* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    149    229     443
    1     0 S   NP   _N1_     1    29.23810    91.81419   -19.14530
    2     1 S   H    _HN1     2     1.02968   109.54197    59.08547
    3     1 S   H    _H1_     3     1.02835    13.26195   140.52329
    4     1 S   H    _H2_     4     1.02787    94.96989   -52.31118
    5     1 S   CT   _CA1     5     1.50146   120.09133  -171.59515
    6     5 S   HC   _HA1     6     1.09600   105.14585    48.52289
    7     5 S   CO3  _C1_     7     1.53672   112.47076   -71.21717
    8     7 S   O2Z  _O11     8     1.26290   115.10585   -44.45703
    9     7 S   O2Z  _O12     9     1.26237   114.88296   134.68166
   10     5 S   CT   _CB1    10     1.53099   107.32459   165.90999
   11    10 S   HC   HB11    11     1.09787   108.71062   -54.71576
   12    10 S   HC   HB12    12     1.09809   110.57183    61.45022
   13    10 S   CT   _CG1    13     1.53054   112.93168  -176.37663
   14    13 S   HC   HG11    14     1.09594   109.86156   -68.84867
   15    13 S   HC   HG12    15     1.09630   110.39744    50.09978
   16    13 S   C    _CD1    16     1.51904   112.13267   169.53952
   17    16 S   O    _OE1    17     1.22764   122.85553   -24.41861
   18    16 S   N    _N2_    18     1.38518   112.10576   157.44218
   19    18 S   H    _HN2    19     1.01584   119.07805    -0.87982
   20    18 S   CT1  _CA2    20     1.46459   123.57610   179.84934
   21    20 S   HC   _HA2    21     1.09741   109.23491   -20.57808
   22    20 S   C    _C2_    22     1.53480   107.92568  -136.02174
   23    22 S   O    _O2_    23     1.22985   122.45244  -145.78706
   24    20 S   CT   _CB2    32     1.53521   111.33546   101.87838
   25    24 S   HC   HB21    33     1.09522   109.07450    50.67081
   26    24 S   HC   HB22    34     1.09460   111.01329   169.34093
   27    22 S   N    _N3_    24     1.38584   113.21704    41.63544
   28    27 S   H    _HN3    25     1.01535   118.87204    -0.50124
   29    24 S   S    _SG2    35     1.82924   111.37721   -71.48862
   30    27 S   CT   _CA3    26     1.45448   123.49104   175.20498
   31    30 S   HC   HA31    27     1.09519   109.28227    23.24423
   32    30 S   HC   HA32    28     1.09496   107.09671   140.25742
   33    29 S   CT   _C14    36     1.86824   100.39021   148.67349
   34    33 S   HC   _H5_    37     1.08911   104.88726   -10.18457
   35    30 S   CO3  _C3_    29     1.52926   113.14283  -100.27065
   36    35 S   O2Z  _O31    30     1.26403   115.43430   -43.46624
   37    35 S   O2Z  _O32    31     1.26360   114.96848   137.50745
   38    33 S   CT   _C15    38     1.55139   108.28049  -124.43615
   39    38 S   HC   _H6_    39     1.08668   108.88479  -165.07935
   40    33 S   CT   _C13    63     1.57800   114.95611   106.61607
   41    40 S   OM   _O37    64     1.32560   109.16437   -62.31426
   42    38 S   CT   _C16    40     1.52935   115.75303    71.45803
   43    42 S   HC   _H7_    41     1.09918   109.81697   -54.52595
   44    40 S   CT   _C20    65     1.55013   111.80139    56.15728
   45    44 S   HC   _H21    66     1.09643   113.17564   -58.37186
   46    44 S   HC   _H22    67     1.09912   111.79587  -178.32883
   47    44 S   HC   _H23    68     1.09534   111.08673    62.86388
   48    42 S   CM   _C17    42     1.49590    97.88859  -163.20897
   49    42 S   CT   _C6_    49     1.54461   116.07671    66.54684
   50    49 S   HC   _H3_    50     1.09464   107.01168   -62.81981
   51    48 S   CO4  _C19    43     1.48516   107.26592    30.53559
   52    51 S   O    _O35    44     1.21744   127.08622   165.09167
   53    48 S   CM   _C18    46     1.33486   131.60181  -148.41647
   54    53 S   HC   _H19    47     1.08397   121.58228    -1.23242
   55    53 S   HC   _H20    48     1.08525   121.57666   179.50981
   56    49 S   CT   _C7_    51     1.54648   118.39193    60.97921
   57    56 S   HC   _H11    52     1.09872   108.26791   175.51725
