* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    250     471
    1     0 S   NP   _N1_     1    28.81909    93.02002   -23.51761
    2     1 S   H    _HN1     2     1.02789   104.90459   -86.00802
    3     1 S   H    _H1_     3     1.02942    92.46690    23.61847
    4     1 S   H    _H2_     4     1.02835    17.40936   171.88625
    5     1 S   CT   _CA1     5     1.50085   126.14300   141.41410
    6     5 S   HC   _HA1     6     1.09577   105.25013    68.87152
    7     5 S   CO3  _C1_     7     1.53780   112.21860   -51.36749
    8     7 S   O2Z  _O11     8     1.26420   115.11866   -50.20231
    9     7 S   O2Z  _O12     9     1.26210   114.95265   129.01539
   10     5 S   CT   _CB1    10     1.53081   107.41725  -173.30570
   11    10 S   HC   HB11    11     1.09827   109.44497   -50.63161
   12    10 S   HC   HB12    12     1.09820   110.44082    65.95434
   13    10 S   CT   _CG1    13     1.53002   112.55907  -171.65287
   14    13 S   HC   HG11    14     1.09604   110.47220   -61.97664
   15    13 S   HC   HG12    15     1.09649   109.98912    57.25827
   16    13 S   C    _CD1    16     1.51799   112.19812   177.67392
   17    16 S   O    _OE1    17     1.22739   123.25117    -1.45333
   18    16 S   N    _N2_    18     1.38653   111.68655   178.48988
   19    18 S   H    _HN2    19     1.01582   119.03850     2.28156
   20    18 S   CT1  _CA2    20     1.46241   123.29422  -179.29058
   21    20 S   HC   _HA2    21     1.09739   109.32289    -4.65181
   22    20 S   C    _C2_    22     1.53399   108.59705  -120.24532
   23    22 S   O    _O2_    23     1.23042   122.33480  -148.03177
   24    20 S   CT   _CB2    32     1.53561   111.62945   117.17833
   25    24 S   HC   HB21    33     1.09445   109.50313    58.29038
   26    24 S   HC   HB22    34     1.09397   109.76437   177.17901
   27    22 S   N    _N3_    24     1.38346   113.55239    39.41447
   28    27 S   H    _HN3    25     1.01629   119.50977    -3.60136
   29    24 S   S    _SG2    35     1.82806   111.08387   -62.44533
   30    27 S   CT   _CA3    26     1.45283   123.13041   176.96920
   31    30 S   HC   HA31    27     1.09552   107.52059   -63.92027
   32    30 S   HC   HA32    28     1.09558   107.95257    52.48522
   33    29 S   CT   _C5_    36     1.85386   101.84299  -176.15478
   34    30 S   CO3  _C3_    29     1.52933   114.14371   174.46848
   35    34 S   O2Z  _O31    30     1.26365   116.07132    -0.94667
   36    34 S   O2Z  _O32    31     1.26431   114.40683   179.11884
   37    33 S   CT   _C6_    37     1.55941   108.00404   171.48309
   38    37 S   HC   _H3_    38     1.10251   107.54060   -39.76698
   39    33 S   CT   _C12    49     1.54875   113.36054    60.09923
   40    39 S   HC   _H6_    50     1.09460   113.19408   -80.28192
   41    33 S   CT   _C4_    80     1.53808   108.58955   -64.68627
   42    41 S   HC   _H12    81     1.09509   111.53497    69.62085
   43    41 S   HC   _H13    82     1.09585   112.00025   -51.26310
   44    41 S   HC   _H14    83     1.09357   112.38915  -171.67768
   45    37 S   CO   _C7_    39     1.54015   117.42860    79.77989
   46    45 S   HC   _H4_    40     1.09557   108.76979   -41.03262
   47    39 S   OH   _O34    51     1.42796   112.52429    41.72903
   48    47 S   HO   _H17    52     0.97297   108.80296    79.07135
   49    45 S   OS   _O33    41     1.43469   114.28441    78.54771
   50    45 S   OS1  _O37    57     1.43984   107.07411  -157.84613
   51    49 S   CM   _C8_    42     1.36665   114.67131    46.45486
   52    51 S   HC   _H15    43     1.08101   111.01339   159.92240
   53    50 S   CO1  _C13    58     1.43336   112.76671   162.40933
   54    53 S   HC   _H7_    59     1.09789   108.76835    50.95275
   55    51 S   CM   _C9_    44     1.33601   125.59994   -22.58456
   56    55 S   HC   _H16    45     1.08617   119.55906  -179.48642
