* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    161    224     464
    1     0 S   NP   _N1_     1    29.85768    92.64527   -17.47622
    2     1 S   H    _HN1     2     1.03624   140.69662    84.18726
    3     1 S   H    _H1_     3     1.02822    34.50054   103.26284
    4     1 S   H    _H2_     4     1.02731    85.67107   -27.90603
    5     1 S   CT   _CA1     5     1.50296    97.26813  -139.64035
    6     5 S   HC   _HA1     6     1.09642   105.20981    33.88564
    7     5 S   CO3  _C1_     7     1.54220   111.06546   -83.98956
    8     7 S   O2Z  _O11     8     1.26275   116.18284   -93.27669
    9     7 S   O2Z  _O12     9     1.26429   114.16323    85.04076
   10     5 S   CT   _CB1    10     1.52849   106.72310   150.35570
   11    10 S   HC   HB11    11     1.09861   109.86763   -50.76352
   12    10 S   HC   HB12    12     1.09656   109.68379    64.90078
   13    10 S   CT   _CG1    13     1.53097   113.21204  -171.89068
   14    13 S   HC   HG11    14     1.09524   111.89005   -51.24378
   15    13 S   HC   HG12    15     1.09555   110.59923    68.36778
   16    13 S   C    _CD1    16     1.51422   109.42601  -171.61438
   17    16 S   O    _OE1    17     1.22766   122.06335  -103.66260
   18    16 S   N    _N2_    18     1.38349   112.28129    74.05225
   19    18 S   H    _HN2    19     1.01637   118.97571     8.69972
   20    18 S   CT1  _CA2    20     1.45680   123.40347  -173.06789
   21    20 S   HC   _HA2    21     1.09701   108.90443    18.68369
   22    20 S   C    _C2_    22     1.52665   107.02870   -99.16943
   23    22 S   O    _O2_    23     1.22999   122.82193   -33.00311
   24    20 S   CT   _CB2    32     1.53309   111.56525   141.02570
   25    24 S   HC   HB21    33     1.09607   109.92157    58.95443
   26    24 S   HC   HB22    34     1.09445   110.16670   177.87054
   27    22 S   N    _N3_    24     1.38444   112.76236   149.62934
   28    27 S   H    _HN3    25     1.01637   120.49110    -1.22237
   29    24 S   S    _SG2    35     1.82985   111.05299   -61.19504
   30    27 S   CT   _CA3    26     1.45375   122.36845   178.84208
   31    30 S   HC   HA31    27     1.09565   107.33985   -66.59200
   32    30 S   HC   HA32    28     1.09573   108.09576    49.74270
   33    29 S   CT   _C12    36     1.85114    99.79627   172.99173
   34    33 S   HC   _H16    37     1.09618   106.31868   -19.83512
   35    30 S   CO3  _C3_    29     1.52881   114.43393   171.78193
   36    35 S   O2Z  _O31    30     1.26316   116.10982    -3.44651
   37    35 S   O2Z  _O32    31     1.26458   114.37911   176.71687
   38    33 S   CT   _C11    38     1.54244   109.40997    99.03108
   39    38 S   HC   _H5_    39     1.09718   110.84073    47.74304
   40    38 S   CT   _C10    40     1.53990   112.52638   169.98156
   41    40 S   HC   _H4_    41     1.09629   110.70478    75.32366
   42    38 S   OS   _O44    85     1.43358   107.43725   -71.68503
   43    40 S   CT   _C9_    42     1.53535   112.60698   -49.44108
   44    43 S   HC   _H15    43     1.09698   109.01136   -66.99907
   45    40 S   OH   _O48    83     1.42997   109.51228  -168.74896
   46    45 S   HO   _H20    84     0.97477   108.50101   -43.83164
   47    42 S   P2   _P3_    86     1.63058   121.54616   136.72988
   48    47 S   O2Z  _O47    87     1.51080   109.83309    53.62857
   49    47 S   O2Z  _O45    88     1.51093   108.12249  -172.99394
   50    43 S   CT   _C14    44     1.53192   111.44500    54.29922
   51    50 S   HC   _H7_    45     1.09269   110.16753  -179.22722
   52    43 S   OS   _O38    56     1.43036   108.04722   175.25191
   53    47 S   OS   _O46    89     1.62879   100.09400   -60.59972
   54    53 S   HO   _H19    90     0.97885   116.29965   -82.40637
   55    33 S   CT   _C13    46     1.54138   108.71286  -137.31499
   56    55 S   HC   _H6_    47     1.09830   109.92535   -53.86690
   57    50 S   OH   _O39    54     1.43272   110.65266    65.13613
   58    57 S   HO   _H17    55     0.96962   109.50975   -60.87898
   59    52 S   P2   _P1_    57     1.63509   120.92728   146.82832
   60    59 S   O2Z  _O37    58     1.51372   108.11485  -176.02290
