* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    160    254     477
    1     0 S   NP   _N1_     1    30.47590    94.26221   -16.57607
    2     1 S   H    _HN1     2     1.02820    95.25102    -3.49088
    3     1 S   H    _H1_     3     1.03265   135.39209   117.01149
    4     1 S   H    _H2_     4     1.02766    28.07622   115.63817
    5     1 S   CT   _CA1     5     1.49918    94.90195  -116.23752
    6     5 S   HC   _HA1     6     1.09578   105.19112    40.93124
    7     5 S   CO3  _C1_     7     1.53780   112.67749   -79.32044
    8     7 S   O2Z  _O11     8     1.26310   115.32815   -51.01887
    9     7 S   O2Z  _O12     9     1.26286   114.79705   128.31465
   10     5 S   CT   _CB1    10     1.52983   107.37133   158.76479
   11    10 S   HC   HB11    11     1.09848   109.61110   -50.09376
   12    10 S   HC   HB12    12     1.09771   110.25329    66.18116
   13    10 S   CT   _CG1    13     1.53030   112.67196  -171.26194
   14    13 S   HC   HG11    14     1.09571   111.29454   -64.47319
   15    13 S   HC   HG12    15     1.09592   110.67158    54.94239
   16    13 S   C    _CD1    16     1.51362   110.09072   174.59394
   17    16 S   O    _OE1    17     1.22796   121.78001  -102.27930
   18    16 S   N    _N2_    18     1.38370   112.70721    76.31238
   19    18 S   H    _HN2    19     1.01582   119.07641     4.85918
   20    18 S   CT1  _CA2    20     1.46185   123.45119  -174.71361
   21    20 S   HC   _HA2    21     1.09726   109.52194    -1.85224
   22    20 S   C    _C2_    22     1.53341   108.41855  -117.86993
   23    22 S   O    _O2_    23     1.23024   122.28106  -142.41917
   24    20 S   CT   _CB2    32     1.53533   110.98742   119.90545
   25    24 S   HC   HB21    33     1.09375   109.08811    59.12887
   26    24 S   HC   HB22    34     1.09486   109.99789   177.58232
   27    22 S   N    _N3_    24     1.38520   113.44711    44.71870
   28    27 S   H    _HN3    25     1.01504   119.03494    -0.08156
   29    24 S   S    _SG2    35     1.83332   111.04860   -62.91090
   30    27 S   CT   _CA3    26     1.45426   123.18660   175.55715
   31    30 S   HC   HA31    27     1.09543   108.92097    30.07383
   32    30 S   HC   HA32    28     1.09489   107.18805   147.00481
   33    29 S   CT   _C9_    36     1.89490   102.71370   159.86438
   34    30 S   CO3  _C3_    29     1.52941   113.38590   -93.19882
   35    34 S   O2Z  _O31    30     1.26379   115.52982   -42.37906
   36    34 S   O2Z  _O32    31     1.26377   114.90275   138.59271
   37    33 S   CM   _C8_    37     1.50904   107.02150   -59.65328
   38    37 S   HC   _H11    38     1.08711   117.25227    91.89646
   39    33 S   CM   _C10    60     1.50421   108.38882    58.12328
   40    39 S   HC   _H12    61     1.09199   115.52944   -59.47045
   41    37 S   CM   _C7_    39     1.33766   123.73538   -85.86143
   42    41 S   CO4  _C16    40     1.48933   115.71273    -0.29007
   43    42 S   O    _O33    41     1.23207   119.32374   153.73040
   44    41 S   CT   _C5_    74     1.51631   126.36011   175.21992
   45    44 S   HC   _H7_    75     1.09712   108.29082  -138.84072
   46    42 S   CMA  _C15    42     1.52727   118.53584   -29.91043
   47    46 S   OM   _O34    43     1.26358   111.42057  -152.90006
   48    44 S   CT   _C4_    76     1.53329   114.76511   -21.03945
   49    48 S   HC   _H4_    77     1.09539   111.93635    67.44332
   50    48 S   HC   _H5_    78     1.09573   111.06711   -53.94005
   51    48 S   HC   _H6_    79     1.09579   110.34399  -173.04565
   52    44 S   CT   _C6_    80     1.53071   110.04608   103.58339