   57    53 S   CT   _C14    60     1.53306   107.43264   170.24397
   58    57 S   HC   _H8_    61     1.09682   109.98011    52.45958
   59    37 S   CT   _C10    46     1.55688   105.81005  -153.40800
   60    57 S   CT   _C15    62     1.53138   111.19837   174.37590
   61    60 S   HC   _H9_    63     1.09668   110.22192    73.81478
   62    57 S   OH5  _O42    78     1.42946   109.94002   -64.22171
   63    62 S   HO   _H25    79     0.97231   108.18877   -60.64836
   64    59 S   CT   _C11    47     1.55097   105.26981    11.02007
   65    64 S   HC   _H5_    48     1.09732   110.37379   -99.93644
   66    59 S   OH   _O36    55     1.42746   108.30025   129.37086
   67    66 S   HO   _H19    56     0.97364   107.67588    63.42652
   68    60 S   CT   _C16    64     1.53258   111.42178   -48.86403
   69    68 S   HC   _H10    65     1.09702   109.06518   -71.50003
   70    60 S   OH5  _O41    76     1.42949   109.59245  -170.35519
   71    70 S   HO   _H24    77     0.97242   108.12314    61.29859
   72    64 S   OH   _O35    53     1.41782   113.12352   140.18616
   73    72 S   HO   _H18    54     0.97232   107.60888  -167.95253
   74    68 S   CT   _C17    66     1.53219   110.60854    49.71292
   75    74 S   HC   _H11    67     1.09839   110.92024    63.96552
   76    68 S   OH5  _O40    74     1.42585   109.65513   171.65722
   77    76 S   HO   _H23    75     0.97253   108.20316   -59.10275
   78    53 S   OS1  _O38    68     1.42842   110.52268   -70.09586
   79    74 S   CT   _C18    69     1.52968   111.74734  -175.16576
   80    79 S   HC   _H20    70     1.09497   111.07761    69.38032
   81    79 S   HC   _H21    71     1.09395   111.55643   -53.11907
   82    79 S   OH5  _O39    72     1.42495   108.90036  -172.02046
   83    82 S   HO   _H22    73     0.97628   106.86570  -179.53606
  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  13   5   4   3
  20   2   1   1  22  10  15   7   7   2   1   1  13   5   5   1
   7  10   6   3  13   6   7   3  12   7   6  13   7   4   1   5
   3   2   1  12   7   3   1   1   1   9   6   3   1   4   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    59    64    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    55    59    64    65    39    40    47    48    72    66    50    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    51    55    56    59    64    65    39    40    47    72    66    67    50    53    41    42    43    44  
   45    46    49    55    59    64    39    66    50    41  
   40    47    48    72    73    66    41    42    43    44    45    55    59    64    65  
   47    48    72    41    59    64    65  
   42    43    44    45    47    59    64  
   43    44  
   44  
    0  
   46    49    51    52    55    59    64    66    50    53    54    57    78  
   49    51    59    50    53  
   48    72    59    64    65  
   64  
   51    52    55    56    59    50    53  
   53    54    57    58    60    74    78    62    51    59  
   52    55    56    59    64    66  
   55    56    59  
   54    57    58    60    61    68    74    75    78    79    70    62    63  
   57    58    60    74    78    62  
   56    59    64    65    72    66    67  
   59    64    66  
   58    60    61    68    69    74    78    76    70    71    62    63  
   60    61    68    78    70    62    63  
   64    65    72    73    66    67  
   61    68    69    74    75    78    79    76    77    70    71    62    63  
   68    69    74    76    70    71    62  
   63    68    70    78  
    0  
   65    72    73    66    67  
   72    73    66  
   67    72  
    0  
   69    74    75    78    79    80    81    82    76    77    70    71  
   74    75    78    79    76    77    70  
   71    74    76  
    0  
   73  
    0  
   75    78    79    80    81    82    83    76    77  
   78    79    80    81    82    76  