   58    56 S   HC   _H12    53     1.09751   108.57190    63.48704
   59    49 S   OS   _O34    75     1.45578   106.55773  -176.57846
   60    38 S   OS   _O36    45     1.44041   113.72507   -49.81736
   61    56 S   CM   _C8_    54     1.51967   117.87795   -63.12283
   62    59 S   CO4  _C5_    76     1.36216   117.90346   147.65252
   63    62 S   O    _O33    77     1.22342   126.36106    -0.21214
   64    61 S   CT   _C10    55     1.52050   117.39535   -56.47170
   65    64 S   HC   _H4_    56     1.08941   109.24026    26.92899
   66    61 S   CM   _C9_    72     1.34523   119.50910   126.03684
   67    66 S   HC   _H13    73     1.08417   122.01449   177.78716
   68    66 S   HC   _H14    74     1.08535   121.40594    -1.54990
   69    62 S   CT   _C4_    78     1.49773   109.81339  -178.42095
   70    69 S   HC   _H8_    79     1.09363   109.27281  -158.16510
   71    69 S   HC   _H9_    80     1.09182   109.44959    81.87330
   72    69 S   HC   _H10    81     1.09349   110.31710   -39.84961
   73    64 S   CT   _C11    57     1.54344   118.08291   150.62154
   74    73 S   HC   _H15    58     1.09803   108.26090  -178.75557
   75    73 S   HC   _H16    59     1.09961   107.99763    69.94945
   76    64 S   OS   _O38    69     1.44196   105.93659   -87.97903
   77    73 S   CT   _C12    60     1.54824   119.85324   -53.29193
   78    77 S   HC   _H17    61     1.09536   109.13176    61.41162
   79    77 S   HC   _H18    62     1.10343   104.69267   171.20784
   80    76 S   OH   _O39    70     1.45661   106.37724   148.14053
   81    80 S   HO   _H24    71     0.97266    95.98750   102.66736
  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
  19   8   2   1   1  16   7  14   8  16   8   7   3   2   1  10
  14   6   5   2   3   1   1  12   5   4   7   1  11   5   4  13
   7   4   1   1   3   2   1   1   7   5   4   3   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    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    60    77    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    51    60    49    73    77    78    79    40    41    44    45    46    47  
   38    39    42    60    77    40    41    44  
   36    37  
   37  
    0  
   39    42    43    48    51    52    60    53    49    50    56    77    40    41    44    59  
   42    43    48    51    60    49    40  
   41    44    45    46    47    42    60    64    73    74    75    77    78    79  
   44    45    46    47    73    77    78    79  
   43    48    51    52    60    53    54    55    49    50    56    57    58    61    59    62  
   48    51    60    53    49    50    56    59  
   45    46    47    73    77    78    79  
   46    47    77  
   47    77  
   77  
   51    52    60    53    54    55    49    50    56    59  
   50    56    57    58    61    64    66    59    62    63    69    51    53    60  
   56    57    58    61    59    62  
   52    60    53    54    55  
   60    53  
   54    55    60  
   55  
    0  
   57    58    61    64    65    73    76    66    67    68    59    62  
   58    61    64    66    59  
   61    64    66    59  
   62    63    69    70    71    72    61  
    0  
   64    65    73    74    75    77    76    80    66    67    68  
   63    69    70    71    72  
   69    70    71    72  
   65    73    74    75    77    78    79    76    80    81    66    67    68  
   73    74    75    77    76    80    66  
   67    68    73    76  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    77    78    79    76    80  
   75    77    78    79    76  
   77    78    79    76  
   80    81    77  
   78    79  
   79  
    0  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.418000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    60   320.000  1.410
   42    43   340.000  1.090
   42    48   317.000  1.510
   42    49   268.000  1.529
   48    51   320.000  1.462
