* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    162    264     483
    1     0 S   NP   _N1_     1    30.46732    90.44998   -27.37072
    2     1 S   H    _HN1     2     1.02946    86.03651    35.15726
    3     1 S   H    _H1_     3     1.02835    34.22687   -93.58291
    4     1 S   H    _H2_     4     1.02801   141.44726   -79.60939
    5     1 S   CT   _CA1     5     1.50087    94.55556   145.42609
    6     5 S   HC   _HA1     6     1.09568   105.23351    90.23272
    7     5 S   CO3  _C1_     7     1.53791   112.42358   -30.15311
    8     7 S   O2Z  _O11     8     1.26376   115.01729   -44.86674
    9     7 S   O2Z  _O12     9     1.26231   114.93545   134.35394
   10     5 S   CT   _CB1    10     1.53062   107.45737  -151.71571
   11    10 S   HC   HB11    11     1.09837   109.48355   -49.29089
   12    10 S   HC   HB12    12     1.09818   110.42865    67.33889
   13    10 S   CT   _CG1    13     1.53011   112.55824  -170.20833
   14    13 S   HC   HG11    14     1.09578   110.69665   -64.02951
   15    13 S   HC   HG12    15     1.09656   109.79027    55.26720
   16    13 S   C    _CD1    16     1.51725   112.05174   175.85981
   17    16 S   O    _OE1    17     1.22755   123.15816     8.16291
   18    16 S   N    _N2_    18     1.38556   111.85759  -172.00090
   19    18 S   H    _HN2    19     1.01555   118.88819     3.15095
   20    18 S   CT1  _CA2    20     1.46437   123.72576   179.22418
   21    20 S   HC   _HA2    21     1.09584   109.09339    13.66936
   22    20 S   C    _C2_    22     1.53694   108.24382  -101.79023
   23    22 S   O    _O2_    23     1.23058   122.57665  -139.69295
   24    20 S   CT   _CB2    32     1.53481   111.36932   136.16685
   25    24 S   HC   HB21    33     1.09694   109.22523    57.14063
   26    24 S   HC   HB22    34     1.09250   111.16840   173.71459
   27    22 S   N    _N3_    24     1.38422   113.72716    47.02273
   28    27 S   H    _HN3    25     1.01528   119.75499    -1.00911
   29    24 S   S    _SG2    35     1.83598   112.88590   -60.57523
   30    27 S   CT   _CA3    26     1.45297   123.14632   178.02712
   31    30 S   HC   HA31    27     1.09546   107.34473   -69.08396
   32    30 S   HC   HA32    28     1.09558   108.19135    47.38831
   33    29 S   CT   _C18    36     1.90540   104.33134   -95.43621
   34    33 S   OM   _O37    37     1.32282   111.29881    26.96409
   35    30 S   CO3  _C3_    29     1.52962   114.13583   169.52247
   36    35 S   O2Z  _O31    30     1.26371   116.13920    -0.99936
   37    35 S   O2Z  _O32    31     1.26441   114.39634   179.08807
   38    33 S   CM   _C19    38     1.54293   104.30699   -91.42843
   39    33 S   CT   _C17    71     1.61291   112.41659   144.82667
   40    39 S   HC   _H4_    72     1.10148   110.71072  -126.55937
   41    38 S   CMA  _C21    39     1.36590   125.72312   -97.53569
   42    41 S   OM   _O34    40     1.26967   129.82977   177.68666
   43    39 S   NP   _N5_    73     1.55640   111.50040   -13.87386
   44    43 S   H    _H15    74     1.03006   104.53546    36.97282
   45    38 S   C    _C20    83     1.50493   119.44920    80.01932
   46    45 S   O    _O33    84     1.22647   122.78873   -81.98166
   47    41 S   CT   _C22    41     1.55190   117.03196    -4.73785
   48    47 S   OM   _O36    42     1.32738   109.48263    84.45054
   49    43 S   CT   _C24    75     1.50529   117.88284   154.88960
   50    49 S   HC   _H16    76     1.09317   108.67814    55.53380
   51    49 S   HC   _H17    77     1.09429   108.19467   175.36185
   52    49 S   HC   _H18    78     1.09021   109.34649   -67.17370
   53    43 S   CT   _C25    79     1.51637   111.46677   -79.08728
