* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    250     471
    1     0 S   NP   _N1_     1    28.59344    94.69702   -23.93393
    2     1 S   H    _HN1     2     1.02960    81.51827    31.68773
    3     1 S   H    _H1_     3     1.02836    28.40922  -174.34140
    4     1 S   H    _H2_     4     1.02778   105.40479   -75.09185
    5     1 S   CT   _CA1     5     1.50118   133.34100   141.77587
    6     5 S   HC   _HA1     6     1.09575   105.22879    79.81113
    7     5 S   CO3  _C1_     7     1.53780   112.40773   -40.39047
    8     7 S   O2Z  _O11     8     1.26357   115.00421   -43.62070
    9     7 S   O2Z  _O12     9     1.26240   114.91934   135.57295
   10     5 S   CT   _CB1    10     1.53097   107.42825  -162.28804
   11    10 S   HC   HB11    11     1.09825   109.30676   -50.94756
   12    10 S   HC   HB12    12     1.09818   110.42272    65.59328
   13    10 S   CT   _CG1    13     1.53011   112.68765  -172.05999
   14    13 S   HC   HG11    14     1.09596   110.44620   -64.25225
   15    13 S   HC   HG12    15     1.09655   109.97194    54.96868
   16    13 S   C    _CD1    16     1.51820   112.33349   175.30472
   17    16 S   O    _OE1    17     1.22719   123.27082    -1.57259
   18    16 S   N    _N2_    18     1.38644   111.63784   178.64752
   19    18 S   H    _HN2    19     1.01583   119.00833     1.17553
   20    18 S   CT1  _CA2    20     1.46177   123.36880   179.50228
   21    20 S   HC   _HA2    21     1.09736   109.39916    -6.64396
   22    20 S   C    _C2_    22     1.53479   108.40086  -122.21977
   23    22 S   O    _O2_    23     1.23026   122.17475  -145.67001
   24    20 S   CT   _CB2    32     1.53400   111.61323   115.39929
   25    24 S   HC   HB21    33     1.09591   110.03599    55.89794
   26    24 S   HC   HB22    34     1.09460   109.97212   174.92727
   27    22 S   N    _N3_    24     1.38485   113.45787    41.66824
   28    27 S   H    _HN3    25     1.01513   118.94363    -0.68500
   29    24 S   S    _SG2    35     1.82697   111.81352   -65.21954
   30    27 S   CT   _CA3    26     1.45461   123.54352   175.07204
   31    30 S   HC   HA31    27     1.09515   109.36798    21.97566
   32    30 S   HC   HA32    28     1.09499   107.09570   139.01025
   33    29 S   CT   _C11    36     1.83189    99.61947   170.91609
   34    33 S   HC   _H3_    37     1.09735   106.49564   -54.84988
   35    30 S   CO3  _C3_    29     1.52919   112.99811  -101.58233
   36    35 S   O2Z  _O31    30     1.26411   115.35933   -45.26923
   37    35 S   O2Z  _O32    31     1.26348   115.00821   135.61840
   38    33 S   CT   _C10    38     1.53483   114.06480    65.33780
   39    38 S   HC   _H33    39     1.09497   113.40556   -69.93256
   40    33 S   CT   _C16    50     1.55599   115.06986  -175.05625
   41    38 S   CT   _C15    40     1.53948   102.12293   168.92902
   42    40 S   CT   _C17    51     1.52814   111.75098    79.00350
   43    42 S   HC   _H38    52     1.09613   110.70152   -62.44216
   44    42 S   HC   _H39    53     1.09523   111.25382  -179.59846
   45    42 S   HC   _H40    54     1.09330   112.33038    58.05702
   46    40 S   OH   _O23    55     1.43821   109.54702   -39.13987
   47    46 S   HO   _H48    56     0.97265   107.99899  -179.75772
   48    38 S   OH   _O21    82     1.42773   111.86108    52.51129
   49    48 S   HO   _H46    83     0.97332   107.14270   -49.45862
   50    41 S   CM   _C4_    41     1.50281   111.61567    78.97489
   51    50 S   HC   _H27    42     1.08620   118.42567    56.25200
   52    41 S   OH   _O22    80     1.42237   110.69123  -161.81929
   53    52 S   HO   _H47    81     0.97370   107.10028    45.25071
   54    50 S   CM   _C5_    43     1.33660   122.18209  -121.26143