   48    53   549.000  1.340
   51    52   570.000  1.229
   51    60   214.000  1.327
   53    54   340.000  1.080
   53    55   340.000  1.080
   49    50   340.000  1.090
   49    56   268.000  1.529
   49    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   317.000  1.510
   61    64   317.000  1.510
   61    66   549.000  1.340
   64    65   340.000  1.090
   64    73   268.000  1.529
   64    76   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    40   268.000  1.529
   40    41   570.000  1.307
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   76    80   295.000  1.451
   80    81   553.000  0.945
   66    67   340.000  1.080
   66    68   340.000  1.080
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    60    50.00000  109.50000
   33    40    77    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    44    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    48    70.00000  112.02700
   38    42    49    58.35000  112.70000
   38    60    51    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    48    51    65.00000  116.34900
   42    48    53    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    56    58.35000  112.70000
   42    49    59    50.00000  109.50000
   48    42    43    35.00000  109.50000
   48    51    52    80.00000  123.72100
   48    51    60    90.00000  111.29400
   48    53    54    35.00000  120.00000
   48    53    55    35.00000  120.00000
   60    38    39    35.00000  109.50000
   60    38    42    50.00000  109.50000
   60    51    52    83.00000  123.40000
   53    48    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
   49    42    43    37.50000  110.70000
   49    42    48    70.00000  112.02700
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    61    70.00000  112.02700
   49    59    62    83.00000  116.90000
   56    49    50    37.50000  110.70000
   56    61    64    65.00000  117.92700
   56    61    66    70.00000  124.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    64    65    35.00000  109.50000
   61    64    73    70.00000  112.02700
   61    64    76    85.00000  110.90400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   64    73    74    37.50000  110.70000
   64    73    75    37.50000  110.70000
   64    73    77    58.35000  112.70000
   64    76    80   125.00000  106.88800
   73    64    65    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    40    58.35000  112.70000
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   77    40    41    50.00000  109.50000
   77    40    44    58.35000  112.70000
   79    77    78    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    77    78    37.50000  110.70000
   40    77    79    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    47    37.50000  110.70000
   44    40    41    50.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   76    64    65    35.00000  109.50000
   76    64    73    50.00000  109.50000
   76    80    81    90.00000  100.86400
   66    61    64    70.00000  124.00000
   68    66    67    35.00000  117.00000
   59    49    50    35.00000  109.50000
   59    49    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    69    81.00000  111.40000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   69    62    63    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    60   0.56750  1.0 1.0
   29    33    38    60  -0.07550 -1.0 2.0
   29    33    38    60   0.20000  1.0 3.0
   29    33    40    77   0.44750  1.0 1.0
   29    33    40    77  -0.17800 -1.0 2.0
   29    33    40    77   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    48   0.34400  1.0 1.0
   33    38    42    48   0.09450 -1.0 2.0
   33    38    42    48   0.11100  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    60    51  -0.25900  1.0 1.0
   33    38    60    51  -0.47000 -1.0 2.0
   33    38    60    51   0.11750  1.0 3.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    46   0.15000  1.0 3.0