   61    59 S   O2Z  _O36    59     1.51190   109.38136    51.28772
   62    55 S   OS   _O40    48     1.43047   108.89958    65.96985
   63    59 S   OS   _O35    60     1.63375   100.64889   -62.05558
   64    62 S   P2   _P2_    49     1.63079   119.51870  -143.84205
   65    64 S   O2Z  _O43    50     1.51001   109.99876   -64.52143
   66    64 S   O2Z  _O41    51     1.51263   109.68914    70.34270
   67    63 S   CT   _C8_    61     1.42383   119.33558   -69.62783
   68    67 S   HC   _H13    62     1.09461   108.41709   -74.61023
   69    67 S   HC   _H14    63     1.09328   108.97140    43.78556
   70    64 S   OS   _O42    52     1.62931    98.36449  -177.39473
   71    70 S   HO   _H18    53     0.98357   117.12645   -79.87255
   72    67 S   CT   _C7_    64     1.52937   108.34661   165.31482
   73    72 S   HC   _H3_    65     1.09714   109.00656    53.92912
   74    72 S   CT   _C6_    66     1.53049   111.93166   176.38437
   75    74 S   HC   _H11    67     1.09582   110.15853   -62.87746
   76    74 S   HC   _H12    68     1.09564   110.30638   176.15886
   77    72 S   OS   _O49    76     1.44761   107.21253   -63.81830
   78    74 S   OS   _O34    69     1.43880   109.26450    56.85011
   79    77 S   CO4  _C15    77     1.36019   117.93254   155.51782
   80    79 S   O    _O50    78     1.22324   126.40026     0.75069
   81    78 S   CO4  _C5_    70     1.36114   115.94027   175.91673
   82    81 S   O    _O33    71     1.22332   126.25836     1.29860
   83    79 S   CT   _C16    79     1.49855   109.42472  -179.10628
   84    83 S   HC   _H21    80     1.09270   109.87186   -60.03535
   85    83 S   HC   _H22    81     1.09370   109.37679  -179.05560
   86    83 S   HC   _H23    82     1.09294   109.78526    61.86165
   87    81 S   CT   _C4_    72     1.49844   109.50863  -178.78598
   88    87 S   HC   _H8_    73     1.09288   109.82058   -61.87104
   89    87 S   HC   _H9_    74     1.09376   109.36705   179.00535
   90    87 S   HC   _H10    75     1.09306   109.82889    59.99710
  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   8  15   7   3   1   4   3
   2   9   6   7   1   1   8   3   2   1   7   3   2   5   7   4
   3   2  10   5   4   1   1  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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    55    56    62    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    55    56    62    64    57    45    42    47  
   38    39    40    50    55    56    62    42  
   36    37  
   37  
    0  
   39    40    41    43    44    50    55    56    62    52    45    46    42    47    48    49    53  
   40    41    43    55    45    42    47  
   41    43    44    50    51    55    57    52    59    45    46    42    47  
   43    44    50    52    45    46    42  
   47    48    49    53    54    43    45    55  
   44    50    51    55    56    62    57    58    52    59    60    61    63    45    46  
   50    51    55    57    52    59    45  
   46    50    52  
    0  
   48    49    53    54  
   49    53    54  
   53    54  
   51    55    56    62    64    57    58    52    59  
   55    56    62    57    58    52  
   59    60    61    63    67    55    57  
   54  
    0  
   56    62    64    65    66    70    57    58  
   62    64    57  
   58    62  
    0  
   60    61    63    67    68    69    72  
   61    63    67  
   63    67  
   64    65    66    70    71  
   67    68    69    72    73    74    77  
   65    66    70    71  
   66    70    71  
   70    71  
   68    69    72    73    74    75    76    78    77    79  
   69    72    73    74    77  
   72    73    74    77  
   71  
    0  
   73    74    75    76    78    81    77    79    80    83  
   74    75    76    78    77    79  
   75    76    78    81    82    87    77    79  
   76    78    81    77  
   78    81    77  
   79    80    83    84    85    86    78  
   81    82    87    88    89    90  
   80    83    84    85    86  