   55    54 S   HC   _H28    44     1.08097   123.36604   175.02342
   56    54 S   OS   _O16    45     1.36692   125.65424    -3.46475
   57    56 S   CO   _C13    46     1.43559   114.54930   -17.77839
   58    57 S   HC   _H36    47     1.09529   107.40132   166.23791
   59    41 S   CT   _C6_    48     1.55328   103.92681   -42.00694
   60    59 S   HC   _H29    49     1.10053   107.75912   -91.34276
   61    57 S   OS1  _O25    57     1.43818   111.82502   -75.77823
   62    61 S   CO1  _C14    58     1.43248   113.13527   -68.30129
   63    62 S   HC   _H37    59     1.09776   108.93243    49.57524
   64    62 S   CT   _C9_    60     1.53368   107.34895   168.73173
   65    64 S   HC   _H32    61     1.09681   109.99319    52.53486
   66    64 S   CT   _C7_    62     1.53091   111.19523   174.48811
   67    66 S   HC   _H30    63     1.09668   110.22714    73.67733
   68    64 S   OH5  _O20    78     1.42937   110.01742   -64.21896
   69    68 S   HO   _H45    79     0.97220   108.23766   -59.07947
   70    66 S   CT   _C8_    64     1.53189   111.35120   -49.00171
   71    70 S   HC   _H31    65     1.09704   109.05649   -71.44070
   72    66 S   OH5  _O18    76     1.42943   109.65737  -170.44539
   73    72 S   HO   _H43    77     0.97241   108.14337    60.28621
   74    70 S   CT   _C12    66     1.53235   110.66306    49.79047
   75    74 S   HC   _H35    67     1.09835   110.94459    64.14850
   76    70 S   OH5  _O19    74     1.42596   109.70477   171.70942
   77    76 S   HO   _H44    75     0.97255   108.21390   -57.66047
   78    62 S   OS1  _O17    68     1.42857   110.55905   -71.49655
   79    74 S   CT   _C18    69     1.52977   111.55384  -175.04900
   80    79 S   HC   _H41    70     1.09501   111.01510    69.29293
   81    79 S   HC   _H42    71     1.09397   111.55619   -53.12689
   82    79 S   OH5  _O24    72     1.42514   109.02566  -172.07122
   83    82 S   HO   _H49    73     0.97246   107.00081  -178.72038
  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  10   5   4   3
  18   8   2   1   1  15   7  16  16   8   4   3   2   4   1   4
   1   9   5   5   1   6   2   6   8   4   3   1   8  13   6  12
   7  13   7   4   1  12   7   3   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    59    40    42    46    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    50    57    59    60    40    42    43    44    45    46    47    52    48    49  
   38    39    41    59    40    42    46    48  
   36    37  
   37  
    0  
   39    41    50    51    54    57    59    60    40    42    46    52    53    48    49  
   41    50    59    40    52    48    49  
   42    43    44    45    46    47    61    52    48    41    50    56    57    58    59    60  
   50    51    54    55    56    57    58    59    60    42    46    61    52    53    48    49  
   43    44    45    46    47    57    59    60  
   44    45    46    59  
   45    46    59  
   46    59  
   47    57    59    60  
   59  
   49    50    52    59  
    0  
   51    54    55    56    57    59    60    52    53  
   54    55    56    59    52  
   53    54    57    59    60  
   59  
   55    56    57    58    59    61  
   56    57  
   57    58    59    60    61    62  
   58    59    60    61    62    63    64    78  
   59    60    61    62  
   60    61    62  
   61  
   62    63    64    65    66    74    78    68  
   63    64    65    66    67    70    74    75    78    79    72    68    69  
   64    65    66    74    78    68  
   65    66    67    70    71    74    78    76    72    73    68    69  
   66    67    70    78    72    68    69  
   67    70    71    74    75    78    79    76    77    72    73    68    69  
   70    71    74    76    72    73    68  
