* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    152    238     442
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02071   103.27947    10.61443
    3     1 S   H    _H1_     3     1.02125    41.95888   113.91116
    4     1 S   H    _H2_     4     1.02113    71.50151   -94.97168
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.82596    98.14144  -178.21513
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C16    37     1.54683   115.18329   -80.04113
   38    37 S   HC   _H32    38     1.09604   111.02405    92.51256
   39    33 S   OH   _O25    82     1.43073   109.07047    40.19030
   40    39 S   HO   _H49    83     0.96772   106.18072   174.88963
   41    37 S   C    _C12    39     1.51864   102.60353  -152.05576
   42    41 S   O    _O23    40     1.22219   125.22838  -164.78833
   43    37 S   CO4  _C15    76     1.49938   115.32116   -31.23309
   44    43 S   O    _O24    77     1.23010   121.67435   -54.94187
   45    41 S   N    _N22    41     1.38869   107.75898    17.79719
   46    45 S   H    _H48    42     1.01595   123.45010  -177.65841
   47    43 S   CT   _C21    78     1.50525   116.71449   125.13847
   48    47 S   HC   _H40    79     1.09357   109.68487    90.00494
   49    47 S   HC   _H41    80     1.09277   109.60691   -29.44097
   50    47 S   HC   _H42    81     1.09241   109.56995  -150.55401
   51    33 S   CT   _C17    43     1.53794   111.71023   162.24192
   52    51 S   HC   _H33    44     1.09850   111.12222    43.22998
   53    51 S   CT   _C23    45     1.52173   116.03333   -82.68965
   54    53 S   HC   _H45    46     1.09629   109.69218    44.79252
   55    53 S   HC   _H46    47     1.09635   109.67981   -71.31482
   56    53 S   C5B  _C10    48     1.50590   111.81015   166.77804
   57    56 S   C5A  _C7_    49     1.37644   125.32857    13.03463
   58    57 S   HA   _H30    50     1.08166   131.57420    -0.02798
   59    57 S   NA   _N21    51     1.36892   107.94187  -180.00000
   60    59 S   H    _H47    52     1.01075   124.87894  -179.97202
   61    59 S   C56A _C11    53     1.37626   110.15299     0.02798
   62    61 S   CA   _C6_    54     1.40011   130.17864  -179.97202
   63    62 S   HA   _H29    55     1.08432   121.48789    -0.04423
   64    62 S   CA   _C4_    56     1.39795   117.50107   180.00000
   65    64 S   HA   _H27    57     1.08723   119.34124   179.94766
   66    64 S   CA   _C5_    58     1.39328   121.07532    -0.00000
   67    66 S   HA   _H28    59     1.08777   119.06996  -179.98022
   68    66 S   CA   _C9_    60     1.39932   120.78792     0.04846
   69    56 S   C56B _C8_    61     1.42317   126.98962  -166.91975
   70    68 S   CT   _C22    62     1.49654   117.99821   179.97202
   71    70 S   HC   _H43    63     1.10207   109.85035    44.93097
   72    70 S   HC   _H44    64     1.09814   110.09164   158.84512
   73    70 S   CM   _C13    65     1.50708   112.76239   -75.30453
   74    73 S   HC   _H31    66     1.08980   114.13110    32.40844
   75    73 S   CM   _C14    67     1.34707   128.01569  -148.49189
   76    75 S   CT   _C19    68     1.50250   125.26105   179.98022
   77    76 S   HC   _H34    69     1.09212   113.62435    90.00398
   78    76 S   HC   _H35    70     1.09589   109.95568  -150.16418
   79    76 S   HC   _H36    71     1.09460   110.04064   -30.89202
   80    75 S   CT   _C20    72     1.50543   120.37148    -0.53959
   81    80 S   HC   _H37    73     1.09565   112.44523    90.05621
   82    80 S   HC   _H38    74     1.09517   110.18887  -149.91013
   83    80 S   HC   _H39    75     1.09539   110.28263   -30.12134
  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  11   5   4   3
  17   2   1   1  16   8   7   1   9   4   7   4   7   3   3   2
   1   1   7   4   9   4   3  10   7   4   7   3   8   7   4   6
   3   7   3   7   4   7   4   3  10   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    51    52    53    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    45    46    51    52    53    54    55    56    43    44    47    39    40  