   83    84    85    86  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   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  -0.335000   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  -0.610000   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   1.662500   2.1070   1.8700   0.005000000   0.000000000
   48   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   49   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   53   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7400   0.2000   1.760000   2.1070   1.8700   0.005000000   0.000000000
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   63   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.7400   0.2000   1.662500   2.1070   1.8700   0.005000000   0.000000000
   65   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   66   2.9800   0.2000  -0.970000   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   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   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    55   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    50   268.000  1.529
   43    52   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   320.000  1.410
   55    56   340.000  1.090
   55    62   320.000  1.410
   62    64   230.000  1.697
   64    65   525.000  1.480
   64    66   525.000  1.480
   64    70   230.000  1.697
   70    71   553.000  0.945
   57    58   553.000  0.945
   52    59   230.000  1.697
   59    60   525.000  1.480
   59    61   525.000  1.480
   59    63   230.000  1.697
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   320.000  1.410
   78    81   214.000  1.327
   81    82   570.000  1.229
   81    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    79   214.000  1.327
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   45    46   553.000  0.945
   42    47   230.000  1.697
   47    48   525.000  1.480
   47    49   525.000  1.480
   47    53   230.000  1.697
   53    54   553.000  0.945
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    55    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    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    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   100.00000  120.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    50    58.35000  112.70000
   40    43    52    50.00000  109.50000
   40    45    46    55.00000  108.50000
   43    40    41    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    55    58.35000  112.70000
   43    50    57    50.00000  109.50000
   43    52    59   100.00000  120.50000
   50    43    44    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    62    50.00000  109.50000
   50    57    58    55.00000  108.50000
   55    33    34    37.50000  110.70000
   55    33    38    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    62    64   100.00000  120.50000
   62    55    56    35.00000  109.50000
   62    64    65   100.00000  108.23000
   62    64    66   100.00000  108.23000
   62    64    70    45.00000  102.60000
   64    70    71    45.00000  108.50000
   66    64    65   140.00000  119.90000
   70    64    65   100.00000  108.23000
   70    64    66   100.00000  108.23000
   57    50    51    35.00000  109.50000
   57    50    55    50.00000  109.50000
   52    43    44    35.00000  109.50000
   52    43    50    50.00000  109.50000
   52    59    60   100.00000  108.23000
   52    59    61   100.00000  108.23000
   52    59    63    45.00000  102.60000
   59    63    67   100.00000  120.50000
   61    59    60   140.00000  119.90000
   63    59    60   100.00000  108.23000
   63    59    61   100.00000  108.23000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    72    50.00000  109.50000
   67    72    73    37.50000  110.70000
   67    72    74    58.35000  112.70000
   67    72    77    50.00000  109.50000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    78    50.00000  109.50000
   72    77    79    83.00000  116.90000
   74    72    73    37.50000  110.70000
   74    78    81    83.00000  116.90000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    81    82    83.00000  123.40000
   78    81    87    81.00000  111.40000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   87    81    82    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    50.00000  109.50000