   69    70    72    78  
    0  
   71    74    75    78    79    80    81    82    76    77    72    73  
   74    75    78    79    76    77    72  
   73    74    76  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    48   320.000  1.410
   41    50   317.000  1.510
   41    59   268.000  1.529
   41    52   320.000  1.410
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    56   440.000  1.360
   56    57   320.000  1.380
   57    58   340.000  1.090
   57    59   250.000  1.527
   57    61   320.000  1.380
   59    60   340.000  1.090
   59    40   268.000  1.529
   40    42   268.000  1.529
   40    46   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   46    47   553.000  0.945
   61    62   370.000  1.399
   62    63   360.000  1.097
   62    64   255.000  1.525
   62    78   370.000  1.399
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    68   355.000  1.421
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   355.000  1.421
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   72    73   580.000  0.967
   68    69   580.000  0.967
   52    53   553.000  0.945
   48    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    48    50.00000  109.50000
   33    40    59    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    50    70.00000  112.02700
   38    41    59    58.35000  112.70000
   38    41    52    50.00000  109.50000
   38    48    49    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    50    51    35.00000  117.00000
   41    50    54    70.00000  124.00000
   41    59    57    75.00000  109.43000
   41    59    60    37.50000  110.70000
   41    59    40    58.35000  112.70000
   41    52    53    55.00000  108.50000
   50    54    55    35.00000  120.00000
   50    54    56    80.00000  120.01400
   54    50    51    35.00000  120.00000
   54    56    57    85.00000  113.97000
   56    54    55    55.00000  109.52600
   56    57    58    35.00000  109.50000
   56    57    59    90.00000  108.56700
   56    57    61    92.60000  111.55000
   57    59    60    45.00000  108.72000
   57    59    40    75.00000  109.43000
   57    61    62    90.00000  112.10700
   59    41    50    70.00000  112.02700
   59    57    58    45.00000  112.01100
   59    40    42    58.35000  112.70000
   59    40    46    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    59    60    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    37.50000  110.70000
   40    46    47    55.00000  108.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   46    40    42    50.00000  109.50000
   61    57    58    35.00000  109.50000
   61    57    59    90.00000  108.56700
   61    62    63    60.00000  105.75400
   61    62    64    90.00000  109.70700
   61    62    78   110.00000  113.16000
   62    64    65    45.00000  109.54000
   62    64    66    70.00000  111.10000
   62    64    68    90.00000  109.42000
   62    78    74    90.00000  112.10700
   64    62    63    45.00000  111.65000
   64    66    67    37.50000  110.70000
   64    66    70    58.35000  112.70000
   64    66    72    90.00000  111.45300
   64    68    69    65.00000  108.53500
   66    64    65    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    74    58.35000  112.70000
   66    70    76    90.00000  111.45300
   66    72    73    65.00000  108.53500
   70    66    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    78    95.00000  107.88500
   70    74    79    58.35000  112.70000
   70    76    77    65.00000  108.53500
   74    70    71    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    62    63    60.00000  105.75400
   78    62    64    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    70    71    60.00000  109.39000