   53    52 S   HC   _H8_    81     1.09592   111.37605   -63.08630
   54    52 S   HC   _H9_    82     1.09544   110.72130   176.86875
   55    52 S   HC   _H10    83     1.09562   111.28602    57.35316
   56    33 S   CM   _C14    44     1.54461   106.56416  -178.81403
   57    56 S   CT   _C13    45     1.59764   114.40486   -95.89797
   58    57 S   CT   _C17    46     1.55926   112.64843  -173.06542
   59    58 S   HC   _H13    47     1.09773   109.46078    51.27888
   60    58 S   HC   _H14    48     1.09718   110.19682   -67.25213
   61    57 S   CT   _C23    70     1.55195   107.42498    69.70595
   62    61 S   HC   _H25    71     1.09042   113.17121   163.08160
   63    61 S   HC   _H26    72     1.09705   110.68208    45.25704
   64    61 S   HC   _H27    73     1.09326   113.08155   -75.92803
   65    58 S   CT   _C18    49     1.51865   115.80040   171.32022
   66    65 S   HC   _H15    50     1.09328   111.92749    64.99672
   67    65 S   HC   _H16    51     1.09708   108.84061  -178.39587
   68    65 S   CT   _C19    52     1.51105   109.83662   -59.22849
   69    68 S   HC   _H17    53     1.09806   108.64545  -177.46302
   70    68 S   HC   _H18    54     1.09908   108.43100   -62.84082
   71    68 S   CT   _C20    55     1.54972   113.73927    59.13402
   72    57 S   CT   _C12    56     1.60613   108.22006   -52.60237
   73    72 S   HC   _H3_    57     1.10601   103.79804   -55.45566
   74    71 S   CT   _C21    62     1.54521   108.59583    73.37912
   75    74 S   HC   _H19    63     1.09248   112.84551   175.77599
   76    74 S   HC   _H20    64     1.09727   110.41136    56.96891
   77    74 S   HC   _H21    65     1.08883   113.13396   -62.10397
   78    71 S   CT   _C22    66     1.55848   104.01316  -172.60530
   79    78 S   HC   _H22    67     1.09237   113.35068  -164.16770
   80    78 S   HC   _H23    68     1.09572   111.18845    73.54472
   81    78 S   HC   _H24    69     1.09740   110.90422   -45.65104
   82    72 S   CMA  _C11    58     1.56238   110.82175    54.70303
   83    82 S   OM   _O35    59     1.25900   115.42014   152.10986
  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
  16   2   1   1  14   5  10   4  15   9   4  10   8   6   2   7
   3   2   1   3   2   1   1  13  18  16   7   6   8   3   2   1
   9   5   4  14   5   4  12  11   4   8   3   2   1   4   2   1
   1   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    56    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    56    57    82    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    47    56    57    58    72    82    83    39    40    61    44  
   35    36  
   36  
    0  
   38    41    42    43    46    56    57    82    39    40    44    45    48    52  
   41    42    56    39    44  
   40    41    46    56    57    71    72    73    82    83  
   56    72    82    83  
   42    43    46    47    56    44    45    48    49    50    51    52    53    54    55  
   43    46    47    56    57    44    45    48    52  
   46    47    56    44  
   45    48    49    50    51    52    53    54    55    46  
   48    49    50    51    52    53    54    55  
   47    56    57    58    72    61  
   56    57  
   49    50    51    52    53    54    55  
   50    51    52  
   51    52  
   52  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    65    71    72    73    82    61    62    63    64  
   58    59    60    65    66    67    68    71    72    73    82    83    74    78    61    62    63    64  
   59    60    65    66    67    68    69    70    71    72    73    82    61    62    63    64  
