* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    169    260     502
    1     0 S   NP   _N1_     1    28.78941    95.20169   -22.21356
    2     1 S   H    _HN1     2     1.02784    96.99929   -76.35850
    3     1 S   H    _H1_     3     1.02952    76.48402    30.90468
    4     1 S   H    _H2_     4     1.02829    38.17813   173.47748
    5     1 S   CT   _CA1     5     1.50116   144.73784   137.21461
    6     5 S   HC   _HA1     6     1.09573   105.20043    82.23424
    7     5 S   CO3  _C1_     7     1.53781   112.45659   -37.99087
    8     7 S   O2Z  _O11     8     1.26369   115.00536   -42.57403
    9     7 S   O2Z  _O12     9     1.26240   114.94192   136.55326
   10     5 S   CT   _CB1    10     1.53072   107.41596  -159.80107
   11    10 S   HC   HB11    11     1.09835   109.34784   -49.97617
   12    10 S   HC   HB12    12     1.09816   110.44189    66.60630
   13    10 S   CT   _CG1    13     1.53006   112.64253  -170.98579
   14    13 S   HC   HG11    14     1.09581   110.60738   -65.61232
   15    13 S   HC   HG12    15     1.09666   109.82376    53.64884
   16    13 S   C    _CD1    16     1.51794   112.19238   174.05911
   17    16 S   O    _OE1    17     1.22691   123.15423     5.75428
   18    16 S   N    _N2_    18     1.38590   111.68858  -174.33891
   19    18 S   H    _HN2    19     1.01585   118.82483     1.01182
   20    18 S   CT1  _CA2    20     1.46219   123.63464   177.44204
   21    20 S   HC   _HA2    21     1.09541   109.10230    -2.92041
   22    20 S   C    _C2_    22     1.53260   108.09208  -117.38343
   23    22 S   O    _O2_    23     1.22978   122.65400  -141.74573
   24    20 S   CT   _CB2    32     1.53243   111.38401   119.48657
   25    24 S   HC   HB21    33     1.09608   110.13021    48.79893
   26    24 S   HC   HB22    34     1.09522   111.82990   167.45403
   27    22 S   N    _N3_    24     1.38417   113.08754    46.02202
   28    27 S   H    _HN3    25     1.01625   119.53993    -4.35959
   29    24 S   S    _SG2    35     1.82826   112.02587   -70.88871
   30    27 S   CT   _CA3    26     1.45236   123.17659   175.66858
   31    30 S   HC   HA31    27     1.09559   107.73380   -57.92803
   32    30 S   HC   HA32    28     1.09547   107.74053    58.50730
   33    29 S   CT   _C7_    36     1.81930    99.09233   -81.68813
   34    33 S   HC   _H9_    37     1.09502   108.55031   -84.96805
   35    33 S   HC   _H10    38     1.09181   110.59490    31.94632
   36    30 S   CO3  _C3_    29     1.52928   114.04444  -179.65452
   37    36 S   O2Z  _O31    30     1.26374   116.03932    -0.41918
   38    36 S   O2Z  _O32    31     1.26417   114.41952   179.61184
   39    33 S   CM   _C6_    39     1.49877   109.74419   155.85244
   40    39 S   HC   _H8_    40     1.08937   114.91073    74.04260
   41    39 S   CM   _C5_    41     1.34838   126.71051  -108.66577
   42    41 S   CT   _C4_    42     1.50519   120.61910  -177.78062
   43    42 S   HC   _H5_    43     1.09457   110.43431   121.10787
   44    42 S   HC   _H6_    44     1.09490   110.27546  -118.92641
   45    42 S   HC   _H7_    45     1.09513   112.30516     1.05647
   46    41 S   CT   _C8_    46     1.51409   123.98948     3.77626
   47    46 S   HC   _H11    47     1.09327   109.58085    30.16214
   48    46 S   HC   _H12    48     1.09748   109.29954   145.07156
   49    46 S   CT   _C9_    49     1.53750   112.13387   -92.92657
   50    49 S   HC   _H13    50     1.09518   107.22740   -57.03942
   51    49 S   HC   _H14    51     1.09548   109.15706    58.12013
   52    49 S   CT   _C10    52     1.55401   113.62236  -177.65765
   53    52 S   HC   _H3_    53     1.10035   105.29217    61.16686
   54    52 S   CM   _C11    54     1.52499   111.39532   -56.45807
   55    54 S   CT   _C13    55     1.50451   115.98905   -72.98977
   56    55 S   HC   _H17    56     1.09646   109.13950    68.01789
   57    55 S   HC   _H18    57     1.09643   111.28584  -175.01756
   58    54 S   CM   _C12    86     1.34254   122.26301   109.04498
   59    58 S   HC   _H15    87     1.08476   121.38130    -1.35898
   60    58 S   HC   _H16    88     1.08520   121.45969   179.03025
   61    55 S   CT   _C14    58     1.53048   111.73766   -53.24013