   76    70    74    90.00000  111.45300
   72    66    67    60.00000  109.39000
   72    66    70    90.00000  111.45300
   68    64    65    60.00000  109.39000
   68    64    66    90.00000  111.45300
   52    41    50    90.00000  110.39200
   52    41    59    50.00000  109.50000
   48    38    39    35.00000  109.50000
   48    38    41    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    48   0.56750  1.0 1.0
   29    33    38    48  -0.07550 -1.0 2.0
   29    33    38    48   0.20000  1.0 3.0
   29    33    40    59   0.44750  1.0 1.0
   29    33    40    59  -0.17800 -1.0 2.0
   29    33    40    59   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   33    38    41    50   0.34400  1.0 1.0
   33    38    41    50   0.09450 -1.0 2.0
   33    38    41    50   0.11100  1.0 3.0
   33    38   -41    59   0.56750  1.0 1.0
   33    38   -41    59  -0.07550 -1.0 2.0
   33    38   -41    59   0.20000  1.0 3.0
   33    38    41    52   0.86500  1.0 1.0
   33    38    41    52  -0.17500 -1.0 2.0
   33    38    41    52   0.20800  1.0 3.0
   33    38    48    49  -0.11600  1.0 1.0
   33    38    48    49  -0.09450 -1.0 2.0
   33    38    48    49   0.21250  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    45   0.15000  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    48   0.23400  1.0 3.0
   34    33    40    59   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    46   0.23400  1.0 3.0
   38    33   -40    59   0.56750  1.0 1.0
   38    33   -40    59  -0.07550 -1.0 2.0
   38    33   -40    59   0.20000  1.0 3.0
   38    33    40    42   0.56750  1.0 1.0
   38    33    40    42  -0.07550 -1.0 2.0
   38    33    40    42   0.20000  1.0 3.0
   38    33    40    46   0.86500  1.0 1.0
   38    33    40    46  -0.17500 -1.0 2.0
   38    33    40    46   0.20800  1.0 3.0
   38    41    50    51   0.00000  1.0 1.0
   38    41    50    54   0.09850  1.0 1.0
   38    41    50    54   0.15250 -1.0 2.0
   38    41    50    54  -0.50650  1.0 3.0
   38    41    59    57   3.97050  1.0 1.0
   38    41    59    60   0.15000  1.0 3.0
   38    41   -59    40   0.56750  1.0 1.0
   38    41   -59    40  -0.07550 -1.0 2.0
   38    41   -59    40   0.20000  1.0 3.0
   38    41    52    53  -0.11600  1.0 1.0
   38    41    52    53  -0.09450 -1.0 2.0
   38    41    52    53   0.21250  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    41    59   0.15000  1.0 3.0
   39    38    41    52   0.23400  1.0 3.0
   39    38    48    49   0.19450  1.0 3.0
   41    38    48    49  -0.11600  1.0 1.0
   41    38    48    49  -0.09450 -1.0 2.0
   41    38    48    49   0.21250  1.0 3.0
   41    50    54    55   7.00000 -1.0 2.0
   41    50    54    56   7.00000 -1.0 2.0
   41    59   -40    33   0.56750  1.0 1.0
   41    59   -40    33  -0.07550 -1.0 2.0
   41    59   -40    33   0.20000  1.0 3.0
   41    59    40    42   0.56750  1.0 1.0
   41    59    40    42  -0.07550 -1.0 2.0
   41    59    40    42   0.20000  1.0 3.0
   41    59    40    46   0.86500  1.0 1.0
   41    59    40    46  -0.17500 -1.0 2.0
   41    59    40    46   0.20800  1.0 3.0
   50    41    59    57   0.34400  1.0 1.0
   50    41    59    57   0.09450 -1.0 2.0
   50    41    59    57   0.11100  1.0 3.0
   50    41    59    60   0.15000  1.0 3.0
   50    41    59    40   0.34400  1.0 1.0
   50    41    59    40   0.09450 -1.0 2.0
   50    41    59    40   0.11100  1.0 3.0
   50    41    52    53  -0.07800  1.0 1.0
   50    41    52    53  -0.21500 -1.0 2.0
   50    41    52    53  -0.03150  1.0 3.0
   50    54   -56    57  -2.26850  1.0 1.0
   50    54   -56    57   3.39050 -1.0 2.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    56   7.00000 -1.0 2.0
   54    56    57    58   0.08050  1.0 3.0