   54    53 S   HC   _H19    80     1.09372   108.31180   -72.73508
   55    53 S   HC   _H20    81     1.08866   109.71881    47.59533
   56    53 S   HC   _H21    82     1.09348   107.90574   167.08624
   57    45 S   N    _N4_    85     1.37586   112.91931    98.86680
   58    57 S   H    _H13    86     1.01372   121.63565     0.35388
   59    57 S   H    _H14    87     1.01225   120.57915   179.36142
   60    47 S   CO4  _C23    43     1.56195   114.96711  -156.72229
   61    60 S   O    _O35    44     1.23276   123.61471  -101.72854
   62    60 S   CA   _C13    45     1.50261   118.34707    76.47765
   63    62 S   CA   _C14    46     1.40085   119.65399    15.33620
   64    62 S   CA   _C12    57     1.41117   120.74139  -164.52834
   65    63 S   CA   _C5_    47     1.42203   119.30762  -177.33186
   66    64 S   OH   _O38    58     1.37747   120.53054     0.96935
   67    66 S   HO   _H22    59     0.97305   109.43734     0.65849
   68    63 S   CT   _C15    66     1.51191   120.75481     1.35162
   69    68 S   HC   _H11    67     1.09829   108.30888   135.00726
   70    68 S   HC   _H12    68     1.09601   107.95501  -108.91049
   71    65 S   CA   _C6_    48     1.43086   120.82728    -4.76699
   72    65 S   CT   _C4_    62     1.51838   120.03653   176.58155
   73    72 S   HC   _H5_    63     1.09521   110.65836  -134.47168
   74    72 S   HC   _H6_    64     1.09232   113.45844   -17.24205
   75    72 S   HC   _H7_    65     1.09451   109.92821   104.08099
   76    47 S   CT   _C16    69     1.54394   110.85974   -36.51206
   77    76 S   HC   _H3_    70     1.09736   109.50759  -177.77261
   78    71 S   CA   _C7_    49     1.41869   122.04157  -176.05812
   79    78 S   HA   _H8_    50     1.08788   120.97291     1.08318
   80    78 S   CA   _C8_    51     1.39340   122.71687  -179.44857
   81    80 S   HA   _H9_    52     1.08596   120.10162   179.96044
   82    80 S   CA   _C9_    53     1.38090   119.56412    -0.14127
   83    82 S   HA   _H10    54     1.08596   119.45978   180.00000
   84    82 S   CA   _C10    55     1.39574   119.31425    -0.30390
   85    71 S   CA   _C11    56     1.41905   119.88474     3.77112
   86    84 S   OH   _O39    60     1.37454   117.27502  -179.53818
   87    86 S   HO   _H23    61     0.97144   109.41385    -0.63242
  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
  17   7   2   1   1  14  22   8  12   5  13   9   5   3  11   6
   8   3   2   1   4   2   1   1   2   1   1  10   4  13  15  10
  14   4   1   6   3   2  12   5   2   1   1   1   1   7   4   6
   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    76    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    68    76    77    39    40    43    44    49    53    45    46    57  
   38    41    76    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    48    60    76    39    40    43    45    46    57    58    59  
   40    43    44    49    50    51    52    53    54    55    56    45    41    47    48    60    63    68    69    70    76    77  
   43    44    49    53    47    68    76    77  
   42    47    48    60    61    62    68    76    77    45    46    57  
   47    48    60    76    45  
   44    49    50    51    52    53    54    55    56    47    68    76    77  
   49    50    51    52    53    54    55    56    76  
   46    57    58    59    47  
   57    58    59  
   48    60    61    62    63    64    68    69    70    76    77  
   60    61    62    68    76    77  
   50    51    52    53    54    55    56    76  
   51    52    53  
   52    53  
   53  
   54    55    56    76  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    62    63    65    85    64    66    68    76    77  
   62    63    64    76  