   60    65    66    67    68    72    61  
   65    66    67    68    72    61  
   62    63    64    65    71    72    73    82  
   63    64    72  
   64    72  
   72  
   66    67    68    69    70    71    72    74    78  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71    72    73    82    74    75    76    77    78    79    80    81  
   70    71    72    74    78  
   71    72    74    78  
   72    73    82    83    74    75    76    77    78    79    80    81  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    78  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   83   3.1500   0.2500  -0.773900   1.7825   1.5750   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    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   317.000  1.510
   33    56   317.000  1.510
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   320.000  1.462
   41    44   317.000  1.510
   42    43   570.000  1.229
   42    46   270.000  1.476
   46    47   745.000  1.250
   46    56   465.000  1.376
   56    57   317.000  1.510
   57    58   268.000  1.529
   57    72   268.000  1.529
   57    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   268.000  1.529
   71    74   268.000  1.529
   71    78   268.000  1.529
   72    73   340.000  1.090
   72    82   270.000  1.512
   82    83   745.000  1.250
   82    39   465.000  1.376
   39    40   340.000  1.080
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    52   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    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  112.20000
   29    33    56    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    56    46    70.00000  124.00000
   33    56    57    65.00000  117.92700
   33    39    82    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    65.00000  118.96000
   37    41    44    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    42    43    80.00000  123.72100
   41    42    46    65.00000  118.65900
   41    44    45    35.00000  109.50000
   41    44    48    70.00000  112.02700
   41    44    52    70.00000  112.02700
   42    46    47    85.00000  116.28000
   42    46    56    65.00000  114.61000
   46    42    43    80.00000  120.81000
   46    56    57    70.00000  124.00000
   56    33    37    70.00000  110.12100
   56    46    47    65.00000  137.10300
   56    57    58    70.00000  112.02700
   56    57    72    70.00000  112.02700
   56    57    61    70.00000  112.02700
   57    58    59    37.50000  110.70000
   57    58    60    37.50000  110.70000
   57    58    65    58.35000  112.70000
   57    72    71    58.35000  112.70000
   57    72    73    37.50000  110.70000
   57    72    82    70.00000  112.02700
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   65    58    59    37.50000  110.70000
   65    58    60    37.50000  110.70000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    37.50000  110.70000
   68    65    67    37.50000  110.70000
   68    71    72    58.35000  112.70000
   68    71    74    58.35000  112.70000
   68    71    78    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    72    73    37.50000  110.70000
   71    72    82    70.00000  112.02700
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   72    57    58    58.35000  112.70000
   72    82    83    85.00000  112.85300
   72    82    39    65.00000  122.18000
   82    72    73    45.00000  110.52000
   82    39    40    40.00000  120.50800
   39    33    37    70.00000  110.12100
   39    33    56    70.00000  110.12100