   54    56    57    59  -0.46850  1.0 1.0
   54    56    57    59   0.09300 -1.0 2.0
   54    56    57    59  -0.12850  1.0 3.0
   54    56    57    61  -0.48150  1.0 1.0
   54    56    57    61   0.09250 -1.0 2.0
   54    56    57    61  -0.12850  1.0 3.0
   55    54    56    57   0.50000 -1.0 2.0
   56    57   -59    41   0.62750  1.0 1.0
   56    57   -59    41  -0.30950 -1.0 2.0
   56    57   -59    41   0.27300  1.0 3.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    40   0.62750  1.0 1.0
   56    57    59    40  -0.30950 -1.0 2.0
   56    57    59    40   0.27300  1.0 3.0
   56    57    61    62  -0.53350  1.0 1.0
   56    57    61    62  -0.78350 -1.0 2.0
   56    57    61    62   0.33750  1.0 3.0
   57    59    40    33   3.97050  1.0 1.0
   57    59    40    42   3.97050  1.0 1.0
   57    59    40    46   0.86500  1.0 1.0
   57    59    40    46  -0.17500 -1.0 2.0
   57    59    40    46   0.20800  1.0 3.0
   57    61    62    63   0.37050  1.0 3.0
   57    61    62    64   0.06250  1.0 1.0
   57    61    62    64  -0.01100 -1.0 2.0
   57    61    62    64   0.28050  1.0 3.0
   57    61    62    78  -0.12700  1.0 1.0
   57    61    62    78  -1.16200 -1.0 2.0
   57    61    62    78   0.58800  1.0 3.0
   58    57    59    41   0.15000  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    40   0.15000  1.0 3.0
   58    57    61    62   0.37050  1.0 3.0
   59    41    50    51   0.00000  1.0 1.0
   59    41   -50    54   0.09850  1.0 1.0
   59    41   -50    54   0.15250 -1.0 2.0
   59    41   -50    54  -0.50650  1.0 3.0
   59    41    52    53  -0.11600  1.0 1.0
   59    41    52    53  -0.09450 -1.0 2.0
   59    41    52    53   0.21250  1.0 3.0
   59    57    61    62   0.06250  1.0 1.0
   59    57    61    62  -0.01100 -1.0 2.0
   59    57    61    62   0.28050  1.0 3.0
   59    40    42    43   0.15000  1.0 3.0
   59    40    42    44   0.15000  1.0 3.0
   59    40    42    45   0.15000  1.0 3.0
   59    40    46    47  -0.11600  1.0 1.0
   59    40    46    47  -0.09450 -1.0 2.0
   59    40    46    47   0.21250  1.0 3.0
   60    59    40    33   0.15000  1.0 3.0
   60    59    40    42   0.15000  1.0 3.0
   60    59    40    46   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    48   0.86500  1.0 1.0
   40    33    38    48  -0.17500 -1.0 2.0
   40    33    38    48   0.20800  1.0 3.0
   42    40    46    47  -0.11600  1.0 1.0
   42    40    46    47  -0.09450 -1.0 2.0
   42    40    46    47   0.21250  1.0 3.0
   46    40    42    43   0.23400  1.0 3.0
   46    40    42    44   0.23400  1.0 3.0
   46    40    42    45   0.23400  1.0 3.0
   61    57    59    41   0.62750  1.0 1.0
   61    57    59    41  -0.30950 -1.0 2.0
   61    57    59    41   0.27300  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    40   0.62750  1.0 1.0
   61    57    59    40  -0.30950 -1.0 2.0
   61    57    59    40   0.27300  1.0 3.0
   61    62    64    65   0.23400  1.0 3.0
   61    62    64    66   0.62750  1.0 1.0
   61    62    64    66  -0.30950 -1.0 2.0
   61    62    64    66   0.27300  1.0 3.0
   61    62    64    68   1.51850  1.0 1.0
   61    62    78    74  -0.70400  1.0 1.0
   61    62    78    74  -0.90350 -1.0 2.0
   62    64    66    67   0.15000  1.0 3.0
   62    64    66    70   0.56750  1.0 1.0
   62    64    66    70  -0.07550 -1.0 2.0
   62    64    66    70   0.20000  1.0 3.0
   62    64    66    72  -0.47750  1.0 1.0
   62    64    68    69   0.29150  1.0 1.0
   62    64    68    69  -0.28350 -1.0 2.0
   62    64    68    69   0.43600  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    68   0.23400  1.0 3.0
   63    62    78    74   0.37050  1.0 3.0
   64    62    78    74   0.06250  1.0 1.0
