* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    245     461
    1     0 S   NP   _N1_     1    29.46052    98.57428   -19.58468
    2     1 S   H    _HN1     2     1.02803    99.54977  -118.26931
    3     1 S   H    _H1_     3     1.02843    61.49496   -12.53241
    4     1 S   H    _H2_     4     1.02970    51.79518   136.41339
    5     1 S   CT   _CA1     5     1.50716   147.82096    72.51052
    6     5 S   HC   _HA1     6     1.09635   104.40710   113.29902
    7     5 S   CO3  _C1_     7     1.54443   110.96771    -2.27064
    8     7 S   O2Z  _O11     8     1.25955   116.90424  -130.94136
    9     7 S   O2Z  _O12     9     1.26642   113.67503    48.55212
   10     5 S   CT   _CB1    10     1.52988   106.78368  -130.52008
   11    10 S   HC   HB11    11     1.09862   109.83662   -38.42415
   12    10 S   HC   HB12    12     1.09786   110.05729    78.05634
   13    10 S   CT   _CG1    13     1.53114   112.94372  -159.01808
   14    13 S   HC   HG11    14     1.09313   111.21556   -61.04860
   15    13 S   HC   HG12    15     1.09662   109.76554    58.18042
   16    13 S   C    _CD1    16     1.51825   111.50620   177.98501
   17    16 S   O    _OE1    17     1.22820   123.04016     3.80951
   18    16 S   N    _N2_    18     1.38597   112.18890  -175.35869
   19    18 S   H    _HN2    19     1.01696   119.30814    -1.04005
   20    18 S   CT1  _CA2    20     1.46108   122.90570   175.12906
   21    20 S   HC   _HA2    21     1.09743   109.14240     5.94455
   22    20 S   C    _C2_    22     1.53701   109.06104  -109.30563
   23    22 S   O    _O2_    23     1.23103   122.16474  -151.52988
   24    20 S   CT   _CB2    32     1.53200   112.24202   127.71159
   25    24 S   HC   HB21    33     1.09298   110.55096    61.86773
   26    24 S   HC   HB22    34     1.09580   109.83086   178.94761
   27    22 S   N    _N3_    24     1.38330   113.93797    36.21791
   28    27 S   H    _HN3    25     1.01542   119.55081    -4.41730
   29    24 S   S    _SG2    35     1.82924   112.31750   -62.85488
   30    27 S   CT   _CA3    26     1.45262   123.25557   177.00161
   31    30 S   HC   HA31    27     1.09553   107.65033   -60.61817
   32    30 S   HC   HA32    28     1.09555   107.81937    55.78982
   33    29 S   CT   _C23    36     1.83895   100.38897   122.02541
   34    33 S   HC   _H3_    37     1.09519   106.53669    43.49596
   35    30 S   CO3  _C3_    29     1.52967   114.10986   177.62900
   36    35 S   O2Z  _O31    30     1.26381   116.12624    -1.57570
   37    35 S   O2Z  _O32    31     1.26444   114.41168   178.40713
   38    33 S   CM   _C11    38     1.53558   111.29681   -78.38258
   39    33 S   CT   _C22    80     1.53147   108.67578   156.90808
   40    39 S   HC   _H46    81     1.09571   112.72206    57.31668
   41    39 S   HC   _H47    82     1.09637   110.83580   -63.34053
   42    39 S   HC   _H48    83     1.09608   110.54315   177.98763
   43    38 S   CMA  _C12    39     1.36835   122.17931   112.85665
   44    43 S   OM   _O21    40     1.26851   125.37055    -1.46820
   45    38 S   CT   _C19    76     1.52003   115.26861   -69.25551
   46    45 S   HC   _H37    77     1.09446   110.28361   -65.33268
   47    45 S   HC   _H38    78     1.09297   113.88934   175.03509
   48    45 S   HC   _H39    79     1.09393   111.04124    55.03512
   49    43 S   OS   _O26    41     1.41766   111.87510  -179.92598
   50    49 S   CT   _C17    42     1.45405   116.64318  -138.41189
   51    50 S   HC   _H36    43     1.09622   109.00270   -36.74128
   52    50 S   CT   _C14    44     1.54826   107.25787    82.15897
   53    52 S   HC   _H33    45     1.10182   106.15861   -35.57675
   54    50 S   CT   _C18    64     1.54544   106.93969  -152.09770
