* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    160    246     479
    1     0 S   NP   _N1_     1    28.71529    93.89202   -21.11540
    2     1 S   H    _HN1     2     1.02794    88.53342   -83.91744
    3     1 S   H    _H1_     3     1.02956    96.26696    24.24054
    4     1 S   H    _H2_     4     1.02849    27.16117   140.09259
    5     1 S   CT   _CA1     5     1.50096   137.39977   154.15074
    6     5 S   HC   _HA1     6     1.09569   105.31140    52.79723
    7     5 S   CO3  _C1_     7     1.53763   112.06819   -67.51979
    8     7 S   O2Z  _O11     8     1.26409   115.21120   -52.27343
    9     7 S   O2Z  _O12     9     1.26212   115.12005   127.13764
   10     5 S   CT   _CB1    10     1.53138   107.40683   170.68445
   11    10 S   HC   HB11    11     1.09826   109.58932   -49.77862
   12    10 S   HC   HB12    12     1.09819   110.34985    66.78168
   13    10 S   CT   _CG1    13     1.53034   112.61501  -170.77985
   14    13 S   HC   HG11    14     1.09530   110.51183   -58.16436
   15    13 S   HC   HG12    15     1.09630   110.04201    60.97933
   16    13 S   C    _CD1    16     1.51832   112.14268  -178.60170
   17    16 S   O    _OE1    17     1.22731   123.18862    -6.52402
   18    16 S   N    _N2_    18     1.38616   111.74031   173.61570
   19    18 S   H    _HN2    19     1.01579   119.07221     2.21505
   20    18 S   CT1  _CA2    20     1.46295   123.34773  -177.83988
   21    20 S   HC   _HA2    21     1.09731   109.43770    -8.68941
   22    20 S   C    _C2_    22     1.53412   108.46573  -124.46341
   23    22 S   O    _O2_    23     1.23020   122.18550  -145.68066
   24    20 S   CT   _CB2    32     1.53598   111.27983   113.28213
   25    24 S   HC   HB21    33     1.09297   109.12798    57.39693
   26    24 S   HC   HB22    34     1.09497   110.12745   175.81180
   27    22 S   N    _N3_    24     1.38490   113.42256    41.65328
   28    27 S   H    _HN3    25     1.01519   118.93244    -0.60458
   29    24 S   S    _SG2    35     1.83024   111.18575   -64.95289
   30    27 S   CT   _CA3    26     1.45460   123.50333   175.18550
   31    30 S   HC   HA31    27     1.09519   109.32470    22.74287
   32    30 S   HC   HA32    28     1.09499   107.10075   139.75394
   33    29 S   CT   _C11    36     1.88244   102.92741   161.04924
   34    30 S   CO3  _C3_    29     1.52919   113.04792  -100.79898
   35    34 S   O2Z  _O31    30     1.26405   115.37055   -45.29502
   36    34 S   O2Z  _O32    31     1.26350   115.00666   135.62754
   37    33 S   CT   _C8_    37     1.57252   106.20186   169.76223
   38    37 S   HC   _H4_    38     1.10048   107.60683    55.60018
   39    33 S   CT   _C12    56     1.53742   109.13317    48.50618
   40    39 S   HC   _H19    57     1.09542   111.88519   -69.28811
   41    39 S   HC   _H20    58     1.09536   112.18804    51.78545
   42    39 S   HC   _H21    59     1.09418   111.56128   172.13209
   43    33 S   CT   _C13    60     1.55336   107.19666   -70.84089
   44    43 S   HC   _H22    61     1.09499   111.36978    57.81678
   45    43 S   HC   _H23    62     1.09432   110.88403   175.49150
   46    37 S   CO4  _C9_    39     1.53515   115.06381   171.92586
   47    46 S   O    _O33    40     1.22784   124.34631     7.58763
   48    43 S   OS1  _O34    63     1.42908   110.42541   -63.74141
   49    46 S   CT   _C10    41     1.51494   115.16877  -172.15372
   50    49 S   HC   _H17    42     1.09619   107.72593    63.06966
   51    49 S   HC   _H18    43     1.09552   109.40014   179.41852
   52    48 S   CO1  _C14    64     1.42910   112.76176   178.16773
   53    52 S   HC   _H5_    65     1.09703   109.31789   -46.54804
   54    49 S   CT   _C5_    44     1.52950   110.34104   -57.97906