   63    65    71    84    85    64    66    67    72    68    69    70    76  
   65    71    78    85    64    66    72    73    74    75    68    69    70    76    77  
   66    67    86    68    65    71    78    82    84    85  
   71    78    79    80    84    85    72    73    74    75    68    69    70    76  
   67    71    84    85  
   85  
   69    70    76    77    71    72  
   70    76    77  
   76    77  
   78    79    80    81    82    84    85    86    72    73    74    75  
   73    74    75    78    85  
   74    75  
   75  
    0  
   77  
    0  
   79    80    81    82    83    84    85  
   80    81    82    85  
   81    82    83    84    85    86  
   82    83    84  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   47   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   59   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   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    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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   410.000  1.444
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   570.000  1.307
   47    60   317.000  1.522
   47    76   268.000  1.529
   60    61   570.000  1.229
   60    62   310.000  1.470
   62    63   469.000  1.400
   62    64   469.000  1.400
   63    65   469.000  1.400
   63    68   317.000  1.510
   65    71   469.000  1.400
   65    72   317.000  1.510
   71    78   469.000  1.400
   71    85   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   80    82   469.000  1.400
   82    83   367.000  1.080
   82    84   469.000  1.400
   84    85   469.000  1.400
   84    86   450.000  1.364
   85    64   469.000  1.400
   64    66   450.000  1.364
   66    67   553.000  0.945
   86    87   553.000  0.945
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    76   268.000  1.529
   76    77   340.000  1.090
   76    39   268.000  1.529
   39    40   340.000  1.090
   39    43   367.000  1.471
   43    44   434.000  1.010
   43    49   367.000  1.471
   43    53   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   45    46   570.000  1.229
   45    57   490.000  1.335
   57    58   434.000  1.010
   57    59   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    70.00000  119.70000
   33    39    76    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    80.00000  111.20000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  125.30000
   38    45    57    80.00000  111.56200
   41    47    48    85.00000  110.90400
   41    47    60    70.00000  109.06800
   41    47    76    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    60    61    80.00000  120.40000
   47    60    62    65.00000  115.47100
   47    76    68    58.35000  112.70000
   47    76    77    37.50000  110.70000
   47    76    39    58.35000  112.70000
   60    47    48    90.00000  108.74100
   60    62    63    60.00000  119.52600
   60    62    64    60.00000  119.52600
   62    60    61    75.00000  123.78400
   62    63    65    63.00000  120.00000
   62    63    68    70.00000  120.00000
   62    64    85    63.00000  120.00000
   62    64    66    70.00000  120.00000
   63    65    71    63.00000  120.00000
   63    65    72    70.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    76    70.00000  112.17500
   65    71    78    63.00000  120.00000
   65    71    85    63.00000  120.00000
   65    72    73    35.00000  109.50000
   65    72    74    35.00000  109.50000
   65    72    75    35.00000  109.50000
   71    78    79    35.00000  120.00000
   71    78    80    63.00000  120.00000
   71    85    84    63.00000  120.00000
   71    85    64    63.00000  120.00000
   78    80    81    35.00000  120.00000
