* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    165    258     489
    1     0 S   NP   _N1_     1    28.93418    96.18417   -25.42298
    2     1 S   H    _HN1     2     1.02795   118.59462   -99.44625
    3     1 S   H    _H1_     3     1.02947    72.71695     2.47029
    4     1 S   H    _H2_     4     1.02827    34.38333  -179.24204
    5     1 S   CT   _CA1     5     1.50121   124.98005   105.66369
    6     5 S   HC   _HA1     6     1.09574   105.15819    94.96790
    7     5 S   CO3  _C1_     7     1.53761   112.49811   -25.23556
    8     7 S   O2Z  _O11     8     1.26373   115.00493   -42.03336
    9     7 S   O2Z  _O12     9     1.26237   114.94054   137.00606
   10     5 S   CT   _CB1    10     1.53061   107.40962  -147.06154
   11    10 S   HC   HB11    11     1.09842   109.30490   -49.43735
   12    10 S   HC   HB12    12     1.09810   110.48246    67.14969
   13    10 S   CT   _CG1    13     1.53026   112.65401  -170.37780
   14    13 S   HC   HG11    14     1.09568   110.74436   -67.86647
   15    13 S   HC   HG12    15     1.09670   109.68417    51.38534
   16    13 S   C    _CD1    16     1.51812   111.96586   171.86771
   17    16 S   O    _OE1    17     1.22757   123.16939    13.15681
   18    16 S   N    _N2_    18     1.38645   111.85165  -166.85353
   19    18 S   H    _HN2    19     1.01577   118.98149     0.94502
   20    18 S   CT1  _CA2    20     1.46219   123.36167   176.12940
   21    20 S   HC   _HA2    21     1.09739   109.29109     7.38963
   22    20 S   C    _C2_    22     1.53677   108.80513  -108.09143
   23    22 S   O    _O2_    23     1.23080   122.23854  -148.66116
   24    20 S   CT   _CB2    32     1.53309   111.65170   129.41510
   25    24 S   HC   HB21    33     1.09537   110.02924    56.54526
   26    24 S   HC   HB22    34     1.09522   110.10774   175.58705
   27    22 S   N    _N3_    24     1.38311   113.85894    38.82616
   28    27 S   H    _HN3    25     1.01543   119.62453    -3.13325
   29    24 S   S    _SG2    35     1.82696   111.53172   -64.67946
   30    27 S   CT   _CA3    26     1.45286   123.31143   177.23948
   31    30 S   HC   HA31    27     1.09546   107.50109   -65.16262
   32    30 S   HC   HA32    28     1.09554   108.01678    51.30836
   33    29 S   CT   _C20    36     1.82736    99.45796  -176.47386
   34    33 S   HC   _H9_    37     1.09570   108.82546    46.07981
   35    30 S   CO3  _C3_    29     1.52985   114.01561   173.31299
   36    35 S   O2Z  _O31    30     1.26388   116.06791    -0.58081
   37    35 S   O2Z  _O32    31     1.26422   114.42339   179.48224
   38    33 S   CM   _C19    38     1.49483   110.52297   -75.45428
   39    38 S   HC   _H19    39     1.08295   122.67039    74.82846
   40    38 S   CMA  _C18    40     1.34580   113.96481  -105.43627
   41    40 S   OM   _O37    41     1.25841   132.73889   178.74633
   42    40 S   CT   _C17    42     1.56745   110.01676     1.75992
   43    33 S   CT   _C16    43     1.55017   117.18666   170.42201
   44    43 S   HC   _H8_    44     1.10309   102.75927  -159.98278
   45    42 S   CT   _C9_    63     1.57581   113.36991  -139.45656
   46    45 S   HC   _H3_    64     1.09447   107.54837   -52.66649
   47    42 S   CT   _C21    83     1.54604   106.04952    96.73558
   48    47 S   HC   _H20    84     1.08769   113.14666  -153.03969
   49    47 S   HC   _H21    85     1.09267   111.25319    84.68725
   50    47 S   HC   _H22    86     1.09563   112.77616   -33.08827
   51    43 S   CT   _C15    45     1.54247   118.13603   -46.33265
   52    51 S   HC   _H7_    46     1.09459   110.82690    71.77580
   53    45 S   OS   _O34    65     1.46548   106.80421    61.31797
   54    51 S   CT   _C14    47     1.54285   111.57547  -165.86675
   55    54 S   HC   _H17    48     1.09772   110.32588    54.30791
   56    54 S   HC   _H18    49     1.09970   106.67424   168.56699
   57    53 S   CO4  _C8_    66     1.35909   118.78151  -142.31648
   58    57 S   O    _O33    67     1.22222   126.27097    -4.15204
   59    51 S   CT   _C22    79     1.54330   110.96039   -47.16085
   60    59 S   HC   _H23    80     1.09571   111.10619   -57.67107
   61    59 S   HC   _H24    81     1.09584   110.78381  -177.51454
   62    59 S   HC   _H25    82     1.09192   112.47573    63.44729
   63    54 S   CT   _C13    50     1.51988   118.40816   -72.72267
