* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    152    247     453
    1     0 S   NP   _N1_     1    28.73943    94.49249   -23.94613
    2     1 S   H    _HN1     2     1.02950    80.95119    19.09507
    3     1 S   H    _H1_     3     1.02828    27.94733   178.12487
    4     1 S   H    _H2_     4     1.02784   107.97600   -87.40701
    5     1 S   CT   _CA1     5     1.50122   131.17347   128.32235
    6     5 S   HC   _HA1     6     1.09575   105.16945    81.69957
    7     5 S   CO3  _C1_     7     1.53788   112.52068   -38.45728
    8     7 S   O2Z  _O11     8     1.26370   114.99680   -40.77468
    9     7 S   O2Z  _O12     9     1.26245   114.94777   138.31163
   10     5 S   CT   _CB1    10     1.53079   107.41433  -160.33871
   11    10 S   HC   HB11    11     1.09831   109.31930   -49.78285
   12    10 S   HC   HB12    12     1.09811   110.46032    66.82549
   13    10 S   CT   _CG1    13     1.52971   112.61668  -170.78501
   14    13 S   HC   HG11    14     1.09588   110.59264   -66.63389
   15    13 S   HC   HG12    15     1.09674   109.79790    52.57401
   16    13 S   C    _CD1    16     1.51810   112.29736   172.99921
   17    16 S   O    _OE1    17     1.22716   123.31654     6.50433
   18    16 S   N    _N2_    18     1.38590   111.55589  -173.48019
   19    18 S   H    _HN2    19     1.01566   118.90758     1.86991
   20    18 S   CT1  _CA2    20     1.46200   123.60992   178.01702
   21    20 S   HC   _HA2    21     1.09733   109.43533     1.36831
   22    20 S   C    _C2_    22     1.53594   108.48926  -114.06350
   23    22 S   O    _O2_    23     1.23053   122.39764  -148.39430
   24    20 S   CT   _CB2    32     1.53378   111.34005   123.58380
   25    24 S   HC   HB21    33     1.09397   109.52723    54.48341
   26    24 S   HC   HB22    34     1.09437   109.75846   173.36741
   27    22 S   N    _N3_    24     1.38366   113.63938    39.15055
   28    27 S   H    _HN3    25     1.01586   119.51392    -3.49060
   29    24 S   S    _SG2    35     1.82939   111.13684   -67.44543
   30    27 S   CT   _CA3    26     1.45280   123.23617   177.11147
   31    30 S   HC   HA31    27     1.09549   107.50889   -64.45645
   32    30 S   HC   HA32    28     1.09556   107.99068    51.98661
   33    29 S   CT   _C23    36     1.86646   102.37577   166.26884
   34    33 S   OM   _O39    37     1.32173   107.05056   169.12858
   35    30 S   CO3  _C3_    29     1.52963   114.05693   173.95136
   36    35 S   O2Z  _O31    30     1.26379   116.05523    -1.66965
   37    35 S   O2Z  _O32    31     1.26425   114.42499   178.40247
   38    33 S   CT   _C6_    38     1.56077   110.62698   -72.27803
   39    38 S   HC   _H3_    39     1.09870   108.37002    63.83877
   40    33 S   CT   _C22    68     1.57157   111.82791    48.18776
   41    40 S   HC   _H5_    69     1.09627   105.09110   -63.11755
   42    38 S   CO4  _C7_    40     1.53323   110.58091   177.45332
   43    42 S   O    _O34    41     1.23358   121.75288   125.28962
   44    40 S   OS   _O40    70     1.43844   116.30116    48.98937
   45    38 S   CO4  _C5_    77     1.54029   115.82999   -53.72435
   46    45 S   O    _O33    78     1.23109   123.31136   -60.17764
   47    42 S   CT   _C8_    42     1.55277   116.48933   -57.42954
   48    44 S   CT   _C24    71     1.41684   118.07556    67.51144
   49    48 S   HC   _H16    72     1.09416   107.63057   165.06829
   50    48 S   HC   _H17    73     1.09213   112.48978    46.53528
   51    48 S   HC   _H18    74     1.09234   110.86866   -78.16626
   52    45 S   CT   _C4_    79     1.50870   116.34707   122.64812
   53    52 S   HC   _H6_    80     1.09267   109.44700    64.71422
   54    52 S   HC   _H7_    81     1.09171   109.88694   -56.39156
   55    52 S   HC   _H8_    82     1.09357   109.71695  -175.61537
   56    47 S   CMA  _C21    43     1.56106   113.53203   -75.47802
   57    56 S   OM   _O35    44     1.26694   110.77169   -38.64304
   58    47 S   OH   _O41    75     1.44003   105.78463   167.36868
   59    58 S   HO   _H19    76     0.97403   106.19219    68.52449
   60    56 S   CM   _C20    45     1.36476   118.87638   141.47015
   61    60 S   CM   _C11    46     1.46213   123.06386     3.04896