   35    36  
   36  
    0  
   38    41    42    45    46    51    52    53    43    44    47    48    49    50    39    40  
   41    42    45    51    43    44    47    39  
   40    41    43    45    51    52    53  
   51  
   42    45    46    51    52    53    43    44    47  
   45    46    51    43  
   44    47    48    49    50    45    51  
   47    48    49    50  
   46    51    52    53    54    55    56  
   51    52    53  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    56    57    69  
   53    54    55    56  
   54    55    56    57    58    59    61    68    69  
   55    56    57    69  
   56    57    69  
   57    58    59    60    61    62    66    68    69    70  
   58    59    60    61    62    68    69  
   59    60    61    69  
   60    61    62    63    64    68    69  
   61    62    69  
   62    63    64    65    66    68    69    70  
   63    64    65    66    67    68    69  
   64    65    66    69  
   65    66    67    68    69    70  
   66    67    68  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73    74    75    76    80  
   72    73    74    75  
   73    74    75  
   74    75    76    77    78    79    80    81    82    83  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   59   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   60   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.005000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   317.000  1.522
   41    42   570.000  1.229
   41    45   490.000  1.335
   45    46   434.000  1.010
   45    51   337.000  1.449
   51    52   340.000  1.090
   51    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   295.000  1.494
   56    57   520.000  1.370
   56    69   380.000  1.440
   57    58   367.000  1.080
   57    59   427.000  1.381
   59    60   434.000  1.010
   59    61   428.000  1.380
   61    62   469.000  1.400
   61    69   447.000  1.419
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.404
   68    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   317.000  1.510
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   317.000  1.510
   75    80   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   43    44   570.000  1.229
   43    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    63.00000  111.10000
   33    51    45    70.00000  110.72300
   33    51    52    37.50000  110.70000
   33    51    53    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  120.40000
   37    41    45    70.00000  116.60000
   37    43    44    80.00000  120.40000
   37    43    47    70.00000  116.00000
   41    37    38    35.00000  109.50000
   41    45    46    35.00000  119.80000
   41    45    51    50.00000  121.90000
   45    41    42    80.00000  122.90000
   45    51    52    35.00000  109.50000
   45    51    53    70.00000  110.72300
   51    33    37    58.35000  112.70000
   51    45    46    38.00000  118.40000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    70.00000  112.62400
   53    51    52    37.50000  110.70000
   53    56    57    55.00000  127.77900
   53    56    69    55.00000  128.73000
   55    53    54    33.00000  107.80000
   56    53    54    45.00000  111.11700
   56    53    55    45.00000  111.11700
   56    57    58    35.00000  130.70000
   56    57    59    70.00000  106.30000
   56    69    61    80.00000  107.43600
   56    69    68    50.00000  134.85500
   57    59    60    35.00000  120.00000
   57    59    61    90.00000  107.14200
   59    57    58    35.00000  121.60000
   59    61    62    70.00000  132.80000
   59    61    69    70.00000  104.40000
   61    59    60    35.00000  123.10000
   61    62    63    35.00000  120.00000
   61    62    64    85.00000  120.00000
   61    69    68    85.00000  116.20000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   64    66    68    63.00000  120.00000
   66    64    65    35.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    70    70.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    70.00000  112.99600