   33    40    44    47   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    60   0.23400  1.0 3.0
   34    33    40    77   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   38    33    40    77   0.56750  1.0 1.0
   38    33    40    77  -0.07550 -1.0 2.0
   38    33    40    77   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    44   0.56750  1.0 1.0
   38    33    40    44  -0.07550 -1.0 2.0
   38    33    40    44   0.20000  1.0 3.0
   38    42   -48    51   0.09700  1.0 1.0
   38    42   -48    51   0.15600 -1.0 2.0
   38    42   -48    51  -0.50800  1.0 3.0
   38    42    48    53   0.09850  1.0 1.0
   38    42    48    53   0.15250 -1.0 2.0
   38    42    48    53  -0.50650  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    56   0.56750  1.0 1.0
   38    42    49    56  -0.07550 -1.0 2.0
   38    42    49    56   0.20000  1.0 3.0
   38    42    49    59   0.62750  1.0 1.0
   38    42    49    59  -0.30950 -1.0 2.0
   38    42    49    59   0.27300  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    48   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    60    51   0.08050  1.0 3.0
   42    38   -60    51  -0.25900  1.0 1.0
   42    38   -60    51  -0.47000 -1.0 2.0
   42    38   -60    51   0.11750  1.0 3.0
   42    48    51    52  -0.64400  1.0 1.0
   42    48    51    52   0.26850 -1.0 2.0
   42    48   -51    60  -0.15000  1.0 1.0
   42    48   -51    60   0.89550 -1.0 2.0
   42    48   -51    60  -0.06900  1.0 3.0
   42    48    53    54   7.00000 -1.0 2.0
   42    48    53    55   7.00000 -1.0 2.0
   42    49    56    57   0.15000  1.0 3.0
   42    49    56    58   0.15000  1.0 3.0
   42    49    56    61   0.34400  1.0 1.0
   42    49    56    61   0.09450 -1.0 2.0
   42    49    56    61   0.11100  1.0 3.0
   42    49    59    62  -0.25900  1.0 1.0
   42    49    59    62  -0.47000 -1.0 2.0
   42    49    59    62   0.11750  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    42    48    53   0.00000  1.0 1.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    56   0.15000  1.0 3.0
   43    42    49    59   0.23400  1.0 3.0
   48    42    49    50   0.15000  1.0 3.0
   48    42    49    56   0.34400  1.0 1.0
   48    42    49    56   0.09450 -1.0 2.0
   48    42    49    56   0.11100  1.0 3.0
   48    42    49    59   0.61850  1.0 1.0
   48    42    49    59  -0.22750 -1.0 2.0
   48    42    49    59   0.15300  1.0 3.0
   48    51   -60    38   2.00000 -1.0 2.0
   51    48    53    54   7.00000 -1.0 2.0
   51    48    53    55   7.00000 -1.0 2.0
   52    51    60    38   3.00000 -1.0 2.0
   60    38    42    43   0.23400  1.0 3.0
   60    38   -42    48   0.61850  1.0 1.0
   60    38   -42    48  -0.22750 -1.0 2.0
   60    38   -42    48   0.15300  1.0 3.0
   60    38    42    49   0.62750  1.0 1.0
   60    38    42    49  -0.30950 -1.0 2.0
   60    38    42    49   0.27300  1.0 3.0
   53    48    51    52   1.00000 -1.0 2.0
   53    48    51    60  -0.56150  1.0 1.0
   53    48    51    60   2.19150 -1.0 2.0
   49    42    48    51   0.09700  1.0 1.0
   49    42    48    51   0.15600 -1.0 2.0
   49    42    48    51  -0.50800  1.0 3.0
   49    42    48    53   0.09850  1.0 1.0
   49    42    48    53   0.15250 -1.0 2.0
   49    42    48    53  -0.50650  1.0 3.0
   49    56    61    64   0.46850  1.0 1.0
   49    56    61    64   0.08550 -1.0 2.0
   49    56    61    64   0.09800  1.0 3.0
   49    56    61    66   0.09850  1.0 1.0
   49    56    61    66   0.15250 -1.0 2.0
   49    56    61    66  -0.50650  1.0 3.0
   49    59    62    63   3.00000 -1.0 2.0
   49    59    62    69   1.63150  1.0 1.0
   49    59    62    69   2.92000 -1.0 2.0
   50    49    56    57   0.15000  1.0 3.0
   50    49    56    58   0.15000  1.0 3.0
   50    49    56    61   0.15000  1.0 3.0
   50    49    59    62   0.08050  1.0 3.0
   56    49    59    62  -0.25900  1.0 1.0