   77    79    80    83.00000  123.40000
   77    79    83    81.00000  111.40000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   83    79    80    80.00000  120.40000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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  108.23000
   42    47    49   100.00000  108.23000
   42    47    53    45.00000  102.60000
   47    53    54    45.00000  108.50000
   49    47    48   140.00000  119.90000
   53    47    48   100.00000  108.23000
   53    47    49   100.00000  108.23000
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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    62   0.56750  1.0 1.0
   29    33    55    62  -0.07550 -1.0 2.0
   29    33    55    62   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    55    62    64  -2.65550  1.0 1.0
   33    55    62    64  -0.22350 -1.0 2.0
   33    55    62    64   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    55    50   0.15000  1.0 3.0
   34    33    55    56   0.15000  1.0 3.0
   34    33    55    62   0.23400  1.0 3.0
   38    33    55    50   0.56750  1.0 1.0
   38    33    55    50  -0.07550 -1.0 2.0
   38    33    55    50   0.20000  1.0 3.0
   38    33    55    56   0.15000  1.0 3.0
   38    33    55    62   0.62750  1.0 1.0
   38    33    55    62  -0.30950 -1.0 2.0
   38    33    55    62   0.27300  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40   -43    50   0.56750  1.0 1.0
   38    40   -43    50  -0.07550 -1.0 2.0
   38    40   -43    50   0.20000  1.0 3.0
   38    40    43    52   0.62750  1.0 1.0
   38    40    43    52  -0.30950 -1.0 2.0
   38    40    43    52   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    53   0.05050  1.0 1.0
   38    42    47    53  -1.30700 -1.0 2.0
   38    42    47    53   0.91550  1.0 3.0
   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    50    51   0.15000  1.0 3.0
   40    43    50    55   0.56750  1.0 1.0
   40    43    50    55  -0.07550 -1.0 2.0
   40    43    50    55   0.20000  1.0 3.0
   40    43    50    57   0.86500  1.0 1.0
   40    43    50    57  -0.17500 -1.0 2.0
   40    43    50    57   0.20800  1.0 3.0
   40    43    52    59  -2.65550  1.0 1.0
   40    43    52    59  -0.22350 -1.0 2.0
   40    43    52    59   0.24150  1.0 3.0
   41    40    43    44   0.15000  1.0 3.0
   41    40    43    50   0.15000  1.0 3.0
   41    40    43    52   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    50   -55    33   0.56750  1.0 1.0
   43    50   -55    33  -0.07550 -1.0 2.0
   43    50   -55    33   0.20000  1.0 3.0
   43    50    55    56   0.15000  1.0 3.0
   43    50    55    62   0.62750  1.0 1.0
   43    50    55    62  -0.30950 -1.0 2.0
   43    50    55    62   0.27300  1.0 3.0
   43    50    57    58  -0.11600  1.0 1.0
   43    50    57    58  -0.09450 -1.0 2.0
   43    50    57    58   0.21250  1.0 3.0
   43    52    59    60   0.00000  1.0 1.0
   43    52    59    61   0.00000  1.0 1.0
   43    52    59    63   0.05050  1.0 1.0
   43    52    59    63  -1.30700 -1.0 2.0
   43    52    59    63   0.91550  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    55   0.15000  1.0 3.0
   44    43    50    57   0.23400  1.0 3.0
   44    43    52    59   0.03000  1.0 3.0
   50    43    52    59  -2.65550  1.0 1.0
   50    43    52    59  -0.22350 -1.0 2.0
   50    43    52    59   0.24150  1.0 3.0
   50    55    62    64  -2.65550  1.0 1.0
   50    55    62    64  -0.22350 -1.0 2.0
   50    55    62    64   0.24150  1.0 3.0
   51    50    55    33   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    62   0.23400  1.0 3.0
   51    50    57    58   0.19450  1.0 3.0
   55    33    38    39   0.15000  1.0 3.0
   55    33   -38    40   0.56750  1.0 1.0
   55    33   -38    40  -0.07550 -1.0 2.0
   55    33   -38    40   0.20000  1.0 3.0
   55    33    38    42   0.62750  1.0 1.0
   55    33    38    42  -0.30950 -1.0 2.0
   55    33    38    42   0.27300  1.0 3.0
   55    50    57    58  -0.11600  1.0 1.0
   55    50    57    58  -0.09450 -1.0 2.0