   62    60 S   CO4  _C19    57     1.51629   119.82806  -177.69319
   63    62 S   O    _O36    58     1.22599   123.82028   -16.54754
   64    61 S   CM   _C12    47     1.34155   121.87149  -168.43733
   65    64 S   HC   _H11    48     1.08601   120.65691   179.17599
   66    61 S   CT   _C10    63     1.50372   117.47555    10.71697
   67    66 S   HC   _H9_    64     1.09816   108.66775    77.96755
   68    66 S   HC   _H10    65     1.09628   111.42785  -165.89335
   69    64 S   CA   _C13    49     1.46145   121.60250    -0.59017
   70    47 S   CT   _C9_    66     1.55172   108.34028    53.17455
   71    70 S   HC   _H4_    67     1.09838   108.52479    70.94612
   72    69 S   CA   _C14    50     1.40288   119.27801   174.51627
   73    72 S   HA   _H12    51     1.08753   120.23131    -0.85775
   74    72 S   CA   _C15    52     1.39336   119.96111   179.17671
   75    74 S   CA   _C16    53     1.38948   120.76603    -0.20367
   76    75 S   HA   _H13    54     1.08667   120.23954  -179.98022
   77    74 S   OH   _O38    61     1.36633   121.06772   179.87646
   78    77 S   HO   _H15    62     0.97236   108.68565    -0.46055
   79    75 S   CA   _C17    55     1.39486   119.46992     0.01978
   80    69 S   CA   _C18    56     1.40347   120.93295    -6.51232
   81    79 S   OH   _O37    59     1.36943   115.89632   179.83687
   82    81 S   HO   _H14    60     0.97434   108.67950   178.32626
  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   8   2   1   1  16   7  17   6  13   5   8   6   4  12   4
   2   1   1   3   2   1   1  12   5   5   1  12  12   9   3  11
   4   5   3   2   8   1   1   8   4   7   7   4   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    42    70    40    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    66    70    71    40    41    44    48    45    46    52  
   38    39    42    70    40    41    44    45  
   36    37  
   37  
    0  
   39    42    43    47    56    70    40    41    44    58    45    46    52    53    54    55  
   42    43    47    40    45    46    52  
   41    44    48    49    50    51    58    45    42    47    56    61    66    67    68    70    71  
   44    48    47    66    70    71  
   43    47    56    57    60    66    70    71    58    59    45    46    52  
   47    56    70    58    45  
   48    49    50    51    47    66    70    71  
   46    52    53    54    55    47  
   52    53    54    55  
   56    57    60    61    62    66    67    68    70    71    58    59  
   49    50    51    70  
   50    51  
   51  
    0  
   53    54    55  
   54    55  
   55  
    0  
   57    60    61    64    80    62    63    66    70    71    58    59  
   60    61    62    70    58  
   59    60    66    70    71  
   70  
   61    64    65    69    79    80    62    63    66    67    68    70  
   64    65    69    72    80    62    63    66    67    68    70    71  
   63    81    66    64    69    72    75    79    80  
   69    79    80  
   65    69    72    73    74    79    80    66    67    68    70  
   69    72    80    66  
   67    68    70    71    69  
   68    70    71  
   70    71  
   72    73    74    75    79    80    81    77  
   71  
    0  
   73    74    75    76    79    80    77    78  
   74    75    80    77  
   75    76    79    80    81    77    78  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    45   317.000  1.522
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    56   270.000  1.512
   47    70   268.000  1.529
   47    58   320.000  1.410
   56    57   745.000  1.250
   56    60   465.000  1.376
   60    61   380.000  1.444
   60    62   320.000  1.462
   61    64   549.000  1.340
   61    66   317.000  1.510
   64    65   340.000  1.080
   64    69   320.000  1.460
   69    72   469.000  1.400
   69    80   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   469.000  1.400
   79    81   450.000  1.364
   80    62   310.000  1.470
   62    63   570.000  1.229
   81    82   553.000  0.945
   77    78   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    40   268.000  1.529
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   58    59   553.000  0.945