   55    52 S   CM   _C6_    46     1.49326   120.58704  -151.94293
   56    54 S   CT   _C21    65     1.54231   112.19545   170.55452
   57    56 S   HC   _H43    66     1.09086   113.36060    60.51319
   58    56 S   HC   _H44    67     1.09697   110.60587   -59.61931
   59    56 S   HC   _H45    68     1.09656   111.60607  -178.07105
   60    55 S   CO4  _C8_    47     1.48335   106.71183  -164.33210
   61    60 S   O    _O23    48     1.21708   127.28515  -165.82500
   62    55 S   CM   _C10    73     1.33488   131.53712    16.01537
   63    62 S   HC   _H30    74     1.08409   121.51018     0.25641
   64    62 S   HC   _H31    75     1.08535   121.47068   179.87967
   65    60 S   OS   _O25    49     1.36970   106.61931    12.58329
   66    52 S   CT   _C16    50     1.52657   120.28950    83.17174
   67    66 S   HC   _H35    51     1.09453   112.29483   -73.57117
   68    66 S   CO4  _C9_    52     1.53514   118.46994    55.52533
   69    68 S   O    _O24    53     1.23543   121.70936   103.69213
   70    68 S   CT   _C15    54     1.52268   119.27672   -79.94207
   71    70 S   HC   _H34    55     1.09826   106.80979   151.95728
   72    70 S   CT   _C13    56     1.53009   112.10676    32.25876
   73    72 S   HC   _H32    57     1.09881   107.73612   -73.58568
   74    70 S   CT   _C20    69     1.52970   107.88895   -92.33994
   75    74 S   HC   _H40    70     1.09548   111.35613    67.72682
   76    74 S   HC   _H41    71     1.09584   110.89809   -51.64090
   77    74 S   HC   _H42    72     1.09365   111.34113  -171.19565
   78    72 S   CM   _C5_    58     1.50640   114.84771   169.48581
   79    78 S   HC   _H29    59     1.08199   122.83863    42.99775
   80    78 S   CM   _C4_    60     1.33369   114.66540  -142.37909
   81    80 S   HC   _H28    61     1.07528   128.77694  -175.95945
   82    80 S   CO4  _C7_    62     1.47053   105.64574     4.39213
   83    82 S   O    _O22    63     1.22216   122.40142  -173.43260
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  22   8  17   8  18   9  10   4   3   2   8   3   4   1   1
   5   7   3  10   4  11   7  11   5   4   2   1   1   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    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    55    66    72    82    54    56  
   51    52    53    55    60    65    66    67    68    70    72    73    78    80    82    83    54    56    57    58    59    62  
   52    53    55    66    72    82    54    56  
   53    55    60    61    65    66    67    68    69    70    72    82    54    56    62    63    64  
   55    60    65    66    67    68    54    62  
   56    57    58    59    74    55    66    68    70    71    72    73    78    79    80    81    82    83  
   60    61    65    66    67    68    62    63    64  
   57    58    59    70    72    73    78    80    82    83  
   58    59    72    82  
   59    72    82  
   72    82  
   61    65    66    67    68    62    63    64  
   65    66    62  
   63    64    65    66  
   64  
    0  
   66    67    68    69    70  
   67    68    69    70    71    72    74  
   68    69    70  
   69    70    71    72    73    78    74    75    76    77  
   70    71    72    74  
   71    72    73    78    79    80    82    74    75    76    77  
   72    73    78    74    75    76    77  
   73    78    79    80    81    82    83    74    75    76    77  
   78    79    80    82    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83  
   80    81    82  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    66   268.000  1.529
   55    60   320.000  1.462
   55    62   549.000  1.340
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.522
   68    69   570.000  1.229