   39    82    83    65.00000  137.10300
   74    71    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
   78    71    72    58.35000  112.70000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    57    58    58.35000  112.70000
   61    57    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   44    41    42    65.00000  116.34900
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   44    52    53    37.50000  110.70000
   44    52    54    37.50000  110.70000
   44    52    55    37.50000  110.70000
   48    44    45    37.50000  110.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    45    37.50000  110.70000
   52    44    48    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    56    46   0.42700  1.0 1.0
   29    33    56    46  -0.70350 -1.0 2.0
   29    33    56    46  -0.43150  1.0 3.0
   29    33    56    57   0.30250  1.0 1.0
   29    33    56    57  -0.14950 -1.0 2.0
   29    33    56    57   0.36900  1.0 3.0
   29    33    39    82   0.42700  1.0 1.0
   29    33    39    82  -0.70350 -1.0 2.0
   29    33    39    82  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    56    57    58   0.46850  1.0 1.0
   33    56    57    58   0.08550 -1.0 2.0
   33    56    57    58   0.09800  1.0 3.0
   33    56    57    72   0.46850  1.0 1.0
   33    56    57    72   0.08550 -1.0 2.0
   33    56    57    72   0.09800  1.0 3.0
   33    56    57    61   0.46850  1.0 1.0
   33    56    57    61   0.08550 -1.0 2.0
   33    56    57    61   0.09800  1.0 3.0
   37    33    56    46  -0.28300  1.0 1.0
   37    33    56    46   0.26700 -1.0 2.0
   37    33    56    46  -0.63300  1.0 3.0
   37    33    56    57   0.09700  1.0 1.0
   37    33    56    57   0.15600 -1.0 2.0
   37    33    56    57  -0.50800  1.0 3.0
   37    33    39    82  -0.28300  1.0 1.0
   37    33    39    82   0.26700 -1.0 2.0
   37    33    39    82  -0.63300  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    42    43   1.00000 -1.0 2.0
   37    41   -42    46  -1.18350  1.0 1.0
   37    41   -42    46   1.45950 -1.0 2.0
   37    41    44    45   0.00000  1.0 1.0
   37    41    44    48   0.09850  1.0 1.0
   37    41    44    48   0.15250 -1.0 2.0
   37    41    44    48  -0.50650  1.0 3.0
   37    41    44    52   0.09850  1.0 1.0
   37    41    44    52   0.15250 -1.0 2.0
   37    41    44    52  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    42    46    47   1.50000 -1.0 2.0
   41    42    46    56  -1.18350  1.0 1.0
   41    42    46    56   1.45950 -1.0 2.0
   41    44    48    49   0.15000  1.0 3.0
   41    44    48    50   0.15000  1.0 3.0
   41    44    48    51   0.15000  1.0 3.0
   41    44    52    53   0.15000  1.0 3.0
   41    44    52    54   0.15000  1.0 3.0
   41    44    52    55   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    48   0.09700  1.0 1.0
   42    41    44    48   0.15600 -1.0 2.0
   42    41    44    48  -0.50800  1.0 3.0
   42    41    44    52   0.09700  1.0 1.0
   42    41    44    52   0.15600 -1.0 2.0
   42    41    44    52  -0.50800  1.0 3.0
   42    46   -56    33   7.00000 -1.0 2.0
   42    46    56    57   7.00000 -1.0 2.0
   43    42    46    47  -0.11900  1.0 1.0
   43    42    46    47   0.76850 -1.0 2.0
   43    42    46    47   0.14100  1.0 3.0
   43    42    46    56   1.00000 -1.0 2.0
   46    56    57    58   0.09850  1.0 1.0
   46    56    57    58   0.15250 -1.0 2.0
   46    56    57    58  -0.50650  1.0 3.0
   46    56    57    72   0.09850  1.0 1.0
   46    56    57    72   0.15250 -1.0 2.0
   46    56    57    72  -0.50650  1.0 3.0