   55    54 S   HC   _H3_    45     1.09771   108.01455   168.68417
   56    52 S   CT   _C15    66     1.53080   108.64844  -164.56727
   57    56 S   HC   _H6_    67     1.09479   110.13501    50.98735
   58    54 S   CT   _C6_    46     1.53651   110.95094    50.63829
   59    58 S   HC   _H13    47     1.09657   110.06590  -174.53862
   60    58 S   HC   _H14    48     1.09780   108.79522    69.21023
   61    54 S   CT   _C4_    52     1.53190   111.22726   -74.32272
   62    61 S   HC   _H10    53     1.09432   112.29368    60.35066
   63    61 S   HC   _H11    54     1.09537   110.48396   -59.87509
   64    61 S   HC   _H12    55     1.09514   110.65188  -178.94575
   65    56 S   CT   _C16    68     1.52930   111.09591   -70.75534
   66    65 S   HC   _H7_    69     1.09700   110.16942    69.94367
   67    56 S   OH5  _O39    84     1.42878   108.43274   168.29368
   68    67 S   HO   _H29    85     0.97467   106.82499  -174.97773
   69    37 S   CT   _C7_    49     1.54572   115.19015   -64.80922
   70    69 S   HC   _H15    50     1.09440   111.19455    54.89681
   71    69 S   HC   _H16    51     1.09599   110.45354   -63.45285
   72    65 S   CT   _C17    70     1.53110   110.85549   -51.46679
   73    72 S   HC   _H8_    71     1.09676   109.37917   -70.18805
   74    65 S   OH5  _O38    82     1.42688   110.14298  -172.41755
   75    74 S   HO   _H28    83     0.97607   107.78196   -57.38294
   76    72 S   CT   _C18    72     1.53432   110.46299    51.59425
   77    76 S   HC   _H9_    73     1.09733   110.52511    65.77539
   78    72 S   OH5  _O37    80     1.42803   109.69732   172.83850
   79    78 S   HO   _H27    81     0.97235   108.07124   -56.22095
   80    52 S   OS1  _O35    74     1.43253   113.11605    72.10537
   81    76 S   CT   _C19    75     1.53047   111.25958  -174.32715
   82    81 S   HC   _H24    76     1.09502   110.94513    70.09677
   83    81 S   HC   _H25    77     1.09399   111.55871   -52.21844
   84    81 S   OH5  _O36    78     1.42476   109.17828  -171.21320
   85    84 S   HO   _H26    79     0.97216   107.06843  -178.64059
  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  13   5   4   3
  18   2   1   1  21   9   9   3   2   1   9   3   2  11   5   8
  12   5   4  13   6  11   8  12   7   9   5   4   4   2   1   1
  13   7   4   1   2   1   1  12   7   3   1   9   6   3   1   4
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    69    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    49    58    69    70    71    39    40    41    42    43    44    45    48    52  
   35    36  
   36  
    0  
   38    46    47    49    50    51    54    58    59    60    69    70    71    39    40    41    42    43    44    45    48  
   46    47    49    58    69    70    71    39    43  
   40    41    42    43    44    45    48    46    69  
   41    42    43  
   42    43  
   43  
   44    45    48    52    53    56    80    46    69  
   45    48    52  
   48    52  
   47    49    50    51    54    55    58    69    70    71    61  
   49    50    51    54    69  
   52    53    56    57    65    76    80    67  
   50    51    54    55    58    59    60    69    61    62    63    64  
   51    54    55    58    61  
   54    55    58    61  
   53    56    57    65    66    72    76    77    80    81    74    67    68  
   56    57    65    76    80    67  
   55    58    59    60    69    70    71    61    62    63    64  
   58    59    60    69    61    62    63    64  
   57    65    66    72    73    76    80    78    74    75    67    68  
   65    66    72    80    74    67    68  
   59    60    69    70    71    61    62    63    64  
   60    69    70    71    61  