   55    50    57    58   0.21250  1.0 3.0
   55    62    64    65   0.00000  1.0 1.0
   55    62    64    66   0.00000  1.0 1.0
   55    62    64    70   0.05050  1.0 1.0
   55    62    64    70  -1.30700 -1.0 2.0
   55    62    64    70   0.91550  1.0 3.0
   56    55    62    64   0.03000  1.0 3.0
   62    64    70    71   0.00000  1.0 1.0
   65    64    70    71   0.00000  1.0 1.0
   66    64    70    71   0.00000  1.0 1.0
   57    50    55    33   0.86500  1.0 1.0
   57    50    55    33  -0.17500 -1.0 2.0
   57    50    55    33   0.20800  1.0 3.0
   57    50    55    56   0.23400  1.0 3.0
   57    50    55    62   3.69350  1.0 1.0
   57    50    55    62  -1.82950 -1.0 2.0
   52    43    50    51   0.23400  1.0 3.0
   52    43    50    55   0.62750  1.0 1.0
   52    43    50    55  -0.30950 -1.0 2.0
   52    43    50    55   0.27300  1.0 3.0
   52    43    50    57   3.69350  1.0 1.0
   52    43    50    57  -1.82950 -1.0 2.0
   52    59    63    67   0.05050  1.0 1.0
   52    59    63    67  -1.30700 -1.0 2.0
   52    59    63    67   0.91550  1.0 3.0
   59    63    67    68   0.03000  1.0 3.0
   59    63    67    69   0.03000  1.0 3.0
   59    63    67    72  -2.65550  1.0 1.0
   59    63    67    72  -0.22350 -1.0 2.0
   59    63    67    72   0.24150  1.0 3.0
   60    59    63    67   0.00000  1.0 1.0
   61    59    63    67   0.00000  1.0 1.0
   63    67    72    73   0.23400  1.0 3.0
   63    67    72    74   0.62750  1.0 1.0
   63    67    72    74  -0.30950 -1.0 2.0
   63    67    72    74   0.27300  1.0 3.0
   63    67    72    77   1.11900  1.0 1.0
   63    67    72    77  -1.16350 -1.0 2.0
   63    67    72    77  -0.34150  1.0 3.0
   67    72    74    75   0.15000  1.0 3.0
   67    72    74    76   0.15000  1.0 3.0
   67    72    74    78   0.62750  1.0 1.0
   67    72    74    78  -0.30950 -1.0 2.0
   67    72    74    78   0.27300  1.0 3.0
   67    72    77    79  -0.25900  1.0 1.0
   67    72    77    79  -0.47000 -1.0 2.0
   67    72    77    79   0.11750  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    77   0.23400  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    77   0.23400  1.0 3.0
   72    74    78    81  -0.25900  1.0 1.0
   72    74    78    81  -0.47000 -1.0 2.0
   72    74    78    81   0.11750  1.0 3.0
   72    77    79    80   3.00000 -1.0 2.0
   72    77    79    83   1.63150  1.0 1.0
   72    77    79    83   2.92000 -1.0 2.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    78   0.23400  1.0 3.0
   73    72    77    79   0.08050  1.0 3.0
   74    72    77    79  -0.25900  1.0 1.0
   74    72    77    79  -0.47000 -1.0 2.0
   74    72    77    79   0.11750  1.0 3.0
   74    78    81    82   3.00000 -1.0 2.0
   74    78    81    87   1.63150  1.0 1.0
   74    78    81    87   2.92000 -1.0 2.0
   75    74    78    81   0.08050  1.0 3.0
   76    74    78    81   0.08050  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    89   0.00000  1.0 1.0
   78    81    87    90   0.00000  1.0 1.0
   82    81    87    88   0.00000  1.0 1.0
   82    81    87    89   0.00000  1.0 1.0
   82    81    87    90   0.00000  1.0 1.0
   77    72    74    75   0.23400  1.0 3.0
   77    72    74    76   0.23400  1.0 3.0
   77    72    74    78   1.11900  1.0 1.0
   77    72    74    78  -1.16350 -1.0 2.0
   77    72    74    78  -0.34150  1.0 3.0
   77    79    83    84   0.00000  1.0 1.0
   77    79    83    85   0.00000  1.0 1.0
   77    79    83    86   0.00000  1.0 1.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    85   0.00000  1.0 1.0
   80    79    83    86   0.00000  1.0 1.0
   45    40    43    44   0.23400  1.0 3.0
   45    40    43    50   0.86500  1.0 1.0
   45    40    43    50  -0.17500 -1.0 2.0
   45    40    43    50   0.20800  1.0 3.0
   45    40    43    52   3.69350  1.0 1.0
   45    40    43    52  -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
   42    47    53    54   0.00000  1.0 1.0
   48    47    53    54   0.00000  1.0 1.0
   49    47    53    54   0.00000  1.0 1.0
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
   78    87    81    82  10.50000 -1.0 2.0
   77    83    79    80  10.50000 -1.0 2.0
END