   68    70   317.000  1.522
   70    71   340.000  1.090
   70    72   268.000  1.529
   70    74   268.000  1.529
   72    73   340.000  1.090
   72    78   317.000  1.510
   72    54   268.000  1.529
   78    79   340.000  1.080
   78    80   549.000  1.340
   80    81   340.000  1.080
   80    82   320.000  1.462
   82    83   570.000  1.229
   82    54   317.000  1.522
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   62    63   340.000  1.080
   62    64   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    66    58.35000  112.70000
   50    54    72    58.35000  112.70000
   50    54    82    63.00000  111.10000
   50    54    56    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    60    65.00000  116.34900
   52    55    62    70.00000  124.00000
   52    66    65    50.00000  109.50000
   52    66    67    37.50000  110.70000
   52    66    68    63.00000  111.10000
   55    52    53    35.00000  109.50000
   55    60    61    80.00000  123.72100
   55    60    65    90.00000  111.29400
   55    62    63    35.00000  120.00000
   55    62    64    35.00000  120.00000
   60    65    66    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    90.00000  108.74100
   66    52    53    37.50000  110.70000
   66    52    55    70.00000  112.02700
   66    68    69    80.00000  120.40000
   66    68    70    70.00000  116.00000
   68    66    67    35.00000  109.50000
   68    70    71    35.00000  109.50000
   68    70    72    63.00000  111.10000
   68    70    74    63.00000  111.10000
   70    68    69    80.00000  120.40000
   70    72    73    37.50000  110.70000
   70    72    78    70.00000  112.02700
   70    72    54    58.35000  112.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   72    70    71    37.50000  110.70000
   72    78    79    35.00000  117.00000
   72    78    80    70.00000  124.00000
   72    54    82    63.00000  111.10000
   72    54    56    58.35000  112.70000
   78    72    73    35.00000  109.50000
   78    80    81    35.00000  120.00000
   78    80    82    65.00000  118.96000
   80    78    79    35.00000  120.00000
   80    82    83    80.00000  123.72100
   80    82    54    65.00000  118.62400
   82    80    81    40.00000  117.72500
   82    54    56    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    72    73    37.50000  110.70000
   54    72    78    70.00000  112.02700
   54    82    83    80.00000  120.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   62    55    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    55   0.61850  1.0 1.0
   49    50    52    55  -0.22750 -1.0 2.0
   49    50    52    55   0.15300  1.0 3.0
   49    50    52    66   0.62750  1.0 1.0
   49    50    52    66  -0.30950 -1.0 2.0
   49    50    52    66   0.27300  1.0 3.0
   49    50    54    72   0.62750  1.0 1.0
   49    50    54    72  -0.30950 -1.0 2.0
   49    50    54    72   0.27300  1.0 3.0
   49    50    54    82  -0.09450  1.0 1.0
   49    50    54    82  -1.12950 -1.0 2.0
   49    50    54    82   0.54000  1.0 3.0
   49    50    54    56   0.62750  1.0 1.0
   49    50    54    56  -0.30950 -1.0 2.0
   49    50    54    56   0.27300  1.0 3.0
   50    52    55    60   0.09700  1.0 1.0
   50    52    55    60   0.15600 -1.0 2.0
   50    52    55    60  -0.50800  1.0 3.0
   50    52    55    62   0.09850  1.0 1.0
   50    52    55    62   0.15250 -1.0 2.0
   50    52    55    62  -0.50650  1.0 3.0
   50    52    66    65   0.62750  1.0 1.0
   50    52    66    65  -0.30950 -1.0 2.0
   50    52    66    65   0.27300  1.0 3.0
   50    52    66    67   0.15000  1.0 3.0
   50    52    66    68  -0.95700  1.0 1.0
   50    52    66    68  -0.18200 -1.0 2.0