   77    78    79  
    0  
   79    80    81    82  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.090
   37    45   250.000  1.527
   37    59   268.000  1.529
   45    46   340.000  1.090
   45    49   320.000  1.380
   45    50   320.000  1.380
   49    51   440.000  1.360
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    64   268.000  1.529
   59    66   320.000  1.410
   64    65   340.000  1.090
   64    39   268.000  1.529
   64    72   320.000  1.410
   39    40   340.000  1.090
   39    47   320.000  1.410
   47    48   553.000  0.945
   72    73   553.000  0.945
   66    67   553.000  0.945
   50    53   370.000  1.399
   53    54   360.000  1.097
   53    57   255.000  1.525
   53    78   370.000  1.399
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    62   355.000  1.421
   60    61   340.000  1.090
   60    68   268.000  1.529
   60    70   355.000  1.421
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   355.000  1.421
   74    75   340.000  1.090
   74    78   335.000  1.422
   74    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   355.000  1.421
   82    83   580.000  0.967
   76    77   580.000  0.967
   70    71   580.000  0.967
   62    63   580.000  0.967
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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  111.63000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    45    75.00000  109.43000
   33    37    59    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    47    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    45.00000  112.01100
   37    45    49    90.00000  108.56700
   37    45    50    90.00000  108.56700
   37    59    55    70.00000  112.02700
   37    59    64    58.35000  112.70000
   37    59    66    50.00000  109.50000
   45    37    38    45.00000  108.72000
   45    49    51    85.00000  113.97000
   45    50    53    90.00000  112.10700
   49    45    46    35.00000  109.50000
   49    51    52    55.00000  109.52600
   49    51    55    80.00000  120.01400
   51    55    56    35.00000  120.00000
   51    55    59    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    59    64    70.00000  112.02700
   55    59    66    90.00000  110.39200
   59    37    38    37.50000  110.70000
   59    37    45    75.00000  109.43000
   59    55    56    35.00000  117.00000
   59    64    65    37.50000  110.70000
   59    64    39    58.35000  112.70000
   59    64    72    50.00000  109.50000
   59    66    67    55.00000  108.50000
   64    39    40    37.50000  110.70000
   64    39    47    50.00000  109.50000
   64    72    73    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    47    48    55.00000  108.50000
   47    39    40    35.00000  109.50000
   72    64    65    35.00000  109.50000
   72    64    39    50.00000  109.50000
   66    59    64    50.00000  109.50000
   50    45    46    35.00000  109.50000
   50    45    49    92.60000  111.55000
   50    53    54    60.00000  105.75400
   50    53    57    90.00000  109.70700
   50    53    78   110.00000  113.16000
   53    57    58    45.00000  109.54000
   53    57    60    70.00000  111.10000
   53    57    62    90.00000  109.42000
   53    78    74    90.00000  112.10700
   57    53    54    45.00000  111.65000
   57    60    61    37.50000  110.70000
   57    60    68    58.35000  112.70000
   57    60    70    90.00000  111.45300
   57    62    63    65.00000  108.53500
   60    57    58    37.50000  110.70000
   60    68    69    37.50000  110.70000
   60    68    74    58.35000  112.70000
   60    68    76    90.00000  111.45300
   60    70    71    65.00000  108.53500
   68    60    61    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    95.00000  107.88500
   68    74    79    58.35000  112.70000
   68    76    77    65.00000  108.53500