   62    61 S   HC   _H19    59     1.09483   107.48221   172.95296
   63    61 S   HC   _H20    60     1.09530   109.24886   -72.16315
   64    61 S   CT   _C15    61     1.54721   112.28285    51.12546
   65    64 S   HC   _H4_    62     1.10046   105.01249    58.62212
   66    52 S   CT   _C16    63     1.59052   115.29904   178.87674
   67    66 S   CT   _C17    64     1.55050   111.24334   -49.55838
   68    67 S   HC   _H21    65     1.09517   110.40195    54.39939
   69    67 S   HC   _H22    66     1.09694   110.20863   -63.04219
   70    66 S   CT   _C23    82     1.55750   106.10804  -166.38508
   71    70 S   HC   _H33    83     1.09310   112.99160   -69.22813
   72    70 S   HC   _H34    84     1.08853   113.53530   168.41109
   73    70 S   HC   _H35    85     1.09730   110.35212    50.43778
   74    67 S   CT   _C18    67     1.52745   113.50678   173.79335
   75    74 S   HC   _H23    68     1.09381   111.41705    66.12268
   76    74 S   HC   _H24    69     1.09693   108.79673  -177.53018
   77    74 S   CT   _C19    70     1.52396   111.14883   -57.71348
   78    77 S   HC   _H25    71     1.09760   108.99355   179.74056
   79    77 S   HC   _H26    72     1.09893   107.79706   -65.74992
   80    64 S   CT   _C20    73     1.57413   114.07854   171.41069
   81    80 S   CT   _C21    74     1.55273   109.49226   -64.50024
   82    81 S   HC   _H27    75     1.09455   111.99157    68.83381
   83    81 S   HC   _H28    76     1.09576   111.38952   -52.16059
   84    81 S   HC   _H29    77     1.09666   111.00099  -171.70289
   85    80 S   CT   _C22    78     1.54074   114.53371    54.42597
   86    85 S   HC   _H30    79     1.09434   111.85365   -54.94947
   87    85 S   HC   _H31    80     1.09728   110.52013  -173.64989
   88    85 S   HC   _H32    81     1.08847   113.35988    67.59203
  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   6   5   4   3
   7   4   3   2   1   1  10   3  11   7   3   2   1   9   5   4
  11   5   4  21   7  13  12   6   5   4   1   1  11   5   4  22
   7  14  13   6   5   5   2   1   1   8   5   4  11   4   3   8
   7   3   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46  
   35    39    40    41  
   39    40    41  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49  
   41    42    46  
   42    43    44    45    46    47    48    49    50    51    52  
   43    44    45    46    47    48    49  
   44    45    46  
   45    46  
   46  
   47    48    49    50    51    52    53    54    66  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    55    64    66    67    70    58  
   51    52    53    54    66  
   52    53    54    66  
   53    54    55    56    57    61    64    65    66    67    68    69    74    80    70    71    72    73    58    59    60  
   54    55    64    66    67    70    58  
   55    56    57    61    62    63    64    66    67    70    58    59    60  
   56    57    61    62    63    64    65    66    80    58    59    60  
   57    61    62    63    64    58  
   61    62    63    64    58  
   59    60    61    66  
   60  
    0  
   62    63    64    65    66    67    77    80    81    85    70  
   63    64    65    66    80  
   64    65    66    80  
   65    66    67    68    69    74    77    78    79    80    81    82    83    84    85    86    87    88    70    71    72    73  
   66    67    77    80    81    85    70  
   67    68    69    74    75    76    77    80    81    85    70    71    72    73  
   68    69    74    75    76    77    78    79    80    70    71    72    73  
   69    74    75    76    77    70  
   74    75    76    77    70  
   71    72    73    74    80  
   72    73  
   73  
    0  
   75    76    77    78    79    80    81    85  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80    81    82    83    84    85    86    87    88  
   79    80    81    85  
   80    81    85  
   81    82    83    84    85    86    87    88  
   82    83    84    85    86    87    88  
   83    84    85  
   84    85  
   85  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   340.000  1.080
   39    41   549.000  1.340
   41    42   317.000  1.510
   41    46   317.000  1.510
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    66   268.000  1.529