   50    52    66    68   0.29450  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54    56    58   0.15000  1.0 3.0
   50    54    56    59   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    66   0.15000  1.0 3.0
   51    50    54    72   0.15000  1.0 3.0
   51    50    54    82  -0.11250  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    72   0.56750  1.0 1.0
   52    50    54    72  -0.07550 -1.0 2.0
   52    50    54    72   0.20000  1.0 3.0
   52    50    54    82  -0.95700  1.0 1.0
   52    50    54    82  -0.18200 -1.0 2.0
   52    50    54    82   0.29450  1.0 3.0
   52    50    54    56   0.56750  1.0 1.0
   52    50    54    56  -0.07550 -1.0 2.0
   52    50    54    56   0.20000  1.0 3.0
   52    55    60    61  -0.64400  1.0 1.0
   52    55    60    61   0.26850 -1.0 2.0
   52    55   -60    65  -0.15000  1.0 1.0
   52    55   -60    65   0.89550 -1.0 2.0
   52    55   -60    65  -0.06900  1.0 3.0
   52    55    62    63   7.00000 -1.0 2.0
   52    55    62    64   7.00000 -1.0 2.0
   52    66    68    69   0.30150 -1.0 2.0
   52    66    68    70   0.60050  1.0 1.0
   52    66    68    70   0.05600 -1.0 2.0
   52    66    68    70   0.26150  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   53    52    55    62   0.00000  1.0 1.0
   53    52    66    65   0.23400  1.0 3.0
   53    52    66    67   0.15000  1.0 3.0
   53    52    66    68  -0.11250  1.0 3.0
   55    52   -66    65   0.61850  1.0 1.0
   55    52   -66    65  -0.22750 -1.0 2.0
   55    52   -66    65   0.15300  1.0 3.0
   55    52    66    67   0.15000  1.0 3.0
   55    52    66    68  -0.98800  1.0 1.0
   55    52    66    68   0.48800 -1.0 2.0
   55    52    66    68   0.76800  1.0 3.0
   55    60   -65    66   2.00000 -1.0 2.0
   60    55    62    63   7.00000 -1.0 2.0
   60    55    62    64   7.00000 -1.0 2.0
   60    65   -66    52  -0.25900  1.0 1.0
   60    65   -66    52  -0.47000 -1.0 2.0
   60    65   -66    52   0.11750  1.0 3.0
   60    65    66    67   0.08050  1.0 3.0
   60    65    66    68  -1.80650  1.0 1.0
   60    65    66    68   0.63900 -1.0 2.0
   60    65    66    68   0.03650  1.0 3.0
   61    60    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.30150 -1.0 2.0
   65    66    68    70   0.55300  1.0 1.0
   65    66    68    70   1.25850 -1.0 2.0
   65    66    68    70  -0.23600  1.0 3.0
   66    52   -55    60   0.09700  1.0 1.0
   66    52   -55    60   0.15600 -1.0 2.0
   66    52   -55    60  -0.50800  1.0 3.0
   66    52    55    62   0.09850  1.0 1.0
   66    52    55    62   0.15250 -1.0 2.0
   66    52    55    62  -0.50650  1.0 3.0
   66    68    70    71   0.00000  1.0 1.0
   66    68    70    72   0.60050  1.0 1.0
   66    68    70    72   0.05600 -1.0 2.0
   66    68    70    72   0.26150  1.0 3.0
   66    68    70    74   0.60050  1.0 1.0
   66    68    70    74   0.05600 -1.0 2.0
   66    68    70    74   0.26150  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   68    70    72    73  -0.11250  1.0 3.0
   68    70    72    78  -0.98800  1.0 1.0
   68    70    72    78   0.48800 -1.0 2.0
   68    70    72    78   0.76800  1.0 3.0
   68    70    72    54  -0.95700  1.0 1.0
   68    70    72    54  -0.18200 -1.0 2.0
   68    70    72    54   0.29450  1.0 3.0
   68    70    74    75  -0.11250  1.0 3.0
   68    70    74    76  -0.11250  1.0 3.0
   68    70    74    77  -0.11250  1.0 3.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   0.30150 -1.0 2.0
   69    68    70    74   0.30150 -1.0 2.0
   70    72    78    79   0.00000  1.0 1.0
   70    72    78    80   0.09850  1.0 1.0
   70    72    78    80   0.15250 -1.0 2.0
   70    72    78    80  -0.50650  1.0 3.0
   70    72    54    50   0.56750  1.0 1.0