   45    46   570.000  1.229
   45    52   317.000  1.522
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    45    63.00000  111.10000
   33    40    70    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    50.00000  109.50000
   38    42    43    80.00000  120.40000
   38    42    47    70.00000  116.00000
   38    45    46    80.00000  120.40000
   38    45    52    70.00000  116.00000
   42    38    39    35.00000  109.50000
   42    47    56    70.00000  109.06800
   42    47    70    63.00000  111.10000
   42    47    58    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    56    57    85.00000  112.85300
   47    56    60    65.00000  122.18000
   47    70    66    58.35000  112.70000
   47    70    71    37.50000  110.70000
   47    70    40    58.35000  112.70000
   47    58    59    55.00000  108.50000
   56    60    61    70.00000  117.34000
   56    60    62    60.00000  125.92000
   60    56    57    65.00000  137.10300
   60    61    64    70.00000  123.01800
   60    61    66    70.00000  124.00000
   60    62    80    65.00000  117.02400
   60    62    63    80.00000  123.72100
   61    64    65    35.00000  120.00000
   61    64    69    60.00000  123.20500
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    70    70.00000  112.02700
   64    69    72    60.00000  120.93500
   64    69    80    60.00000  120.93500
   69    64    65    40.00000  117.26300
   69    72    73    35.00000  120.00000
   69    72    74    63.00000  120.00000
   69    80    79    63.00000  120.00000
   69    80    62    60.00000  119.52600
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    63.00000  120.00000
   75    79    81    70.00000  120.00000
   79    75    76    35.00000  120.00000
   79    80    62    60.00000  119.52600
   79    81    82    35.00000  113.00000
   80    69    72    63.00000  120.00000
   80    62    63    75.00000  123.78400
   62    60    61    65.00000  118.96000
   81    79    80    70.00000  120.00000
   77    74    75    70.00000  120.00000
   66    61    64    70.00000  124.00000
   66    70    71    37.50000  110.70000
   66    70    40    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    47    56    70.00000  112.02700
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    40    41    37.50000  110.70000
   70    40    44    50.00000  109.50000
   40    33    34    50.00000  109.50000
   40    33    38    58.35000  112.70000
   40    70    71    37.50000  110.70000
   40    44    48    60.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   58    47    56    90.00000  110.39200
   58    47    70    50.00000  109.50000
   45    38    39    35.00000  109.50000
   45    38    42    75.00000  107.99600
   45    52    53    35.00000  109.50000
   45    52    54    35.00000  109.50000
   45    52    55    35.00000  109.50000
   52    45    46    80.00000  120.40000
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    47   0.60050  1.0 1.0
   33    38    42    47   0.05600 -1.0 2.0
   33    38    42    47   0.26150  1.0 3.0
   33    38    45    46   0.30150 -1.0 2.0
   33    38    45    52   0.60050  1.0 1.0
   33    38    45    52   0.05600 -1.0 2.0
   33    38    45    52   0.26150  1.0 3.0
   33    40    44    48   0.06250  1.0 1.0
   33    40    44    48  -0.01100 -1.0 2.0
   33    40    44    48   0.28050  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    38    45  -0.09450  1.0 1.0
   34    33    38    45  -1.12950 -1.0 2.0
   34    33    38    45   0.54000  1.0 3.0
   34    33    40    70   0.62750  1.0 1.0
   34    33    40    70  -0.30950 -1.0 2.0
   34    33    40    70   0.27300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   1.11900  1.0 1.0
   34    33    40    44  -1.16350 -1.0 2.0
   34    33    40    44  -0.34150  1.0 3.0
   38    33    40    70   0.56750  1.0 1.0
   38    33    40    70  -0.07550 -1.0 2.0
   38    33    40    70   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.62750  1.0 1.0
   38    33    40    44  -0.30950 -1.0 2.0
   38    33    40    44   0.27300  1.0 3.0
   38    42    47    56   0.65300  1.0 1.0
   38    42    47    56  -0.03850 -1.0 2.0
   38    42    47    56   0.33900  1.0 3.0