   54    55   317.000  1.510
   54    58   549.000  1.340
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    80   268.000  1.529
   66    67   268.000  1.529
   66    70   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   268.000  1.529
   80    85   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   58    59   340.000  1.080
   58    60   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    35.00000  117.00000
   33    39    41    70.00000  124.00000
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    41    42    70.00000  124.00000
   39    41    46    70.00000  124.00000
   41    39    40    35.00000  120.00000
   41    42    43    35.00000  109.50000
   41    42    44    35.00000  109.50000
   41    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    49    70.00000  112.02700
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    41    42    65.00000  117.92700
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    70.00000  112.02700
   49    52    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    54    55    65.00000  117.92700
   52    54    58    70.00000  124.00000
   52    66    64    58.35000  112.70000
   52    66    67    58.35000  112.70000
   52    66    70    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    61    70.00000  112.02700
   54    58    59    35.00000  120.00000
   54    58    60    35.00000  120.00000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    64    58.35000  112.70000
   57    55    56    33.00000  107.80000
   61    55    56    37.50000  110.70000
   61    55    57    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    80    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    67    58.35000  112.70000
   64    66    70    58.35000  112.70000
   64    80    77    58.35000  112.70000
   64    80    81    58.35000  112.70000
   64    80    85    58.35000  112.70000
   66    52    53    37.50000  110.70000
   66    52    54    70.00000  112.02700
   66    64    65    37.50000  110.70000
   66    67    68    37.50000  110.70000
   66    67    69    37.50000  110.70000
   66    67    74    58.35000  112.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    80    81    58.35000  112.70000
   77    80    85    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    64    65    37.50000  110.70000
   80    64    66    58.35000  112.70000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    81    82    37.50000  110.70000
   80    81    83    37.50000  110.70000
   80    81    84    37.50000  110.70000
   80    85    86    37.50000  110.70000
   80    85    87    37.50000  110.70000
   80    85    88    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   85    80    81    58.35000  112.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   70    66    67    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   58    54    55    70.00000  124.00000
   60    58    59    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.00000  1.0 1.0
   29    33    39    41   0.42700  1.0 1.0
   29    33    39    41  -0.70350 -1.0 2.0
   29    33    39    41  -0.43150  1.0 3.0
   33    39    41    42   7.00000 -1.0 2.0
   33    39    41    46   7.00000 -1.0 2.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    41   0.00000  1.0 1.0
   35    33    39    40   0.33100  1.0 3.0
   35    33    39    41   0.00000  1.0 1.0
   39    41    42    43   0.00000  1.0 1.0
   39    41    42    44   0.00000  1.0 1.0
   39    41    42    45   0.00000  1.0 1.0
   39    41    46    47   0.00000  1.0 1.0
   39    41    46    48   0.00000  1.0 1.0
   39    41    46    49   0.09850  1.0 1.0
   39    41    46    49   0.15250 -1.0 2.0
   39    41    46    49  -0.50650  1.0 3.0
   40    39    41    42   7.00000 -1.0 2.0
   40    39    41    46   7.00000 -1.0 2.0
   41    46    49    50   0.15000  1.0 3.0
   41    46    49    51   0.15000  1.0 3.0
   41    46    49    52   0.34400  1.0 1.0
   41    46    49    52   0.09450 -1.0 2.0
   41    46    49    52   0.11100  1.0 3.0
   42    41    46    47   0.34800  1.0 3.0
   42    41    46    48   0.34800  1.0 3.0
   42    41    46    49   0.46850  1.0 1.0
   42    41    46    49   0.08550 -1.0 2.0
   42    41    46    49   0.09800  1.0 3.0