   69    56    57    80.00000  105.82900
   69    61    62    85.00000  122.70000
   70    68    69    70.00000  120.00000
   70    73    74    35.00000  117.00000
   70    73    75    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    75    76    70.00000  124.00000
   73    75    80    70.00000  124.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  109.50000
   75    76    78    35.00000  109.50000
   75    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   43    37    38    35.00000  109.50000
   43    37    41    70.00000  107.85200
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    80.00000  120.40000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    37    50.00000  109.50000
   39    33    51    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    51    45   0.56750  1.0 1.0
   29    33    51    45  -0.07550 -1.0 2.0
   29    33    51    45   0.20000  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    53   0.44750  1.0 1.0
   29    33    51    53  -0.17800 -1.0 2.0
   29    33    51    53   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    45   1.39750  1.0 1.0
   33    37   -41    45  -0.07950 -1.0 2.0
   33    37   -41    45  -0.18750  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    47   0.60050  1.0 1.0
   33    37    43    47   0.05600 -1.0 2.0
   33    37    43    47   0.26150  1.0 3.0
   33    51    53    54   0.15000  1.0 3.0
   33    51    53    55   0.15000  1.0 3.0
   33    51    53    56  -0.03700  1.0 1.0
   33    51    53    56   0.37200 -1.0 2.0
   33    51    53    56  -0.47300  1.0 3.0
   37    33   -51    45   0.43900  1.0 1.0
   37    33   -51    45   0.49100 -1.0 2.0
   37    33   -51    45   0.28400  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    53   0.56750  1.0 1.0
   37    33    51    53  -0.07550 -1.0 2.0
   37    33    51    53   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41    45    46   2.45000 -1.0 2.0
   37    41   -45    51   1.49850  1.0 1.0
   37    41   -45    51   1.53950 -1.0 2.0
   37    43    47    48   0.00000  1.0 1.0
   37    43    47    49   0.00000  1.0 1.0
   37    43    47    50   0.00000  1.0 1.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    45   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    47   0.00000  1.0 1.0
   41    37    43    44   0.30150 -1.0 2.0
   41    37    43    47   0.65300  1.0 1.0
   41    37    43    47  -0.03850 -1.0 2.0
   41    37    43    47   0.33900  1.0 3.0
   41    45   -51    33  -0.43950  1.0 1.0
   41    45   -51    33  -0.08100 -1.0 2.0
   41    45   -51    33   0.03350  1.0 3.0
   41    45    51    52   0.00000  1.0 1.0
   41    45    51    53  -0.43950  1.0 1.0
   41    45    51    53  -0.08100 -1.0 2.0
   41    45    51    53   0.03350  1.0 3.0
   42    41    45    46   2.45000 -1.0 2.0
   42    41    45    51   3.04450 -1.0 2.0
   45    51    53    54   0.15000  1.0 3.0
   45    51    53    55   0.15000  1.0 3.0
   45    51    53    56   0.08550  1.0 1.0
   45    51    53    56   1.07500 -1.0 2.0
   45    51    53    56  -0.10950  1.0 3.0
   46    45    51    33   0.00000  1.0 1.0
   46    45    51    52   0.00000  1.0 1.0
   46    45    51    53   0.00000  1.0 1.0
   51    33    37    38   0.15000  1.0 3.0
   51    33   -37    41  -0.95700  1.0 1.0
   51    33   -37    41  -0.18200 -1.0 2.0
   51    33   -37    41   0.29450  1.0 3.0
   51    33    37    43  -0.95700  1.0 1.0
   51    33    37    43  -0.18200 -1.0 2.0
   51    33    37    43   0.29450  1.0 3.0
   51    33    39    40  -0.11600  1.0 1.0
   51    33    39    40  -0.09450 -1.0 2.0
   51    33    39    40   0.21250  1.0 3.0
   51    53    56    57   0.04150 -1.0 2.0
   51    53    56    69   0.04150 -1.0 2.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.43200  1.0 3.0
   53    56    57    58   3.62500 -1.0 2.0
   53    56    57    59   3.62500 -1.0 2.0
   53    56    69    61   3.62500 -1.0 2.0
   53    56    69    68   3.62500 -1.0 2.0
   54    53    56    57   0.00000  1.0 1.0
   54    53    56    69   0.00000  1.0 1.0
   55    53    56    57   0.00000  1.0 1.0