   56    49    59    62  -0.47000 -1.0 2.0
   56    49    59    62   0.11750  1.0 3.0
   56    61    64    65   0.34800  1.0 3.0
   56    61    64    73   0.46850  1.0 1.0
   56    61    64    73   0.08550 -1.0 2.0
   56    61    64    73   0.09800  1.0 3.0
   56    61    64    76   0.09700  1.0 1.0
   56    61    64    76   0.15600 -1.0 2.0
   56    61    64    76  -0.50800  1.0 3.0
   56    61    66    67   7.00000 -1.0 2.0
   56    61    66    68   7.00000 -1.0 2.0
   57    56    61    64   0.34800  1.0 3.0
   57    56    61    66   0.00000  1.0 1.0
   58    56    61    64   0.34800  1.0 3.0
   58    56    61    66   0.00000  1.0 1.0
   61    64    73    74   0.15000  1.0 3.0
   61    64    73    75   0.15000  1.0 3.0
   61    64    73    77   0.34400  1.0 1.0
   61    64    73    77   0.09450 -1.0 2.0
   61    64    73    77   0.11100  1.0 3.0
   61    64    76    80   0.37500  1.0 3.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   64    73    77    78   0.15000  1.0 3.0
   64    73    77    79   0.15000  1.0 3.0
   64    73    77    40   0.56750  1.0 1.0
   64    73    77    40  -0.07550 -1.0 2.0
   64    73    77    40   0.20000  1.0 3.0
   64    76    80    81  -2.50000 -1.0 2.0
   65    64    73    74   0.15000  1.0 3.0
   65    64    73    75   0.15000  1.0 3.0
   65    64    73    77   0.15000  1.0 3.0
   65    64    76    80   0.37500  1.0 3.0
   73    64    76    80   0.37500  1.0 3.0
   73    77    40    33   0.56750  1.0 1.0
   73    77    40    33  -0.07550 -1.0 2.0
   73    77    40    33   0.20000  1.0 3.0
   73    77    40    41   0.62750  1.0 1.0
   73    77    40    41  -0.30950 -1.0 2.0
   73    77    40    41   0.27300  1.0 3.0
   73    77    40    44   0.56750  1.0 1.0
   73    77    40    44  -0.07550 -1.0 2.0
   73    77    40    44   0.20000  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    40   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    40   0.15000  1.0 3.0
   77    40    44    45   0.15000  1.0 3.0
   77    40    44    46   0.15000  1.0 3.0
   77    40    44    47   0.15000  1.0 3.0
   78    77    40    33   0.15000  1.0 3.0
   78    77    40    41   0.23400  1.0 3.0
   78    77    40    44   0.15000  1.0 3.0
   79    77    40    33   0.15000  1.0 3.0
   79    77    40    41   0.23400  1.0 3.0
   79    77    40    44   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    60   0.62750  1.0 1.0
   40    33    38    60  -0.30950 -1.0 2.0
   40    33    38    60   0.27300  1.0 3.0
   41    40    44    45   0.23400  1.0 3.0
   41    40    44    46   0.23400  1.0 3.0
   41    40    44    47   0.23400  1.0 3.0
   76    64    73    74   0.23400  1.0 3.0
   76    64    73    75   0.23400  1.0 3.0
   76    64    73    77   0.62750  1.0 1.0
   76    64    73    77  -0.30950 -1.0 2.0
   76    64    73    77   0.27300  1.0 3.0
   66    61    64    65   0.00000  1.0 1.0
   66    61    64    73   0.09850  1.0 1.0
   66    61    64    73   0.15250 -1.0 2.0
   66    61    64    73  -0.50650  1.0 3.0
   66    61    64    76   0.39000  1.0 1.0
   66    61    64    76  -0.05800 -1.0 2.0
   66    61    64    76  -0.55150  1.0 3.0
   59    49    56    57   0.23400  1.0 3.0
   59    49    56    58   0.23400  1.0 3.0
   59    49    56    61   0.61850  1.0 1.0
   59    49    56    61  -0.22750 -1.0 2.0
   59    49    56    61   0.15300  1.0 3.0
   59    62    69    70   0.00000  1.0 1.0
   59    62    69    71   0.00000  1.0 1.0
   59    62    69    72   0.00000  1.0 1.0
   63    62    69    70   0.00000  1.0 1.0
   63    62    69    71   0.00000  1.0 1.0
   63    62    69    72   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
   42    51    48    53   1.10000 -1.0 2.0
   48    60    51    52  10.50000 -1.0 2.0
   54    55    53    48   1.10000 -1.0 2.0
   56    64    61    66   1.10000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   59    69    62    63  10.50000 -1.0 2.0
END