   78    80    82    63.00000  120.00000
   80    78    79    35.00000  120.00000
   80    82    83    35.00000  120.00000
   80    82    84    63.00000  120.00000
   82    80    81    35.00000  120.00000
   82    84    85    63.00000  120.00000
   82    84    86    70.00000  120.00000
   84    82    83    35.00000  120.00000
   84    85    64    63.00000  120.00000
   84    86    87    35.00000  113.00000
   85    71    78    63.00000  120.00000
   85    64    66    70.00000  120.00000
   64    62    63    63.00000  120.00000
   64    66    67    35.00000  113.00000
   86    84    85    70.00000  120.00000
   72    65    71    70.00000  120.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    63    65    70.00000  120.00000
   68    76    77    37.50000  110.70000
   68    76    39    58.35000  112.70000
   70    68    69    33.00000  107.80000
   76    47    48    50.00000  109.50000
   76    47    60    63.00000  111.10000
   76    68    69    37.50000  110.70000
   76    68    70    37.50000  110.70000
   76    39    40    37.50000  110.70000
   76    39    43    80.00000  111.20000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    76    77    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    49    75.00000  113.01200
   39    43    53    75.00000  113.01200
   43    39    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    35.00000  109.50000
   43    49    52    35.00000  109.50000
   43    53    54    35.00000  109.50000
   43    53    55    35.00000  109.50000
   43    53    56    35.00000  109.50000
   49    43    44    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    43    44    35.00000  109.50000
   53    43    49    75.00000  113.01200
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   45    38    41    60.00000  120.04000
   45    57    58    35.00000  119.80000
   45    57    59    35.00000  119.80000
   57    45    46    80.00000  122.90000
   59    57    58    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    76   0.44750  1.0 1.0
   29    33    39    76  -0.17800 -1.0 2.0
   29    33    39    76   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    57   1.59650  1.0 1.0
   33    38    45    57   0.42750 -1.0 2.0
   33    38    45    57  -0.48350  1.0 3.0
   33    39    43    44   0.17350  1.0 3.0
   33    39    43    49   0.47100  1.0 1.0
   33    39    43    53   0.47100  1.0 1.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    76   0.62750  1.0 1.0
   34    33    39    76  -0.30950 -1.0 2.0
   34    33    39    76   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.69300  1.0 1.0
   34    33    39    43  -0.48450 -1.0 2.0
   38    33    39    76   0.34400  1.0 1.0
   38    33    39    76   0.09450 -1.0 2.0
   38    33    39    76   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43  -0.47300  1.0 1.0
   38    33    39    43   0.29700 -1.0 2.0
   38    33    39    43   0.83300  1.0 3.0
   38    41    47    48   0.39000  1.0 1.0
   38    41    47    48  -0.05800 -1.0 2.0
   38    41    47    48  -0.55150  1.0 3.0
   38    41    47    60  -0.51250  1.0 1.0
   38    41    47    60  -0.88800 -1.0 2.0
   38    41    47    60   0.08850  1.0 3.0
   38    41   -47    76   0.09850  1.0 1.0
   38    41   -47    76   0.15250 -1.0 2.0
   38    41   -47    76  -0.50650  1.0 3.0
   38    45    57    58   2.56700 -1.0 2.0
   38    45    57    59   2.56700 -1.0 2.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    57   0.49500  1.0 1.0
   41    38    45    57   1.31600 -1.0 2.0
   41    38    45    57  -0.02300  1.0 3.0
   41    47    60    61   0.30150 -1.0 2.0
   41    47    60    62   0.65300  1.0 1.0
   41    47    60    62  -0.03850 -1.0 2.0
   41    47    60    62   0.33900  1.0 3.0