   74    68    69    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    90.00000  111.45300
   78    53    54    60.00000  105.75400
   78    53    57    90.00000  109.70700
   78    74    75    55.00000  108.98800
   79    74    75    37.50000  110.70000
   79    74    78    95.00000  107.88500
   79    82    83    65.00000  108.53500
   81    79    80    33.00000  107.80000
   82    79    80    60.00000  109.39000
   82    79    81    60.00000  109.39000
   76    68    69    60.00000  109.39000
   76    68    74    90.00000  111.45300
   70    60    61    60.00000  109.39000
   70    60    68    90.00000  111.45300
   62    57    58    60.00000  109.39000
   62    57    60    90.00000  111.45300
   41    33    37    58.35000  112.70000
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    37    59   0.44750  1.0 1.0
   29    33    37    59  -0.17800 -1.0 2.0
   29    33    37    59   0.20200  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.62750  1.0 1.0
   33    37    45    49  -0.30950 -1.0 2.0
   33    37    45    49   0.27300  1.0 3.0
   33    37    45    50   0.62750  1.0 1.0
   33    37    45    50  -0.30950 -1.0 2.0
   33    37    45    50   0.27300  1.0 3.0
   33    37    59    55   0.34400  1.0 1.0
   33    37    59    55   0.09450 -1.0 2.0
   33    37    59    55   0.11100  1.0 3.0
   33    37   -59    64   0.56750  1.0 1.0
   33    37   -59    64  -0.07550 -1.0 2.0
   33    37   -59    64   0.20000  1.0 3.0
   33    37    59    66   0.86500  1.0 1.0
   33    37    59    66  -0.17500 -1.0 2.0
   33    37    59    66   0.20800  1.0 3.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   37    33   -39    64   0.56750  1.0 1.0
   37    33   -39    64  -0.07550 -1.0 2.0
   37    33   -39    64   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    47   0.86500  1.0 1.0
   37    33    39    47  -0.17500 -1.0 2.0
   37    33    39    47   0.20800  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    51  -0.46850  1.0 1.0
   37    45    49    51   0.09300 -1.0 2.0
   37    45    49    51  -0.12850  1.0 3.0
   37    45    50    53   0.06250  1.0 1.0
   37    45    50    53  -0.01100 -1.0 2.0
   37    45    50    53   0.28050  1.0 3.0
   37    59    64    65   0.15000  1.0 3.0
   37    59   -64    39   0.56750  1.0 1.0
   37    59   -64    39  -0.07550 -1.0 2.0
   37    59   -64    39   0.20000  1.0 3.0
   37    59    64    72   0.86500  1.0 1.0
   37    59    64    72  -0.17500 -1.0 2.0
   37    59    64    72   0.20800  1.0 3.0
   37    59    66    67  -0.11600  1.0 1.0
   37    59    66    67  -0.09450 -1.0 2.0
   37    59    66    67   0.21250  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.23400  1.0 3.0
   38    37    45    50   0.23400  1.0 3.0
   38    37    59    55   0.15000  1.0 3.0
   38    37    59    64   0.15000  1.0 3.0
   38    37    59    66   0.23400  1.0 3.0
   45    37    59    55   0.34400  1.0 1.0
   45    37    59    55   0.09450 -1.0 2.0
   45    37    59    55   0.11100  1.0 3.0
   45    37    59    64   3.97050  1.0 1.0
   45    37    59    66   0.86500  1.0 1.0
   45    37    59    66  -0.17500 -1.0 2.0
   45    37    59    66   0.20800  1.0 3.0
   45    49    51    52   0.50000 -1.0 2.0
   45    49   -51    55  -2.26850  1.0 1.0
   45    49   -51    55   3.39050 -1.0 2.0
   45    50    53    54   0.37050  1.0 3.0
   45    50    53    57   0.06250  1.0 1.0
   45    50    53    57  -0.01100 -1.0 2.0
   45    50    53    57   0.28050  1.0 3.0
   45    50    53    78  -0.12700  1.0 1.0
   45    50    53    78  -1.16200 -1.0 2.0
   45    50    53    78   0.58800  1.0 3.0
   46    45    49    51   0.08050  1.0 3.0
   46    45    50    53   0.37050  1.0 3.0
   49    45    50    53  -0.53350  1.0 1.0
   49    45    50    53  -0.78350 -1.0 2.0
   49    45    50    53   0.33750  1.0 3.0
   49    51    55    56   7.00000 -1.0 2.0
   49    51    55    59   7.00000 -1.0 2.0