   46    56    57    61   0.09850  1.0 1.0
   46    56    57    61   0.15250 -1.0 2.0
   46    56    57    61  -0.50650  1.0 3.0
   47    46    56    33   7.00000 -1.0 2.0
   47    46    56    57   7.00000 -1.0 2.0
   56    33    37    38   0.00000  1.0 1.0
   56    33   -37    41  -0.28300  1.0 1.0
   56    33   -37    41   0.26700 -1.0 2.0
   56    33   -37    41  -0.63300  1.0 3.0
   56    33    39    82  -0.28300  1.0 1.0
   56    33    39    82   0.26700 -1.0 2.0
   56    33    39    82  -0.63300  1.0 3.0
   56    33    39    40   0.00000  1.0 1.0
   56    57    58    59   0.15000  1.0 3.0
   56    57    58    60   0.15000  1.0 3.0
   56    57    58    65   0.34400  1.0 1.0
   56    57    58    65   0.09450 -1.0 2.0
   56    57    58    65   0.11100  1.0 3.0
   56    57    72    71   0.34400  1.0 1.0
   56    57    72    71   0.09450 -1.0 2.0
   56    57    72    71   0.11100  1.0 3.0
   56    57    72    73   0.15000  1.0 3.0
   56    57   -72    82   0.31000  1.0 1.0
   56    57   -72    82   0.14700 -1.0 2.0
   56    57   -72    82   0.07550  1.0 3.0
   56    57    61    62   0.15000  1.0 3.0
   56    57    61    63   0.15000  1.0 3.0
   56    57    61    64   0.15000  1.0 3.0
   57    58    65    66   0.15000  1.0 3.0
   57    58    65    67   0.15000  1.0 3.0
   57    58    65    68   0.56750  1.0 1.0
   57    58    65    68  -0.07550 -1.0 2.0
   57    58    65    68   0.20000  1.0 3.0
   57    72    82    83   0.09700  1.0 1.0
   57    72    82    83   0.15600 -1.0 2.0
   57    72    82    83  -0.50800  1.0 3.0
   57    72    82    39   0.09850  1.0 1.0
   57    72    82    39   0.15250 -1.0 2.0
   57    72    82    39  -0.50650  1.0 3.0
   58    57    72    71   0.56750  1.0 1.0
   58    57    72    71  -0.07550 -1.0 2.0
   58    57    72    71   0.20000  1.0 3.0
   58    57    72    73   0.15000  1.0 3.0
   58    57    72    82   0.34400  1.0 1.0
   58    57    72    82   0.09450 -1.0 2.0
   58    57    72    82   0.11100  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   58    65    68    69   0.15000  1.0 3.0
   58    65    68    70   0.15000  1.0 3.0
   58    65   -68    71   0.56750  1.0 1.0
   58    65   -68    71  -0.07550 -1.0 2.0
   58    65   -68    71   0.20000  1.0 3.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    68   0.15000  1.0 3.0
   60    58    65    66   0.15000  1.0 3.0
   60    58    65    67   0.15000  1.0 3.0
   60    58    65    68   0.15000  1.0 3.0
   65    68    71    72   0.56750  1.0 1.0
   65    68    71    72  -0.07550 -1.0 2.0
   65    68    71    72   0.20000  1.0 3.0
   65    68    71    74   0.56750  1.0 1.0
   65    68    71    74  -0.07550 -1.0 2.0
   65    68    71    74   0.20000  1.0 3.0
   65    68    71    78   0.56750  1.0 1.0
   65    68    71    78  -0.07550 -1.0 2.0
   65    68    71    78   0.20000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    65    68    69   0.15000  1.0 3.0
   67    65    68    70   0.15000  1.0 3.0
   67    65    68    71   0.15000  1.0 3.0
   68    71   -72    57   0.56750  1.0 1.0
   68    71   -72    57  -0.07550 -1.0 2.0
   68    71   -72    57   0.20000  1.0 3.0
   68    71    72    73   0.15000  1.0 3.0
   68    71    72    82   0.34400  1.0 1.0
   68    71    72    82   0.09450 -1.0 2.0
   68    71    72    82   0.11100  1.0 3.0
   68    71    74    75   0.15000  1.0 3.0
   68    71    74    76   0.15000  1.0 3.0
   68    71    74    77   0.15000  1.0 3.0
   68    71    78    79   0.15000  1.0 3.0
   68    71    78    80   0.15000  1.0 3.0