   41    47    76    68   0.34400  1.0 1.0
   41    47    76    68   0.09450 -1.0 2.0
   41    47    76    68   0.11100  1.0 3.0
   41    47    76    77   0.15000  1.0 3.0
   41    47    76    39   0.34400  1.0 1.0
   41    47    76    39   0.09450 -1.0 2.0
   41    47    76    39   0.11100  1.0 3.0
   42    41    47    48   0.09700  1.0 1.0
   42    41    47    48   0.15600 -1.0 2.0
   42    41    47    48  -0.50800  1.0 3.0
   42    41    47    60   0.09700  1.0 1.0
   42    41    47    60   0.15600 -1.0 2.0
   42    41    47    60  -0.50800  1.0 3.0
   42    41    47    76   0.09700  1.0 1.0
   42    41    47    76   0.15600 -1.0 2.0
   42    41    47    76  -0.50800  1.0 3.0
   47    60    62    63   2.26350  1.0 1.0
   47    60    62    63   0.76750 -1.0 2.0
   47    60    62    63   0.22500  1.0 3.0
   47    60    62    64   2.26350  1.0 1.0
   47    60    62    64   0.76750 -1.0 2.0
   47    60    62    64   0.22500  1.0 3.0
   47    76   -39    33   0.56750  1.0 1.0
   47    76   -39    33  -0.07550 -1.0 2.0
   47    76   -39    33   0.20000  1.0 3.0
   47    76    39    40   0.15000  1.0 3.0
   47    76    39    43   1.36600  1.0 1.0
   47    76    39    43  -0.11450 -1.0 2.0
   47    76    39    43   0.24250  1.0 3.0
   48    47    60    61   0.30150 -1.0 2.0
   48    47    60    62   0.65300  1.0 1.0
   48    47    60    62  -0.03850 -1.0 2.0
   48    47    60    62   0.33900  1.0 3.0
   48    47    76    68   0.62750  1.0 1.0
   48    47    76    68  -0.30950 -1.0 2.0
   48    47    76    68   0.27300  1.0 3.0
   48    47    76    77   0.23400  1.0 3.0
   48    47    76    39   0.62750  1.0 1.0
   48    47    76    39  -0.30950 -1.0 2.0
   48    47    76    39   0.27300  1.0 3.0
   60    47    76    68  -0.95700  1.0 1.0
   60    47    76    68  -0.18200 -1.0 2.0
   60    47    76    68   0.29450  1.0 3.0
   60    47    76    77  -0.11250  1.0 3.0
   60    47    76    39  -0.95700  1.0 1.0
   60    47    76    39  -0.18200 -1.0 2.0
   60    47    76    39   0.29450  1.0 3.0
   60    62    63    65   3.62500 -1.0 2.0
   60    62   -63    68   3.62500 -1.0 2.0
   60    62    64    85   3.62500 -1.0 2.0
   60    62    64    66   3.62500 -1.0 2.0
   61    60    62    63   1.05000 -1.0 2.0
   61    60    62    64   1.05000 -1.0 2.0
   62    63    65    71   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    68    69   0.00000  1.0 1.0
   62    63    68    70   0.00000  1.0 1.0
   62    63    68    76   0.04150 -1.0 2.0
   62    64    66    67   0.84100 -1.0 2.0
   63    62    64    85   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   63    65    71    78   3.62500 -1.0 2.0
   63    65   -71    85   3.62500 -1.0 2.0
   63    65    72    73   0.00000  1.0 1.0
   63    65    72    74   0.00000  1.0 1.0
   63    65    72    75   0.00000  1.0 1.0
   63    68   -76    47  -0.03700  1.0 1.0
   63    68   -76    47   0.37200 -1.0 2.0
   63    68   -76    47  -0.47300  1.0 3.0
   63    68    76    77   0.43200  1.0 3.0
   63    68    76    39  -0.03700  1.0 1.0
   63    68    76    39   0.37200 -1.0 2.0
   63    68    76    39  -0.47300  1.0 3.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    70   0.00000  1.0 1.0
   65    63    68    76   0.04150 -1.0 2.0
   65    71    78    79   3.62500 -1.0 2.0
   65    71    78    80   3.62500 -1.0 2.0
   65    71    85    84   3.62500 -1.0 2.0
   65    71    85    64   3.62500 -1.0 2.0
   71    65    72    73   0.00000  1.0 1.0
   71    65    72    74   0.00000  1.0 1.0
   71    65    72    75   0.00000  1.0 1.0
   71    78    80    81   3.62500 -1.0 2.0
   71    78    80    82   3.62500 -1.0 2.0
   71    85   -64    62   3.62500 -1.0 2.0
   71    85    64    66   3.62500 -1.0 2.0