   46    41    42    43   0.34800  1.0 3.0
   46    41    42    44   0.34800  1.0 3.0
   46    41    42    45   0.34800  1.0 3.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.34400  1.0 1.0
   46    49    52    54   0.09450 -1.0 2.0
   46    49    52    54   0.11100  1.0 3.0
   46    49    52    66   0.56750  1.0 1.0
   46    49    52    66  -0.07550 -1.0 2.0
   46    49    52    66   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    54    55   0.46850  1.0 1.0
   49    52    54    55   0.08550 -1.0 2.0
   49    52    54    55   0.09800  1.0 3.0
   49    52    54    58   0.09850  1.0 1.0
   49    52    54    58   0.15250 -1.0 2.0
   49    52    54    58  -0.50650  1.0 3.0
   49    52    66    64   0.56750  1.0 1.0
   49    52    66    64  -0.07550 -1.0 2.0
   49    52    66    64   0.20000  1.0 3.0
   49    52    66    67   0.56750  1.0 1.0
   49    52    66    67  -0.07550 -1.0 2.0
   49    52    66    67   0.20000  1.0 3.0
   49    52    66    70   0.56750  1.0 1.0
   49    52    66    70  -0.07550 -1.0 2.0
   49    52    66    70   0.20000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    66   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    66   0.15000  1.0 3.0
   52    54    55    56   0.34800  1.0 3.0
   52    54    55    57   0.34800  1.0 3.0
   52    54    55    61   0.46850  1.0 1.0
   52    54    55    61   0.08550 -1.0 2.0
   52    54    55    61   0.09800  1.0 3.0
   52    54    58    59   7.00000 -1.0 2.0
   52    54    58    60   7.00000 -1.0 2.0
   52    66    67    68   0.15000  1.0 3.0
   52    66    67    69   0.15000  1.0 3.0
   52    66    67    74   0.56750  1.0 1.0
   52    66    67    74  -0.07550 -1.0 2.0
   52    66    67    74   0.20000  1.0 3.0
   52    66    70    71   0.15000  1.0 3.0
   52    66    70    72   0.15000  1.0 3.0
   52    66    70    73   0.15000  1.0 3.0
   53    52    54    55   0.34800  1.0 3.0
   53    52    54    58   0.00000  1.0 1.0
   53    52    66    64   0.15000  1.0 3.0
   53    52    66    67   0.15000  1.0 3.0
   53    52    66    70   0.15000  1.0 3.0
   54    52    66    64   0.34400  1.0 1.0
   54    52    66    64   0.09450 -1.0 2.0
   54    52    66    64   0.11100  1.0 3.0
   54    52    66    67   0.34400  1.0 1.0
   54    52    66    67   0.09450 -1.0 2.0
   54    52    66    67   0.11100  1.0 3.0
   54    52    66    70   0.34400  1.0 1.0
   54    52    66    70   0.09450 -1.0 2.0
   54    52    66    70   0.11100  1.0 3.0
   54    55    61    62   0.15000  1.0 3.0
   54    55    61    63   0.15000  1.0 3.0
   54    55   -61    64   0.34400  1.0 1.0
   54    55   -61    64   0.09450 -1.0 2.0
   54    55   -61    64   0.11100  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    60   7.00000 -1.0 2.0
   55    61    64    65   0.15000  1.0 3.0
   55    61    64    66   0.56750  1.0 1.0
   55    61    64    66  -0.07550 -1.0 2.0
   55    61    64    66   0.20000  1.0 3.0
   55    61    64    80   0.56750  1.0 1.0
   55    61    64    80  -0.07550 -1.0 2.0
   55    61    64    80   0.20000  1.0 3.0
   56    55    61    62   0.15000  1.0 3.0
   56    55    61    63   0.15000  1.0 3.0
   56    55    61    64   0.15000  1.0 3.0
   57    55    61    62   0.15000  1.0 3.0
   57    55    61    63   0.15000  1.0 3.0
   57    55    61    64   0.15000  1.0 3.0
   61    64   -66    52   0.56750  1.0 1.0
   61    64   -66    52  -0.07550 -1.0 2.0
   61    64   -66    52   0.20000  1.0 3.0
   61    64    66    67   0.56750  1.0 1.0
   61    64    66    67  -0.07550 -1.0 2.0
   61    64    66    67   0.20000  1.0 3.0
   61    64    66    70   0.56750  1.0 1.0
   61    64    66    70  -0.07550 -1.0 2.0
   61    64    66    70   0.20000  1.0 3.0
   61    64    80    77   0.56750  1.0 1.0
   61    64    80    77  -0.07550 -1.0 2.0
   61    64    80    77   0.20000  1.0 3.0
   61    64    80    81   0.56750  1.0 1.0
   61    64    80    81  -0.07550 -1.0 2.0
   61    64    80    81   0.20000  1.0 3.0
   61    64    80    85   0.56750  1.0 1.0
   61    64    80    85  -0.07550 -1.0 2.0
   61    64    80    85   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    80   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    80   0.15000  1.0 3.0
   64    66    67    68   0.15000  1.0 3.0