   38    42   -47    70   0.60050  1.0 1.0
   38    42   -47    70   0.05600 -1.0 2.0
   38    42   -47    70   0.26150  1.0 3.0
   38    42    47    58   0.55300  1.0 1.0
   38    42    47    58   1.25850 -1.0 2.0
   38    42    47    58  -0.23600  1.0 3.0
   38    45    52    53   0.00000  1.0 1.0
   38    45    52    54   0.00000  1.0 1.0
   38    45    52    55   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    47   0.00000  1.0 1.0
   39    38    45    46   0.00000  1.0 1.0
   39    38    45    52   0.00000  1.0 1.0
   42    38    45    46   0.30150 -1.0 2.0
   42    38    45    52   0.65300  1.0 1.0
   42    38    45    52  -0.03850 -1.0 2.0
   42    38    45    52   0.33900  1.0 3.0
   42    47    56    57   0.09700  1.0 1.0
   42    47    56    57   0.15600 -1.0 2.0
   42    47    56    57  -0.50800  1.0 3.0
   42    47    56    60  -0.51250  1.0 1.0
   42    47    56    60  -0.88800 -1.0 2.0
   42    47    56    60   0.08850  1.0 3.0
   42    47    70    66  -0.95700  1.0 1.0
   42    47    70    66  -0.18200 -1.0 2.0
   42    47    70    66   0.29450  1.0 3.0
   42    47    70    71  -0.11250  1.0 3.0
   42    47    70    40  -0.95700  1.0 1.0
   42    47    70    40  -0.18200 -1.0 2.0
   42    47    70    40   0.29450  1.0 3.0
   42    47    58    59   0.91850  1.0 1.0
   42    47    58    59   0.57950  1.0 3.0
   43    42    47    56   0.30150 -1.0 2.0
   43    42    47    70   0.30150 -1.0 2.0
   43    42    47    58   0.30150 -1.0 2.0
   47    56    60    61   7.00000 -1.0 2.0
   47    56    60    62   7.00000 -1.0 2.0
   47    70   -40    33   0.56750  1.0 1.0
   47    70   -40    33  -0.07550 -1.0 2.0
   47    70   -40    33   0.20000  1.0 3.0
   47    70    40    41   0.15000  1.0 3.0
   47    70    40    44   0.62750  1.0 1.0
   47    70    40    44  -0.30950 -1.0 2.0
   47    70    40    44   0.27300  1.0 3.0
   56    47    70    66   0.34400  1.0 1.0
   56    47    70    66   0.09450 -1.0 2.0
   56    47    70    66   0.11100  1.0 3.0
   56    47    70    71   0.15000  1.0 3.0
   56    47    70    40   0.34400  1.0 1.0
   56    47    70    40   0.09450 -1.0 2.0
   56    47    70    40   0.11100  1.0 3.0
   56    47    58    59  -0.07800  1.0 1.0
   56    47    58    59  -0.21500 -1.0 2.0
   56    47    58    59  -0.03150  1.0 3.0
   56    60    61    64   0.28850  1.0 1.0
   56    60    61    64   2.61350 -1.0 2.0
   56    60    61    64   0.78400  1.0 3.0
   56    60   -61    66  -0.18600  1.0 3.0
   56    60    62    80  -1.65800  1.0 1.0
   56    60    62    80   0.77650 -1.0 2.0
   56    60    62    63   1.00000 -1.0 2.0
   57    56    60    61   7.00000 -1.0 2.0
   57    56    60    62   7.00000 -1.0 2.0
   60    61    64    65   7.00000 -1.0 2.0
   60    61    64    69   7.00000 -1.0 2.0
   60    61    66    67   0.00000  1.0 1.0
   60    61    66    68   0.00000  1.0 1.0
   60    61    66    70   0.98200  1.0 1.0
   60    61    66    70  -0.11900 -1.0 2.0
   60    61    66    70   0.24250  1.0 3.0
   61    60    62    80  -1.65800  1.0 1.0
   61    60    62    80   0.77650 -1.0 2.0
   61    60    62    63   1.00000 -1.0 2.0
   61    64    69    72   0.15800  1.0 1.0
   61    64    69    72   1.85350 -1.0 2.0
   61    64    69    72  -0.48700  1.0 3.0
   61    64   -69    80   0.15800  1.0 1.0
   61    64   -69    80   1.85350 -1.0 2.0
   61    64   -69    80  -0.48700  1.0 3.0
   61    66   -70    47   0.34400  1.0 1.0
   61    66   -70    47   0.09450 -1.0 2.0
   61    66   -70    47   0.11100  1.0 3.0
   61    66    70    71   0.15000  1.0 3.0
   61    66    70    40   0.34400  1.0 1.0
   61    66    70    40   0.09450 -1.0 2.0
   61    66    70    40   0.11100  1.0 3.0
   64    61    66    67   0.00000  1.0 1.0
   64    61    66    68   0.00000  1.0 1.0
   64    61    66    70   0.09850  1.0 1.0
   64    61    66    70   0.15250 -1.0 2.0
   64    61    66    70  -0.50650  1.0 3.0
   64    69    72    73   3.62500 -1.0 2.0
   64    69    72    74   3.62500 -1.0 2.0
   64    69    80    79   3.62500 -1.0 2.0
   64    69    80    62   3.62500 -1.0 2.0
   65    64    69    72   0.56550  1.0 3.0
   65    64    69    80   0.56550  1.0 3.0
   69    72    74    75   3.62500 -1.0 2.0