   69    70    71    61  
   62    63    64    69  
   63    64  
   64  
    0  
   66    72    73    76    77    80    81    78    79    74    75    67    68  
   72    73    76    78    74    75    67  
   68    72    74    80  
    0  
   70    71  
   71  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   317.000  1.522
   37    69   268.000  1.529
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   335.000  1.422
   48    52   370.000  1.399
   52    53   360.000  1.097
   52    56   255.000  1.525
   52    80   370.000  1.399
   56    57   340.000  1.090
   56    65   268.000  1.529
   56    67   355.000  1.421
   65    66   340.000  1.090
   65    72   268.000  1.529
   65    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   67    68   580.000  0.967
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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    63.00000  111.10000
   33    37    69    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    95.00000  107.88500
   37    46    47    80.00000  120.40000
   37    46    49    70.00000  116.00000
   37    69    58    58.35000  112.70000
   37    69    70    37.50000  110.70000
   37    69    71    37.50000  110.70000
   46    37    38    35.00000  109.50000
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    54    63.00000  111.10000
   49    46    47    80.00000  120.40000
   49    54    55    37.50000  110.70000
   49    54    58    58.35000  112.70000
   49    54    61    58.35000  112.70000
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    69    58.35000  112.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    37.50000  110.70000
   58    54    55    37.50000  110.70000
   58    69    70    37.50000  110.70000
   58    69    71    37.50000  110.70000
   60    58    59    33.00000  107.80000
   69    37    38    37.50000  110.70000
   69    37    46    63.00000  111.10000
   69    58    59    37.50000  110.70000
   69    58    60    37.50000  110.70000
   71    69    70    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    58    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    48    52    90.00000  112.10700
   45    43    44    33.00000  107.80000
   48    43    44    55.00000  108.98800
   48    43    45    55.00000  108.98800
   48    52    53    60.00000  105.75400
   48    52    56    90.00000  109.70700
   48    52    80   110.00000  113.16000
   52    56    57    45.00000  109.54000
   52    56    65    70.00000  111.10000
   52    56    67    90.00000  109.42000
   52    80    76    90.00000  112.10700
   56    52    53    45.00000  111.65000
   56    65    66    37.50000  110.70000
   56    65    72    58.35000  112.70000
   56    65    74    90.00000  111.45300
   56    67    68    65.00000  108.53500
   65    56    57    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    76    58.35000  112.70000
   65    72    78    90.00000  111.45300
   65    74    75    65.00000  108.53500
   72    65    66    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    52    53    60.00000  105.75400
   80    52    56    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    65    66    60.00000  109.39000
   74    65    72    90.00000  111.45300
   67    56    57    60.00000  109.39000
   67    56    65    90.00000  111.45300
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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    37    69   0.44750  1.0 1.0
   29    33    37    69  -0.17800 -1.0 2.0
   29    33    37    69   0.20200  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
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    49   0.60050  1.0 1.0
   33    37    46    49   0.05600 -1.0 2.0
   33    37    46    49   0.26150  1.0 3.0