   64    66    67    69   0.15000  1.0 3.0
   64    66    67    74   0.56750  1.0 1.0
   64    66    67    74  -0.07550 -1.0 2.0
   64    66    67    74   0.20000  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66    70    72   0.15000  1.0 3.0
   64    66    70    73   0.15000  1.0 3.0
   64    80    81    82   0.15000  1.0 3.0
   64    80    81    83   0.15000  1.0 3.0
   64    80    81    84   0.15000  1.0 3.0
   64    80    85    86   0.15000  1.0 3.0
   64    80    85    87   0.15000  1.0 3.0
   64    80    85    88   0.15000  1.0 3.0
   65    64    66    52   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    70   0.15000  1.0 3.0
   65    64    80    77   0.15000  1.0 3.0
   65    64    80    81   0.15000  1.0 3.0
   65    64    80    85   0.15000  1.0 3.0
   66    52   -54    55   0.46850  1.0 1.0
   66    52   -54    55   0.08550 -1.0 2.0
   66    52   -54    55   0.09800  1.0 3.0
   66    52    54    58   0.09850  1.0 1.0
   66    52    54    58   0.15250 -1.0 2.0
   66    52    54    58  -0.50650  1.0 3.0
   66    64    80    77   0.56750  1.0 1.0
   66    64    80    77  -0.07550 -1.0 2.0
   66    64    80    77   0.20000  1.0 3.0
   66    64    80    81   0.56750  1.0 1.0
   66    64    80    81  -0.07550 -1.0 2.0
   66    64    80    81   0.20000  1.0 3.0
   66    64    80    85   0.56750  1.0 1.0
   66    64    80    85  -0.07550 -1.0 2.0
   66    64    80    85   0.20000  1.0 3.0
   66    67    74    75   0.15000  1.0 3.0
   66    67    74    76   0.15000  1.0 3.0
   66    67   -74    77   0.56750  1.0 1.0
   66    67   -74    77  -0.07550 -1.0 2.0
   66    67   -74    77   0.20000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    74    77    78   0.15000  1.0 3.0
   67    74    77    79   0.15000  1.0 3.0
   67    74    77    80   0.56750  1.0 1.0
   67    74    77    80  -0.07550 -1.0 2.0
   67    74    77    80   0.20000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77   -80    64   0.56750  1.0 1.0
   74    77   -80    64  -0.07550 -1.0 2.0
   74    77   -80    64   0.20000  1.0 3.0
   74    77    80    81   0.56750  1.0 1.0
   74    77    80    81  -0.07550 -1.0 2.0
   74    77    80    81   0.20000  1.0 3.0
   74    77    80    85   0.56750  1.0 1.0
   74    77    80    85  -0.07550 -1.0 2.0
   74    77    80    85   0.20000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   76    74    77    79   0.15000  1.0 3.0
   76    74    77    80   0.15000  1.0 3.0
   77    80    81    82   0.15000  1.0 3.0
   77    80    81    83   0.15000  1.0 3.0
   77    80    81    84   0.15000  1.0 3.0
   77    80    85    86   0.15000  1.0 3.0
   77    80    85    87   0.15000  1.0 3.0
   77    80    85    88   0.15000  1.0 3.0
   78    77    80    64   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    85   0.15000  1.0 3.0
   79    77    80    64   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    85   0.15000  1.0 3.0
   80    64    66    52   0.56750  1.0 1.0
   80    64    66    52  -0.07550 -1.0 2.0
   80    64    66    52   0.20000  1.0 3.0
   80    64   -66    67   0.56750  1.0 1.0
   80    64   -66    67  -0.07550 -1.0 2.0
   80    64   -66    67   0.20000  1.0 3.0
   80    64    66    70   0.56750  1.0 1.0
   80    64    66    70  -0.07550 -1.0 2.0
   80    64    66    70   0.20000  1.0 3.0
   81    80    85    86   0.15000  1.0 3.0
   81    80    85    87   0.15000  1.0 3.0
   81    80    85    88   0.15000  1.0 3.0
   85    80    81    82   0.15000  1.0 3.0
   85    80    81    83   0.15000  1.0 3.0
   85    80    81    84   0.15000  1.0 3.0
   70    66    67    68   0.15000  1.0 3.0
   70    66    67    69   0.15000  1.0 3.0
   70    66    67    74   0.56750  1.0 1.0
   70    66    67    74  -0.07550 -1.0 2.0
   70    66    67    74   0.20000  1.0 3.0
   58    54    55    56   0.00000  1.0 1.0
   58    54    55    57   0.00000  1.0 1.0
   58    54    55    61   0.09850  1.0 1.0
   58    54    55    61   0.15250 -1.0 2.0
   58    54    55    61  -0.50650  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
   37    30    36    38  10.50000 -1.0 2.0
   33    40    39    41  15.00000 -1.0 2.0
   42    46    41    39  15.00000 -1.0 2.0
   52    55    54    58   1.10000 -1.0 2.0
   59    60    58    54   1.10000 -1.0 2.0
END