   64    63 S   HC   _H6_    51     1.10117   105.30686  -162.30388
   65    57 S   CM   _C6_    68     1.49478   109.03000   176.68011
   66    63 S   CT   _C10    52     1.52200   119.94797    77.05919
   67    66 S   HC   _H4_    53     1.09967   106.50663    85.99910
   68    65 S   CM   _C5_    69     1.34611   116.01294   160.01683
   69    68 S   HC   _H13    70     1.08932   119.29736    -0.39217
   70    65 S   CT   _C7_    75     1.50023   118.01838   -21.54637
   71    70 S   HC   _H14    76     1.09573   110.49507   -45.48203
   72    70 S   HC   _H15    77     1.09489   110.39641    74.53146
   73    70 S   HC   _H16    78     1.09257   113.02410  -164.43687
   74    66 S   CT   _C11    54     1.53700    99.67726  -163.49450
   75    74 S   HC   _H5_    55     1.09995   108.00520   -78.48892
   76    68 S   CT   _C4_    71     1.49553   127.31022  -179.33060
   77    76 S   HC   _H10    72     1.09425   109.82145  -113.52099
   78    76 S   HC   _H11    73     1.09493   109.41661   128.01693
   79    76 S   HC   _H12    74     1.09174   113.69144     8.14059
   80    74 S   CO4  _C12    56     1.50622   102.79901    32.58251
   81    80 S   O    _O35    57     1.22062   126.36961   161.26323
   82    74 S   CT   _C23    59     1.51620   118.25489   159.49348
   83    82 S   HC   _H26    60     1.09176   112.89692   -67.44514
   84    82 S   HC   _H27    61     1.09599   110.12827   173.79149
   85    82 S   HC   _H28    62     1.09458   110.88184    54.80643
   86    63 S   OS   _O36    58     1.43147   112.32941   -48.37413
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  19   6  20   7   6   2
   1   1  12   8   9  13   6   5  10   3   4   2   1   1   9   5
  10  10   5   9   5   4   2   1   1   8   7   3   2   1   1   6
   2   4   2   1   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    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    59    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    66    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    63    66    67    74    45    46    53    57    59    47    48    49    50  
   44    51    52    54    55    56    63    66    45    46    53    59    60    61    62    47    48    49    50  
   51    52    54    45    59    47  
   46    53    57    58    65    47    48    49    50    51    54    63    64    66    67    74    75    80    82    86  
   53    57    47    63    66    67    74  
   48    49    50    51    53    66  
   49    50  
   50  
    0  
   52    54    55    56    63    64    66    86    59    60    61    62  
   54    55    56    63    59    60    61    62  
   57    58    65    68    70    63    66    67    74  
   55    56    63    64    66    67    74    80    86    59    60    61    62  
   56    63    64    66    86    59  
   63    64    66    86    59  
   58    65    68    69    76    70    71    72    73    66  
   65    68    70  
   60    61    62    63  
   61    62  
   62  
    0  
   64    66    67    74    75    80    81    86    82  
   66    67    74    80    86  
   68    69    76    77    78    79    70    71    72    73  
   67    74    75    80    81    86    82    83    84    85  
   74    75    80    86    82  
   69    76    77    78    79    70    71    72    73  
   76    77    78    79    70  
   71    72    73    76  
   72    73  
   73  
    0  
   75    80    81    86    82    83    84    85  
   80    81    86    82    83    84    85  
   77    78    79  
   78    79  
   79  
    0  
   81    86    82    83    84    85  
   86    82  
   83    84    85    86  
   84    85  
   85  
    0  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   317.000  1.510
   33    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    59   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    86   320.000  1.410
   66    67   340.000  1.090
   66    74   268.000  1.529
   66    45   268.000  1.529
   74    75   340.000  1.090
   74    80   317.000  1.522
   74    82   268.000  1.529
   80    81   570.000  1.229
   80    86   214.000  1.327
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    57   214.000  1.327
   57    58   570.000  1.229
   57    65   320.000  1.462
   65    68   549.000  1.340
   65    70   317.000  1.510
   68    69   340.000  1.080