   51    55   -59    37   0.09850  1.0 1.0
   51    55   -59    37   0.15250 -1.0 2.0
   51    55   -59    37  -0.50650  1.0 3.0
   51    55    59    64   0.09850  1.0 1.0
   51    55    59    64   0.15250 -1.0 2.0
   51    55    59    64  -0.50650  1.0 3.0
   51    55    59    66   0.67800  1.0 1.0
   51    55    59    66   0.47050 -1.0 2.0
   51    55    59    66  -0.62500  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    59   7.00000 -1.0 2.0
   55    59    64    65   0.15000  1.0 3.0
   55    59    64    39   0.34400  1.0 1.0
   55    59    64    39   0.09450 -1.0 2.0
   55    59    64    39   0.11100  1.0 3.0
   55    59    64    72   1.05650  1.0 1.0
   55    59    64    72   0.15600 -1.0 2.0
   55    59    64    72   0.53150  1.0 3.0
   55    59    66    67  -0.07800  1.0 1.0
   55    59    66    67  -0.21500 -1.0 2.0
   55    59    66    67  -0.03150  1.0 3.0
   56    55    59    37   0.00000  1.0 1.0
   56    55    59    64   0.00000  1.0 1.0
   56    55    59    66   0.00000  1.0 1.0
   59    37    45    46   0.15000  1.0 3.0
   59    37   -45    49   0.62750  1.0 1.0
   59    37   -45    49  -0.30950 -1.0 2.0
   59    37   -45    49   0.27300  1.0 3.0
   59    37    45    50   0.62750  1.0 1.0
   59    37    45    50  -0.30950 -1.0 2.0
   59    37    45    50   0.27300  1.0 3.0
   59    64   -39    33   0.56750  1.0 1.0
   59    64   -39    33  -0.07550 -1.0 2.0
   59    64   -39    33   0.20000  1.0 3.0
   59    64    39    40   0.15000  1.0 3.0
   59    64    39    47   0.86500  1.0 1.0
   59    64    39    47  -0.17500 -1.0 2.0
   59    64    39    47   0.20800  1.0 3.0
   59    64    72    73  -0.11600  1.0 1.0
   59    64    72    73  -0.09450 -1.0 2.0
   59    64    72    73   0.21250  1.0 3.0
   64    59    66    67  -0.11600  1.0 1.0
   64    59    66    67  -0.09450 -1.0 2.0
   64    59    66    67   0.21250  1.0 3.0
   64    39    47    48  -0.11600  1.0 1.0
   64    39    47    48  -0.09450 -1.0 2.0
   64    39    47    48   0.21250  1.0 3.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    40   0.15000  1.0 3.0
   65    64    39    47   0.23400  1.0 3.0
   65    64    72    73   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    45   3.97050  1.0 1.0
   39    33   -37    59   0.56750  1.0 1.0
   39    33   -37    59  -0.07550 -1.0 2.0
   39    33   -37    59   0.20000  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   39    64    72    73  -0.11600  1.0 1.0
   39    64    72    73  -0.09450 -1.0 2.0
   39    64    72    73   0.21250  1.0 3.0
   40    39    47    48   0.19450  1.0 3.0
   72    64    39    33   0.86500  1.0 1.0
   72    64    39    33  -0.17500 -1.0 2.0
   72    64    39    33   0.20800  1.0 3.0
   72    64    39    40   0.23400  1.0 3.0
   72    64    39    47   3.75450  1.0 1.0
   66    59    64    65   0.23400  1.0 3.0
   66    59    64    39   0.86500  1.0 1.0
   66    59    64    39  -0.17500 -1.0 2.0
   66    59    64    39   0.20800  1.0 3.0
   66    59    64    72   3.75450  1.0 1.0
   50    45    49    51  -0.48150  1.0 1.0
   50    45    49    51   0.09250 -1.0 2.0
   50    45    49    51  -0.12850  1.0 3.0
   50    53    57    58   0.23400  1.0 3.0
   50    53    57    60   0.62750  1.0 1.0
   50    53    57    60  -0.30950 -1.0 2.0
   50    53    57    60   0.27300  1.0 3.0
   50    53    57    62   1.51850  1.0 1.0
   50    53    78    74  -0.70400  1.0 1.0
   50    53    78    74  -0.90350 -1.0 2.0
   53    57    60    61   0.15000  1.0 3.0
   53    57    60    68   0.56750  1.0 1.0
   53    57    60    68  -0.07550 -1.0 2.0
   53    57    60    68   0.20000  1.0 3.0
   53    57    60    70  -0.47750  1.0 1.0
   53    57    62    63   0.29150  1.0 1.0
   53    57    62    63  -0.28350 -1.0 2.0
   53    57    62    63   0.43600  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    53    57    62   0.23400  1.0 3.0