   55    53    56    69   0.00000  1.0 1.0
   56    57    59    60   1.40000 -1.0 2.0
   56    57   -59    61   3.62500 -1.0 2.0
   57    56   -69    61   3.50000 -1.0 2.0
   57    56    69    68   3.62500 -1.0 2.0
   57    59    61    62   3.62500 -1.0 2.0
   57    59   -61    69   3.62500 -1.0 2.0
   58    57    59    60   2.00000 -1.0 2.0
   58    57    59    61   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61    62    64   3.62500 -1.0 2.0
   59    61   -69    56   3.00000 -1.0 2.0
   59    61    69    68   3.00000 -1.0 2.0
   60    59    61    62   1.52500 -1.0 2.0
   60    59    61    69   1.52500 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    66   3.62500 -1.0 2.0
   62    61    69    56   3.00000 -1.0 2.0
   62    61    69    68   3.00000 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   62    64   -66    68   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   64    66    68    69   3.62500 -1.0 2.0
   64    66    68    70   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   65    64    66    68   3.62500 -1.0 2.0
   66    68    69    56   3.62500 -1.0 2.0
   66    68   -69    61   3.50000 -1.0 2.0
   66    68    70    71   0.00000  1.0 1.0
   66    68    70    72   0.00000  1.0 1.0
   66    68    70    73   0.18050 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    73    74   0.00000  1.0 1.0
   68    70    73    75   1.44450  1.0 1.0
   68    70    73    75   0.06600 -1.0 2.0
   68    70    73    75   0.29250  1.0 3.0
   69    56    57    58   3.62500 -1.0 2.0
   69    56   -57    59   3.62500 -1.0 2.0
   69    61    62    63   3.62500 -1.0 2.0
   69    61   -62    64   3.62500 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.00000  1.0 1.0
   69    68    70    73   0.18050 -1.0 2.0
   70    68    69    56   3.62500 -1.0 2.0
   70    68    69    61   3.62500 -1.0 2.0
   70    73    75    76   7.00000 -1.0 2.0
   70    73    75    80   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.00000  1.0 1.0
   72    70    73    74   0.33100  1.0 3.0
   72    70    73    75   0.00000  1.0 1.0
   73    75    76    77   0.00000  1.0 1.0
   73    75    76    78   0.00000  1.0 1.0
   73    75    76    79   0.00000  1.0 1.0
   73    75    80    81   0.00000  1.0 1.0
   73    75    80    82   0.00000  1.0 1.0
   73    75    80    83   0.00000  1.0 1.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    80   7.00000 -1.0 2.0
   76    75    80    81   0.34800  1.0 3.0
   76    75    80    82   0.34800  1.0 3.0
   76    75    80    83   0.34800  1.0 3.0
   80    75    76    77   0.34800  1.0 3.0
   80    75    76    78   0.34800  1.0 3.0
   80    75    76    79   0.34800  1.0 3.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    45   0.00000  1.0 1.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    50   0.00000  1.0 1.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41  -0.09450  1.0 1.0
   39    33    37    41  -1.12950 -1.0 2.0
   39    33    37    41   0.54000  1.0 3.0
   39    33    37    43  -0.09450  1.0 1.0
   39    33    37    43  -1.12950 -1.0 2.0
   39    33    37    43   0.54000  1.0 3.0
   39    33    51    45   2.76900  1.0 1.0
   39    33    51    45  -0.24350 -1.0 2.0
   39    33    51    45  -0.78250  1.0 3.0
   39    33    51    52   0.23400  1.0 3.0
   39    33    51    53   0.86500  1.0 1.0
   39    33    51    53  -0.17500 -1.0 2.0
   39    33    51    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   37    45    41    42  10.50000 -1.0 2.0
   46    41    45    51   1.00000 -1.0 2.0
   57    69    56    53   4.00000 -1.0 2.0
   59    58    57    56   1.10000 -1.0 2.0
   60    57    59    61   1.00000 -1.0 2.0
   62    69    61    59   4.00000 -1.0 2.0
   64    63    62    61   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   68    67    66    64   1.10000 -1.0 2.0
   69    70    68    66   4.00000 -1.0 2.0
   61    68    69    56   4.00000 -1.0 2.0
   70    74    73    75  15.00000 -1.0 2.0
   76    80    75    73  15.00000 -1.0 2.0
   37    47    43    44  10.50000 -1.0 2.0
END