   68    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    66    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    59    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    66    58.35000  112.70000
   54    63    86    50.00000  109.50000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    74    58.35000  112.70000
   63    66    45    58.35000  112.70000
   63    86    80    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    80    63.00000  111.10000
   66    74    82    58.35000  112.70000
   66    45    46    37.50000  110.70000
   66    45    53    50.00000  109.50000
   74    66    67    37.50000  110.70000
   74    80    81    80.00000  120.40000
   74    80    86    81.00000  111.40000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   80    74    75    35.00000  109.50000
   86    63    64    35.00000  109.50000
   86    63    66    50.00000  109.50000
   86    80    81    83.00000  123.40000
   82    74    75    37.50000  110.70000
   82    74    80    63.00000  111.10000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   45    42    43    58.35000  112.70000
   45    66    67    37.50000  110.70000
   45    66    74    58.35000  112.70000
   45    53    57    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    57    58    83.00000  123.40000
   53    57    65    90.00000  111.29400
   57    65    68    65.00000  118.96000
   57    65    70    65.00000  116.34900
   65    57    58    80.00000  123.72100
   65    68    69    35.00000  120.00000
   65    68    76    70.00000  124.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    79    35.00000  109.50000
   76    68    69    35.00000  117.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   70    65    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    54    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    59   0.56750  1.0 1.0
   33    43    51    59  -0.07550 -1.0 2.0
   33    43    51    59   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    66   0.34400  1.0 1.0
   40    42    45    66   0.09450 -1.0 2.0
   40    42    45    66   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    59   0.56750  1.0 1.0
   42    43    51    59  -0.07550 -1.0 2.0
   42    43    51    59   0.20000  1.0 3.0
   42    45    53    57  -0.25900  1.0 1.0
   42    45    53    57  -0.47000 -1.0 2.0
   42    45    53    57   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    66   0.56750  1.0 1.0
   43    42    45    66  -0.07550 -1.0 2.0
   43    42    45    66   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    56   0.15000  1.0 3.0
   43    51    54    63   0.56750  1.0 1.0
   43    51    54    63  -0.07550 -1.0 2.0
   43    51    54    63   0.20000  1.0 3.0
   43    51    59    60   0.15000  1.0 3.0
   43    51    59    61   0.15000  1.0 3.0
   43    51    59    62   0.15000  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    59   0.15000  1.0 3.0
   51    54    63    64   0.15000  1.0 3.0
   51    54    63    66   0.56750  1.0 1.0
   51    54    63    66  -0.07550 -1.0 2.0
   51    54    63    66   0.20000  1.0 3.0
   51    54    63    86   0.62750  1.0 1.0
   51    54    63    86  -0.30950 -1.0 2.0
   51    54    63    86   0.27300  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    63   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   54    51    59    60   0.15000  1.0 3.0
   54    51    59    61   0.15000  1.0 3.0
   54    51    59    62   0.15000  1.0 3.0
   54    63    66    67   0.15000  1.0 3.0
   54    63    66    74   0.56750  1.0 1.0
   54    63    66    74  -0.07550 -1.0 2.0
   54    63    66    74   0.20000  1.0 3.0
   54    63    66    45   0.56750  1.0 1.0
   54    63    66    45  -0.07550 -1.0 2.0
   54    63    66    45   0.20000  1.0 3.0
   54    63    86    80  -0.25900  1.0 1.0
   54    63    86    80  -0.47000 -1.0 2.0
   54    63    86    80   0.11750  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    66   0.15000  1.0 3.0
   55    54    63    86   0.23400  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
   56    54    63    86   0.23400  1.0 3.0
   63    66    74    75   0.15000  1.0 3.0
   63    66   -74    80  -0.95700  1.0 1.0
   63    66   -74    80  -0.18200 -1.0 2.0
   63    66   -74    80   0.29450  1.0 3.0
   63    66    74    82   0.56750  1.0 1.0
   63    66    74    82  -0.07550 -1.0 2.0
   63    66    74    82   0.20000  1.0 3.0