   68    71    78    81   0.15000  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   69    68    71    78   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   70    68    71    78   0.15000  1.0 3.0
   71    72    82    83   0.09700  1.0 1.0
   71    72    82    83   0.15600 -1.0 2.0
   71    72    82    83  -0.50800  1.0 3.0
   71    72    82    39   0.09850  1.0 1.0
   71    72    82    39   0.15250 -1.0 2.0
   71    72    82    39  -0.50650  1.0 3.0
   72    57    58    59   0.15000  1.0 3.0
   72    57    58    60   0.15000  1.0 3.0
   72    57   -58    65   0.56750  1.0 1.0
   72    57   -58    65  -0.07550 -1.0 2.0
   72    57   -58    65   0.20000  1.0 3.0
   72    57    61    62   0.15000  1.0 3.0
   72    57    61    63   0.15000  1.0 3.0
   72    57    61    64   0.15000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   72    82   -39    33   7.00000 -1.0 2.0
   72    82    39    40   7.00000 -1.0 2.0
   73    72    82    83   0.00000  1.0 1.0
   73    72    82    39   0.00000  1.0 1.0
   83    82    39    33   7.00000 -1.0 2.0
   83    82    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.28300  1.0 1.0
   39    33    37    41   0.26700 -1.0 2.0
   39    33    37    41  -0.63300  1.0 3.0
   39    33    56    46  -0.28300  1.0 1.0
   39    33    56    46   0.26700 -1.0 2.0
   39    33    56    46  -0.63300  1.0 3.0
   39    33   -56    57   0.09700  1.0 1.0
   39    33   -56    57   0.15600 -1.0 2.0
   39    33   -56    57  -0.50800  1.0 3.0
   74    71    72    57   0.56750  1.0 1.0
   74    71    72    57  -0.07550 -1.0 2.0
   74    71    72    57   0.20000  1.0 3.0
   74    71    72    73   0.15000  1.0 3.0
   74    71    72    82   0.34400  1.0 1.0
   74    71    72    82   0.09450 -1.0 2.0
   74    71    72    82   0.11100  1.0 3.0
   74    71    78    79   0.15000  1.0 3.0
   74    71    78    80   0.15000  1.0 3.0
   74    71    78    81   0.15000  1.0 3.0
   78    71    72    57   0.56750  1.0 1.0
   78    71    72    57  -0.07550 -1.0 2.0
   78    71    72    57   0.20000  1.0 3.0
   78    71    72    73   0.15000  1.0 3.0
   78    71    72    82   0.34400  1.0 1.0
   78    71    72    82   0.09450 -1.0 2.0
   78    71    72    82   0.11100  1.0 3.0
   78    71    74    75   0.15000  1.0 3.0
   78    71    74    76   0.15000  1.0 3.0
   78    71    74    77   0.15000  1.0 3.0
   61    57    58    59   0.15000  1.0 3.0
   61    57    58    60   0.15000  1.0 3.0
   61    57    58    65   0.56750  1.0 1.0
   61    57    58    65  -0.07550 -1.0 2.0
   61    57    58    65   0.20000  1.0 3.0
   61    57    72    71   0.56750  1.0 1.0
   61    57    72    71  -0.07550 -1.0 2.0
   61    57    72    71   0.20000  1.0 3.0
   61    57    72    73   0.15000  1.0 3.0
   61    57    72    82   0.34400  1.0 1.0
   61    57    72    82   0.09450 -1.0 2.0
   61    57    72    82   0.11100  1.0 3.0
   44    41    42    43  -0.64400  1.0 1.0
   44    41    42    43   0.26850 -1.0 2.0
   44    41    42    46   1.50000 -1.0 2.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    54   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   48    44    52    53   0.15000  1.0 3.0
   48    44    52    54   0.15000  1.0 3.0
   48    44    52    55   0.15000  1.0 3.0
   52    44    48    49   0.15000  1.0 3.0
   52    44    48    50   0.15000  1.0 3.0
   52    44    48    51   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   42    44    41    37   1.10000 -1.0 2.0
   41    46    42    43  10.50000 -1.0 2.0
   42    47    46    56   1.10000 -1.0 2.0
   33    57    56    46   1.10000 -1.0 2.0
   72    83    82    39   1.10000 -1.0 2.0
   33    40    39    82   1.10000 -1.0 2.0
END