   70    72    54    50  -0.07550 -1.0 2.0
   70    72    54    50   0.20000  1.0 3.0
   70    72    54    82  -0.95700  1.0 1.0
   70    72    54    82  -0.18200 -1.0 2.0
   70    72    54    82   0.29450  1.0 3.0
   70    72    54    56   0.56750  1.0 1.0
   70    72    54    56  -0.07550 -1.0 2.0
   70    72    54    56   0.20000  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    78   0.15000  1.0 3.0
   71    70    72    54   0.15000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    74    77   0.15000  1.0 3.0
   72    70    74    75   0.15000  1.0 3.0
   72    70    74    76   0.15000  1.0 3.0
   72    70    74    77   0.15000  1.0 3.0
   72    78    80    81   7.00000 -1.0 2.0
   72    78   -80    82   7.00000 -1.0 2.0
   72    54    56    57   0.15000  1.0 3.0
   72    54    56    58   0.15000  1.0 3.0
   72    54    56    59   0.15000  1.0 3.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    54    50   0.15000  1.0 3.0
   73    72    54    82  -0.11250  1.0 3.0
   73    72    54    56   0.15000  1.0 3.0
   78    72    54    50   0.34400  1.0 1.0
   78    72    54    50   0.09450 -1.0 2.0
   78    72    54    50   0.11100  1.0 3.0
   78    72   -54    82  -0.98800  1.0 1.0
   78    72   -54    82   0.48800 -1.0 2.0
   78    72   -54    82   0.76800  1.0 3.0
   78    72    54    56   0.34400  1.0 1.0
   78    72    54    56   0.09450 -1.0 2.0
   78    72    54    56   0.11100  1.0 3.0
   78    80    82    83   1.00000 -1.0 2.0
   78    80   -82    54  -0.33500  1.0 1.0
   78    80   -82    54   1.06600 -1.0 2.0
   78    80   -82    54  -0.14000  1.0 3.0
   79    78    80    81   7.00000 -1.0 2.0
   79    78    80    82   7.00000 -1.0 2.0
   80    82    54    50   0.65300  1.0 1.0
   80    82    54    50  -0.03850 -1.0 2.0
   80    82    54    50   0.33900  1.0 3.0
   80    82   -54    72   0.65300  1.0 1.0
   80    82   -54    72  -0.03850 -1.0 2.0
   80    82   -54    72   0.33900  1.0 3.0
   80    82    54    56   0.65300  1.0 1.0
   80    82    54    56  -0.03850 -1.0 2.0
   80    82    54    56   0.33900  1.0 3.0
   81    80    82    83   0.00000  1.0 1.0
   81    80    82    54   0.04550  1.0 1.0
   81    80    82    54   0.83000 -1.0 2.0
   81    80    82    54  -0.04000  1.0 3.0
   82    54    56    57  -0.11250  1.0 3.0
   82    54    56    58  -0.11250  1.0 3.0
   82    54    56    59  -0.11250  1.0 3.0
   83    82    54    50   0.30150 -1.0 2.0
   83    82    54    72   0.30150 -1.0 2.0
   83    82    54    56   0.30150 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    55   0.34400  1.0 1.0
   54    50    52    55   0.09450 -1.0 2.0
   54    50    52    55   0.11100  1.0 3.0
   54    50    52    66   0.56750  1.0 1.0
   54    50    52    66  -0.07550 -1.0 2.0
   54    50    52    66   0.20000  1.0 3.0
   54    72    78    79   0.00000  1.0 1.0
   54    72   -78    80   0.09850  1.0 1.0
   54    72   -78    80   0.15250 -1.0 2.0
   54    72   -78    80  -0.50650  1.0 3.0
   74    70    72    73   0.15000  1.0 3.0
   74    70    72    78   0.34400  1.0 1.0
   74    70    72    78   0.09450 -1.0 2.0
   74    70    72    78   0.11100  1.0 3.0
   74    70    72    54   0.56750  1.0 1.0
   74    70    72    54  -0.07550 -1.0 2.0
   74    70    72    54   0.20000  1.0 3.0
   62    55    60    61   1.00000 -1.0 2.0
   62    55    60    65  -0.56150  1.0 1.0
   62    55    60    65   2.19150 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    60    55    62   1.10000 -1.0 2.0
   55    65    60    61  10.50000 -1.0 2.0
   66    70    68    69  10.50000 -1.0 2.0
   72    79    78    80   1.10000 -1.0 2.0
   82    81    80    78   1.10000 -1.0 2.0
   80    54    82    83  10.50000 -1.0 2.0
   63    64    62    55   1.10000 -1.0 2.0
END