   63    66    45    42   0.56750  1.0 1.0
   63    66    45    42  -0.07550 -1.0 2.0
   63    66    45    42   0.20000  1.0 3.0
   63    66    45    46   0.15000  1.0 3.0
   63    66    45    53   0.62750  1.0 1.0
   63    66    45    53  -0.30950 -1.0 2.0
   63    66    45    53   0.27300  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    74   0.15000  1.0 3.0
   64    63    66    45   0.15000  1.0 3.0
   64    63    86    80   0.08050  1.0 3.0
   66    63   -86    80  -0.25900  1.0 1.0
   66    63   -86    80  -0.47000 -1.0 2.0
   66    63   -86    80   0.11750  1.0 3.0
   66    74    80    81   0.30150 -1.0 2.0
   66    74   -80    86   0.36750  1.0 3.0
   66    74    82    83   0.15000  1.0 3.0
   66    74    82    84   0.15000  1.0 3.0
   66    74    82    85   0.15000  1.0 3.0
   66    45    53    57  -0.25900  1.0 1.0
   66    45    53    57  -0.47000 -1.0 2.0
   66    45    53    57   0.11750  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    80  -0.11250  1.0 3.0
   67    66    74    82   0.15000  1.0 3.0
   67    66    45    42   0.15000  1.0 3.0
   67    66    45    46   0.15000  1.0 3.0
   67    66    45    53   0.23400  1.0 3.0
   74    66    45    42   0.56750  1.0 1.0
   74    66    45    42  -0.07550 -1.0 2.0
   74    66    45    42   0.20000  1.0 3.0
   74    66    45    46   0.15000  1.0 3.0
   74    66    45    53   0.62750  1.0 1.0
   74    66    45    53  -0.30950 -1.0 2.0
   74    66    45    53   0.27300  1.0 3.0
   74    80   -86    63   1.63150  1.0 1.0
   74    80   -86    63   2.92000 -1.0 2.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    86   0.00000  1.0 1.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   80    74    82    83  -0.11250  1.0 3.0
   80    74    82    84  -0.11250  1.0 3.0
   80    74    82    85  -0.11250  1.0 3.0
   81    80    86    63   3.00000 -1.0 2.0
   86    63    66    67   0.23400  1.0 3.0
   86    63   -66    74   0.62750  1.0 1.0
   86    63   -66    74  -0.30950 -1.0 2.0
   86    63   -66    74   0.27300  1.0 3.0
   86    63    66    45   0.62750  1.0 1.0
   86    63    66    45  -0.30950 -1.0 2.0
   86    63    66    45   0.27300  1.0 3.0
   82    74    80    81   0.30150 -1.0 2.0
   82    74    80    86   0.36750  1.0 3.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    66    74    75   0.15000  1.0 3.0
   45    66    74    80  -0.95700  1.0 1.0
   45    66    74    80  -0.18200 -1.0 2.0
   45    66    74    80   0.29450  1.0 3.0
   45    66    74    82   0.56750  1.0 1.0
   45    66    74    82  -0.07550 -1.0 2.0
   45    66    74    82   0.20000  1.0 3.0
   45    53    57    58   3.00000 -1.0 2.0
   45    53    57    65   2.00000 -1.0 2.0
   46    45    53    57   0.08050  1.0 3.0
   53    57    65    68  -0.56150  1.0 1.0
   53    57    65    68   2.19150 -1.0 2.0
   53    57    65    70  -0.15000  1.0 1.0
   53    57    65    70   0.89550 -1.0 2.0
   53    57    65    70  -0.06900  1.0 3.0
   57    65    68    69   7.00000 -1.0 2.0
   57    65    68    76   7.00000 -1.0 2.0
   57    65    70    71   0.15000  1.0 3.0
   57    65    70    72   0.15000  1.0 3.0
   57    65    70    73   0.15000  1.0 3.0
   58    57    65    68   1.00000 -1.0 2.0
   58    57    65    70  -0.64400  1.0 1.0
   58    57    65    70   0.26850 -1.0 2.0
   65    68    76    77   0.00000  1.0 1.0
   65    68    76    78   0.00000  1.0 1.0
   65    68    76    79   0.00000  1.0 1.0
   68    65    70    71   0.00000  1.0 1.0
   68    65    70    72   0.00000  1.0 1.0
   68    65    70    73   0.00000  1.0 1.0
   69    68    76    77   0.33100  1.0 3.0
   69    68    76    78   0.33100  1.0 3.0
   69    68    76    79   0.33100  1.0 3.0
   70    65    68    69   7.00000 -1.0 2.0
   70    65    68    76   7.00000 -1.0 2.0
   59    51    54    55   0.15000  1.0 3.0
   59    51    54    56   0.15000  1.0 3.0
   59    51    54    63   0.56750  1.0 1.0
   59    51    54    63  -0.07550 -1.0 2.0
   59    51    54    63   0.20000  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    66   0.56750  1.0 1.0
   47    42    45    66  -0.07550 -1.0 2.0
   47    42    45    66   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   74    86    80    81  10.50000 -1.0 2.0
   53    65    57    58  10.50000 -1.0 2.0
   57    70    65    68  15.00000 -1.0 2.0
   76    69    68    65  15.00000 -1.0 2.0
END