   54    53    78    74   0.37050  1.0 3.0
   57    53    78    74   0.06250  1.0 1.0
   57    53    78    74  -0.01100 -1.0 2.0
   57    53    78    74   0.28050  1.0 3.0
   57    60    68    69   0.15000  1.0 3.0
   57    60   -68    74   0.56750  1.0 1.0
   57    60   -68    74  -0.07550 -1.0 2.0
   57    60   -68    74   0.20000  1.0 3.0
   57    60    68    76  -0.47750  1.0 1.0
   57    60    70    71   0.29150  1.0 1.0
   57    60    70    71  -0.28350 -1.0 2.0
   57    60    70    71   0.43600  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    68   0.15000  1.0 3.0
   58    57    60    70   0.23400  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   60    57    62    63   0.29150  1.0 1.0
   60    57    62    63  -0.28350 -1.0 2.0
   60    57    62    63   0.43600  1.0 3.0
   60    68    74    75   0.15000  1.0 3.0
   60    68    74    78   0.62750  1.0 1.0
   60    68    74    78  -0.30950 -1.0 2.0
   60    68    74    78   0.27300  1.0 3.0
   60    68    74    79   0.56750  1.0 1.0
   60    68    74    79  -0.07550 -1.0 2.0
   60    68    74    79   0.20000  1.0 3.0
   60    68    76    77   0.29150  1.0 1.0
   60    68    76    77  -0.28350 -1.0 2.0
   60    68    76    77   0.43600  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    74   0.15000  1.0 3.0
   61    60    68    76   0.23400  1.0 3.0
   61    60    70    71   0.19450  1.0 3.0
   68    60    70    71   0.29150  1.0 1.0
   68    60    70    71  -0.28350 -1.0 2.0
   68    60    70    71   0.43600  1.0 3.0
   68    74   -78    53   0.06250  1.0 1.0
   68    74   -78    53  -0.01100 -1.0 2.0
   68    74   -78    53   0.28050  1.0 3.0
   68    74    79    80   0.15000  1.0 3.0
   68    74    79    81   0.15000  1.0 3.0
   68    74    79    82  -0.47750  1.0 1.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    78   0.23400  1.0 3.0
   69    68    74    79   0.15000  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   74    68    76    77   0.29150  1.0 1.0
   74    68    76    77  -0.28350 -1.0 2.0
   74    68    76    77   0.43600  1.0 3.0
   74    79    82    83   0.29150  1.0 1.0
   74    79    82    83  -0.28350 -1.0 2.0
   74    79    82    83   0.43600  1.0 3.0
   75    74    78    53   0.37050  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.23400  1.0 3.0
   78    53    57    58   0.23400  1.0 3.0
   78    53   -57    60   0.62750  1.0 1.0
   78    53   -57    60  -0.30950 -1.0 2.0
   78    53   -57    60   0.27300  1.0 3.0
   78    53    57    62   1.51850  1.0 1.0
   78    74    79    80   0.23400  1.0 3.0
   78    74    79    81   0.23400  1.0 3.0
   78    74    79    82   1.51850  1.0 1.0
   79    74    78    53   0.06250  1.0 1.0
   79    74    78    53  -0.01100 -1.0 2.0
   79    74    78    53   0.28050  1.0 3.0
   80    79    82    83   0.19450  1.0 3.0
   81    79    82    83   0.19450  1.0 3.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    78   1.51850  1.0 1.0
   76    68    74    79  -0.47750  1.0 1.0
   70    60    68    69   0.23400  1.0 3.0
   70    60    68    74  -0.47750  1.0 1.0
   70    60    68    76   3.77950  1.0 1.0
   62    57    60    61   0.23400  1.0 3.0
   62    57    60    68  -0.47750  1.0 1.0
   62    57    60    70   3.77950  1.0 1.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    45   3.97050  1.0 1.0
   41    33    37    59   0.56750  1.0 1.0
   41    33    37    59  -0.07550 -1.0 2.0
   41    33    37    59   0.20000  1.0 3.0
   41    33    39    64   0.56750  1.0 1.0
   41    33    39    64  -0.07550 -1.0 2.0
   41    33    39    64   0.20000  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    47   0.86500  1.0 1.0
   41    33    39    47  -0.17500 -1.0 2.0
   41    33    39    47   0.20800  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
   49    52    51    55   1.10000 -1.0 2.0
   59    56    55    51   1.10000 -1.0 2.0
END