   78    71    85    84   3.62500 -1.0 2.0
   78    71    85    64   3.62500 -1.0 2.0
   78    80    82    83   3.62500 -1.0 2.0
   78    80   -82    84   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   79    78    80    82   3.62500 -1.0 2.0
   80    82    84    85   3.62500 -1.0 2.0
   80    82    84    86   3.62500 -1.0 2.0
   81    80    82    83   3.62500 -1.0 2.0
   81    80    82    84   3.62500 -1.0 2.0
   82    84   -85    71   3.62500 -1.0 2.0
   82    84    85    64   3.62500 -1.0 2.0
   82    84    86    87   0.84100 -1.0 2.0
   83    82    84    85   3.62500 -1.0 2.0
   83    82    84    86   3.62500 -1.0 2.0
   84    85    64    62   3.62500 -1.0 2.0
   84    85    64    66   3.62500 -1.0 2.0
   85    71    78    79   3.62500 -1.0 2.0
   85    71   -78    80   3.62500 -1.0 2.0
   85    84    86    87   0.84100 -1.0 2.0
   85    64    66    67   0.84100 -1.0 2.0
   64    62   -63    65   3.62500 -1.0 2.0
   64    62    63    68   3.62500 -1.0 2.0
   86    84    85    71   3.62500 -1.0 2.0
   86    84    85    64   3.62500 -1.0 2.0
   72    65    71    78   3.62500 -1.0 2.0
   72    65    71    85   3.62500 -1.0 2.0
   68    63    65    71   3.62500 -1.0 2.0
   68    63    65    72   3.62500 -1.0 2.0
   68    76    39    33   0.56750  1.0 1.0
   68    76    39    33  -0.07550 -1.0 2.0
   68    76    39    33   0.20000  1.0 3.0
   68    76    39    40   0.15000  1.0 3.0
   68    76    39    43   1.36600  1.0 1.0
   68    76    39    43  -0.11450 -1.0 2.0
   68    76    39    43   0.24250  1.0 3.0
   69    68    76    47   0.15000  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    39   0.15000  1.0 3.0
   70    68    76    47   0.15000  1.0 3.0
   70    68    76    77   0.15000  1.0 3.0
   70    68    76    39   0.15000  1.0 3.0
   76    47    60    61   0.30150 -1.0 2.0
   76    47   -60    62   0.05850 -1.0 2.0
   76    47   -60    62   0.17250  1.0 3.0
   76    39    43    44   0.17350  1.0 3.0
   76    39    43    49   0.47100  1.0 1.0
   76    39    43    53   0.47100  1.0 1.0
   77    76    39    33   0.15000  1.0 3.0
   77    76    39    40   0.15000  1.0 3.0
   77    76    39    43   0.19200  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    51   0.15000  1.0 3.0
   39    43    49    52   0.15000  1.0 3.0
   39    43    53    54   0.15000  1.0 3.0
   39    43    53    55   0.15000  1.0 3.0
   39    43    53    56   0.15000  1.0 3.0
   40    39    43    44   0.13050  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    53   0.15000  1.0 3.0
   44    43    49    50   0.13050  1.0 3.0
   44    43    49    51   0.13050  1.0 3.0
   44    43    49    52   0.13050  1.0 3.0
   44    43    53    54   0.13050  1.0 3.0
   44    43    53    55   0.13050  1.0 3.0
   44    43    53    56   0.13050  1.0 3.0
   49    43    53    54   0.15000  1.0 3.0
   49    43    53    55   0.15000  1.0 3.0
   49    43    53    56   0.15000  1.0 3.0
   53    43    49    50   0.15000  1.0 3.0
   53    43    49    51   0.15000  1.0 3.0
   53    43    49    52   0.15000  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    57    58   2.45000 -1.0 2.0
   46    45    57    59   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    62    60    61  10.50000 -1.0 2.0
   63    64    62    60   4.00000 -1.0 2.0
   65    68    63    62   4.00000 -1.0 2.0
   71    72    65    63   4.00000 -1.0 2.0
   78    85    71    65   4.00000 -1.0 2.0
   80    79    78    71   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   85    86    84    82   4.00000 -1.0 2.0
   84    64    85    71   4.00000 -1.0 2.0
   85    66    64    62   4.00000 -1.0 2.0
   38    57    45    46  10.50000 -1.0 2.0
   59    45    57    58   1.00000 -1.0 2.0
END