   33    37    69    58   0.56750  1.0 1.0
   33    37    69    58  -0.07550 -1.0 2.0
   33    37    69    58   0.20000  1.0 3.0
   33    37    69    70   0.15000  1.0 3.0
   33    37    69    71   0.15000  1.0 3.0
   33    43    48    52   0.06250  1.0 1.0
   33    43    48    52  -0.01100 -1.0 2.0
   33    43    48    52   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    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.62750  1.0 1.0
   37    33    43    48  -0.30950 -1.0 2.0
   37    33    43    48   0.27300  1.0 3.0
   37    46    49    50   0.00000  1.0 1.0
   37    46    49    51   0.00000  1.0 1.0
   37    46    49    54   0.60050  1.0 1.0
   37    46    49    54   0.05600 -1.0 2.0
   37    46    49    54   0.26150  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    49   0.00000  1.0 1.0
   38    37    69    58   0.15000  1.0 3.0
   38    37    69    70   0.15000  1.0 3.0
   38    37    69    71   0.15000  1.0 3.0
   46    37    69    58  -0.95700  1.0 1.0
   46    37    69    58  -0.18200 -1.0 2.0
   46    37    69    58   0.29450  1.0 3.0
   46    37    69    70  -0.11250  1.0 3.0
   46    37    69    71  -0.11250  1.0 3.0
   46    49    54    55  -0.11250  1.0 3.0
   46    49   -54    58  -0.95700  1.0 1.0
   46    49   -54    58  -0.18200 -1.0 2.0
   46    49   -54    58   0.29450  1.0 3.0
   46    49    54    61  -0.95700  1.0 1.0
   46    49    54    61  -0.18200 -1.0 2.0
   46    49    54    61   0.29450  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    54   0.30150 -1.0 2.0
   49    54    58    59   0.15000  1.0 3.0
   49    54    58    60   0.15000  1.0 3.0
   49    54    58    69   0.56750  1.0 1.0
   49    54    58    69  -0.07550 -1.0 2.0
   49    54    58    69   0.20000  1.0 3.0
   49    54    61    62   0.15000  1.0 3.0
   49    54    61    63   0.15000  1.0 3.0
   49    54    61    64   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    58   0.15000  1.0 3.0
   50    49    54    61   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    58   0.15000  1.0 3.0
   51    49    54    61   0.15000  1.0 3.0
   54    58   -69    37   0.56750  1.0 1.0
   54    58   -69    37  -0.07550 -1.0 2.0
   54    58   -69    37   0.20000  1.0 3.0
   54    58    69    70   0.15000  1.0 3.0
   54    58    69    71   0.15000  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.15000  1.0 3.0
   55    54    58    69   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   58    54    61    62   0.15000  1.0 3.0
   58    54    61    63   0.15000  1.0 3.0
   58    54    61    64   0.15000  1.0 3.0
   59    58    69    37   0.15000  1.0 3.0
   59    58    69    70   0.15000  1.0 3.0
   59    58    69    71   0.15000  1.0 3.0
   60    58    69    37   0.15000  1.0 3.0
   60    58    69    70   0.15000  1.0 3.0
   60    58    69    71   0.15000  1.0 3.0
   69    37    46    47   0.30150 -1.0 2.0
   69    37   -46    49   0.60050  1.0 1.0
   69    37   -46    49   0.05600 -1.0 2.0
   69    37   -46    49   0.26150  1.0 3.0
   61    54    58    59   0.15000  1.0 3.0
   61    54    58    60   0.15000  1.0 3.0
   61    54    58    69   0.56750  1.0 1.0
   61    54    58    69  -0.07550 -1.0 2.0
   61    54    58    69   0.20000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    37    69   0.56750  1.0 1.0
   39    33    37    69  -0.07550 -1.0 2.0
   39    33    37    69   0.20000  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.62750  1.0 1.0
   39    33    43    48  -0.30950 -1.0 2.0
   39    33    43    48   0.27300  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46  -0.95700  1.0 1.0
   43    33    37    46  -0.18200 -1.0 2.0
   43    33    37    46   0.29450  1.0 3.0
   43    33    37    69   0.56750  1.0 1.0