   69    72    74    77   3.62500 -1.0 2.0
   69    80   -62    60  -0.11500  1.0 1.0
   69    80   -62    60   1.10450 -1.0 2.0
   69    80   -62    60  -0.48050  1.0 3.0
   69    80    62    63   1.05000 -1.0 2.0
   72    69    80    79   3.62500 -1.0 2.0
   72    69    80    62   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74   -75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75    79    81   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   75    79   -80    69   3.62500 -1.0 2.0
   75    79    80    62   3.62500 -1.0 2.0
   75    79    81    82   0.84100 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   79    80    62    60  -0.11500  1.0 1.0
   79    80    62    60   1.10450 -1.0 2.0
   79    80    62    60  -0.48050  1.0 3.0
   79    80    62    63   1.05000 -1.0 2.0
   80    69    72    73   3.62500 -1.0 2.0
   80    69   -72    74   3.62500 -1.0 2.0
   80    79    81    82   0.84100 -1.0 2.0
   62    60   -61    64  -0.18600  1.0 3.0
   62    60    61    66   1.08500 -1.0 2.0
   81    79    80    69   3.62500 -1.0 2.0
   81    79    80    62   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   66    61    64    65   7.00000 -1.0 2.0
   66    61    64    69   7.00000 -1.0 2.0
   66    70    40    33   0.56750  1.0 1.0
   66    70    40    33  -0.07550 -1.0 2.0
   66    70    40    33   0.20000  1.0 3.0
   66    70    40    41   0.15000  1.0 3.0
   66    70    40    44   0.62750  1.0 1.0
   66    70    40    44  -0.30950 -1.0 2.0
   66    70    40    44   0.27300  1.0 3.0
   67    66    70    47   0.15000  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    40   0.15000  1.0 3.0
   68    66    70    47   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    40   0.15000  1.0 3.0
   70    47    56    57   0.09700  1.0 1.0
   70    47    56    57   0.15600 -1.0 2.0
   70    47    56    57  -0.50800  1.0 3.0
   70    47   -56    60   0.09850  1.0 1.0
   70    47   -56    60   0.15250 -1.0 2.0
   70    47   -56    60  -0.50650  1.0 3.0
   70    47    58    59  -0.11600  1.0 1.0
   70    47    58    59  -0.09450 -1.0 2.0
   70    47    58    59   0.21250  1.0 3.0
   70    40    44    48   0.06250  1.0 1.0
   70    40    44    48  -0.01100 -1.0 2.0
   70    40    44    48   0.28050  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    41   0.15000  1.0 3.0
   71    70    40    44   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42  -0.95700  1.0 1.0
   40    33   -38    42  -0.18200 -1.0 2.0
   40    33   -38    42   0.29450  1.0 3.0
   40    33    38    45  -0.95700  1.0 1.0
   40    33    38    45  -0.18200 -1.0 2.0
   40    33    38    45   0.29450  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    50   0.37050  1.0 3.0
   40    44    48    51   0.37050  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   58    47    56    57   0.09700  1.0 1.0
   58    47    56    57   0.15600 -1.0 2.0
   58    47    56    57  -0.50800  1.0 3.0
   58    47    56    60   0.67800  1.0 1.0
   58    47    56    60   0.47050 -1.0 2.0
   58    47    56    60  -0.62500  1.0 3.0
   58    47    70    66   0.86500  1.0 1.0
   58    47    70    66  -0.17500 -1.0 2.0
   58    47    70    66   0.20800  1.0 3.0
   58    47    70    71   0.23400  1.0 3.0
   58    47    70    40   0.86500  1.0 1.0
   58    47    70    40  -0.17500 -1.0 2.0
   58    47    70    40   0.20800  1.0 3.0
   45    38    42    43   0.30150 -1.0 2.0
   45    38    42    47   0.65300  1.0 1.0
   45    38    42    47  -0.03850 -1.0 2.0
   45    38    42    47   0.33900  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   0.00000  1.0 1.0
   46    45    52    55   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    47    42    43  10.50000 -1.0 2.0
   47    57    56    60   1.10000 -1.0 2.0
   61    62    60    56   1.10000 -1.0 2.0
   60    66    61    64   1.10000 -1.0 2.0
   69    65    64    61   1.10000 -1.0 2.0
   72    80    69    64   4.00000 -1.0 2.0
   74    73    72    69   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   80    81    79    75   4.00000 -1.0 2.0
   79    62    80    69   4.00000 -1.0 2.0
   60    80    62    63  10.50000 -1.0 2.0
   38    52    45    46  10.50000 -1.0 2.0
END