   64    62    78    74  -0.01100 -1.0 2.0
   64    62    78    74   0.28050  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66   -70    74   0.56750  1.0 1.0
   64    66   -70    74  -0.07550 -1.0 2.0
   64    66   -70    74   0.20000  1.0 3.0
   64    66    70    76  -0.47750  1.0 1.0
   64    66    72    73   0.29150  1.0 1.0
   64    66    72    73  -0.28350 -1.0 2.0
   64    66    72    73   0.43600  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    66    72   0.23400  1.0 3.0
   65    64    68    69   0.19450  1.0 3.0
   66    64    68    69   0.29150  1.0 1.0
   66    64    68    69  -0.28350 -1.0 2.0
   66    64    68    69   0.43600  1.0 3.0
   66    70    74    75   0.15000  1.0 3.0
   66    70    74    78   0.62750  1.0 1.0
   66    70    74    78  -0.30950 -1.0 2.0
   66    70    74    78   0.27300  1.0 3.0
   66    70    74    79   0.56750  1.0 1.0
   66    70    74    79  -0.07550 -1.0 2.0
   66    70    74    79   0.20000  1.0 3.0
   66    70    76    77   0.29150  1.0 1.0
   66    70    76    77  -0.28350 -1.0 2.0
   66    70    76    77   0.43600  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    74   0.15000  1.0 3.0
   67    66    70    76   0.23400  1.0 3.0
   67    66    72    73   0.19450  1.0 3.0
   70    66    72    73   0.29150  1.0 1.0
   70    66    72    73  -0.28350 -1.0 2.0
   70    66    72    73   0.43600  1.0 3.0
   70    74   -78    62   0.06250  1.0 1.0
   70    74   -78    62  -0.01100 -1.0 2.0
   70    74   -78    62   0.28050  1.0 3.0
   70    74    79    80   0.15000  1.0 3.0
   70    74    79    81   0.15000  1.0 3.0
   70    74    79    82  -0.47750  1.0 1.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    78   0.23400  1.0 3.0
   71    70    74    79   0.15000  1.0 3.0
   71    70    76    77   0.19450  1.0 3.0
   74    70    76    77   0.29150  1.0 1.0
   74    70    76    77  -0.28350 -1.0 2.0
   74    70    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    62   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    62    64    65   0.23400  1.0 3.0
   78    62   -64    66   0.62750  1.0 1.0
   78    62   -64    66  -0.30950 -1.0 2.0
   78    62   -64    66   0.27300  1.0 3.0
   78    62    64    68   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    62   0.06250  1.0 1.0
   79    74    78    62  -0.01100 -1.0 2.0
   79    74    78    62   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    70    74    75   0.23400  1.0 3.0
   76    70    74    78   1.51850  1.0 1.0
   76    70    74    79  -0.47750  1.0 1.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    74  -0.47750  1.0 1.0
   72    66    70    76   3.77950  1.0 1.0
   68    64    66    67   0.23400  1.0 3.0
   68    64    66    70  -0.47750  1.0 1.0
   68    64    66    72   3.77950  1.0 1.0
   52    41    50    51   0.00000  1.0 1.0
   52    41    50    54   0.67800  1.0 1.0
   52    41    50    54   0.47050 -1.0 2.0
   52    41    50    54  -0.62500  1.0 3.0
   52    41    59    57   0.86500  1.0 1.0
   52    41    59    57  -0.17500 -1.0 2.0
   52    41    59    57   0.20800  1.0 3.0
   52    41    59    60   0.23400  1.0 3.0
   52    41    59    40   0.86500  1.0 1.0
   52    41    59    40  -0.17500 -1.0 2.0
   52    41    59    40   0.20800  1.0 3.0
   48    38    41    50   1.05650  1.0 1.0
   48    38    41    50   0.15600 -1.0 2.0
   48    38    41    50   0.53150  1.0 3.0
   48    38    41    59   0.86500  1.0 1.0
   48    38    41    59  -0.17500 -1.0 2.0
   48    38    41    59   0.20800  1.0 3.0
   48    38    41    52   3.75450  1.0 1.0
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
   37    30    35    36  10.50000 -1.0 2.0
   41    51    50    54   1.10000 -1.0 2.0
   56    55    54    50   1.10000 -1.0 2.0
END