   43    33    37    69  -0.07550 -1.0 2.0
   43    33    37    69   0.20000  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.37050  1.0 3.0
   43    48    52    56   0.06250  1.0 1.0
   43    48    52    56  -0.01100 -1.0 2.0
   43    48    52    56   0.28050  1.0 3.0
   43    48    52    80  -0.12700  1.0 1.0
   43    48    52    80  -1.16200 -1.0 2.0
   43    48    52    80   0.58800  1.0 3.0
   44    43    48    52   0.37050  1.0 3.0
   45    43    48    52   0.37050  1.0 3.0
   48    52    56    57   0.23400  1.0 3.0
   48    52    56    65   0.62750  1.0 1.0
   48    52    56    65  -0.30950 -1.0 2.0
   48    52    56    65   0.27300  1.0 3.0
   48    52    56    67   1.51850  1.0 1.0
   48    52    80    76  -0.70400  1.0 1.0
   48    52    80    76  -0.90350 -1.0 2.0
   52    56    65    66   0.15000  1.0 3.0
   52    56    65    72   0.56750  1.0 1.0
   52    56    65    72  -0.07550 -1.0 2.0
   52    56    65    72   0.20000  1.0 3.0
   52    56    65    74  -0.47750  1.0 1.0
   52    56    67    68   0.29150  1.0 1.0
   52    56    67    68  -0.28350 -1.0 2.0
   52    56    67    68   0.43600  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    65   0.15000  1.0 3.0
   53    52    56    67   0.23400  1.0 3.0
   53    52    80    76   0.37050  1.0 3.0
   56    52    80    76   0.06250  1.0 1.0
   56    52    80    76  -0.01100 -1.0 2.0
   56    52    80    76   0.28050  1.0 3.0
   56    65    72    73   0.15000  1.0 3.0
   56    65   -72    76   0.56750  1.0 1.0
   56    65   -72    76  -0.07550 -1.0 2.0
   56    65   -72    76   0.20000  1.0 3.0
   56    65    72    78  -0.47750  1.0 1.0
   56    65    74    75   0.29150  1.0 1.0
   56    65    74    75  -0.28350 -1.0 2.0
   56    65    74    75   0.43600  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   57    56    65    72   0.15000  1.0 3.0
   57    56    65    74   0.23400  1.0 3.0
   57    56    67    68   0.19450  1.0 3.0
   65    56    67    68   0.29150  1.0 1.0
   65    56    67    68  -0.28350 -1.0 2.0
   65    56    67    68   0.43600  1.0 3.0
   65    72    76    77   0.15000  1.0 3.0
   65    72    76    80   0.62750  1.0 1.0
   65    72    76    80  -0.30950 -1.0 2.0
   65    72    76    80   0.27300  1.0 3.0
   65    72    76    81   0.56750  1.0 1.0
   65    72    76    81  -0.07550 -1.0 2.0
   65    72    76    81   0.20000  1.0 3.0
   65    72    78    79   0.29150  1.0 1.0
   65    72    78    79  -0.28350 -1.0 2.0
   65    72    78    79   0.43600  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    76   0.15000  1.0 3.0
   66    65    72    78   0.23400  1.0 3.0
   66    65    74    75   0.19450  1.0 3.0
   72    65    74    75   0.29150  1.0 1.0
   72    65    74    75  -0.28350 -1.0 2.0
   72    65    74    75   0.43600  1.0 3.0
   72    76   -80    52   0.06250  1.0 1.0
   72    76   -80    52  -0.01100 -1.0 2.0
   72    76   -80    52   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    52   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    52    56    57   0.23400  1.0 3.0
   80    52   -56    65   0.62750  1.0 1.0
   80    52   -56    65  -0.30950 -1.0 2.0
   80    52   -56    65   0.27300  1.0 3.0
   80    52    56    67   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    52   0.06250  1.0 1.0
   81    76    80    52  -0.01100 -1.0 2.0
   81    76    80    52   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    65    72    73   0.23400  1.0 3.0
   74    65    72    76  -0.47750  1.0 1.0
   74    65    72    78   3.77950  1.0 1.0
   67    56    65    66   0.23400  1.0 3.0
   67    56    65    72  -0.47750  1.0 1.0
   67    56    65    74   3.77950  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    46    47  10.50000 -1.0 2.0
END
