* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    160    251     474
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02037   106.52800   -19.19209
    3     1 S   H    _H1_     3     1.02053    59.01119    83.03730
    4     1 S   H    _H2_     4     1.02089    53.12861  -120.49259
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08640   109.89279   179.00771
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.80643    98.65566   -78.15509
   34    33 S   HC   _H3_    37     1.08672   109.67266   -60.00423
   35    33 S   HC   _H4_    38     1.08679   109.70940    59.96080
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C17    39     1.53920   109.86851   180.00000
   40    39 S   CT   _C13    40     1.52784   111.55343    60.35118
   41    40 S   HC   _H34    41     1.09386   112.47274   -47.70919
   42    39 S   OH   _O23    83     1.41650   105.01100   -58.60720
   43    42 S   HO   _H50    84     0.97308   106.99683    60.06021
   44    40 S   CT   _C11    42     1.53584   103.70361    73.15977
   45    44 S   HC   _H31    43     1.09468   111.27781   152.13076
   46    44 S   HC   _H32    44     1.09520   110.92602   -87.80331
   47    40 S   OS   _O22    59     1.43436   109.60483  -166.07297
   48    44 S   CT   _C14    45     1.54513   104.61893    32.11334
   49    48 S   HC   _H35    46     1.08889   109.53363   122.40671
   50    39 S   CT   _C16    47     1.57582   116.05494   172.63873
   51    48 S   OS   _O24    72     1.42507   108.40770  -122.64465
   52    50 S   CT   _C15    48     1.61951   110.74018   173.45563
   53    50 S   CT   _C21    68     1.53651   111.83289    48.35544
   54    53 S   HC   _H45    69     1.08571   109.33387    66.91384
   55    53 S   HC   _H46    70     1.08533   109.36401   -53.10630
   56    53 S   HC   _H47    71     1.08554   109.36208  -173.12274
   57    51 S   CO4  _C9_    73     1.36279   115.69976   -87.40244
   58    57 S   O    _O21    74     1.22017   126.71160     0.00000
   59    52 S   CT   _C10    49     1.55405   113.67596   -69.48670
   60    59 S   HC   _H29    50     1.08794   114.08929    51.88276
   61    59 S   HC   _H30    51     1.09624   109.98093   -68.47465
   62    52 S   CT   _C20    64     1.56566   111.09062   172.54175
   63    62 S   HC   _H42    65     1.07580   107.89036   -56.77180
   64    62 S   HC   _H43    66     1.07590   107.84683  -176.75375
   65    62 S   HC   _H44    67     1.07620   107.89727    63.23858
   66    57 S   CM   _C7_    75     1.47930   107.84361  -179.98022
   67    66 S   HC   _H27    76     1.08485   118.62286    60.00894
   68    59 S   CO4  _C6_    52     1.51786   113.46859   171.29717
   69    68 S   O    _O20    53     1.23092   120.85437   146.51739
   70    66 S   CM   _C8_    77     1.33911   119.96576  -120.04226
   71    70 S   HC   _H28    78     1.08682   120.56971  -179.98022
   72    68 S   CM   _C5_    54     1.48798   118.42485   -37.29850
   73    70 S   CT   _C19    79     1.49280   123.36621     0.00000
   74    73 S   HC   _H39    80     1.09473   109.91714   -90.01948
   75    73 S   HC   _H40    81     1.09439   112.33828   149.55555
   76    73 S   HC   _H41    82     1.09467   109.92626    29.09330
   77    72 S   CM   _C4_    55     1.34017   118.72779    10.06785
   78    77 S   HC   _H26    56     1.08848   118.43820  -178.61831
   79    72 S   CT   _C18    60     1.49625   117.82297  -169.52501
   80    79 S   HC   _H36    61     1.08959   109.66868   -90.39613
   81    79 S   HC   _H37    62     1.08866   109.74065   149.42777
   82    79 S   HC   _H38    63     1.08959   109.63945    29.70898
   83    52 S   CT   _C12    57     1.55992   108.55330    53.33332
   84    83 S   HC   _H33    58     1.09669   108.88575    80.23388
  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   7   5   4   3
  13   5   4   2   1   1  20  16   8   7   1  11   6   5  10  14
   5  18   7  18   6   2   1   1   6   3  13   6   5   7   3   2
   1   7   3   9   3   5   4   8   3   2   1   1   7   3   4   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    50    52    47    53    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    49    50    52    59    83    47    62    53    54    55    56    51    42    43  
   41    44    45    46    48    49    50    52    77    83    84    47    53    51    42    43  
   44    45    46    48    50    83    47    42  
   43    44    47    48    50    52    53  
   50  
   45    46    48    49    50    52    83    47    53    51    57  
   46    48    49    50    47    51  
   48    49    50    47    51  
   62    48    50    52    59    72    77    78    83    84  
   49    50    52    59    83    62    53    54    55    56    51    57    58    66  
   50    52    53    51    57  
   52    59    60    61    68    77    83    84    62    63    64    65    53    54    55    56    51    57  
   57    58    66    67    70    52    53  
   59    60    61    68    69    72    77    78    83    84    62    63    64    65    53    54    55    56  
   54    55    56    59    62    83  
   55    56  
   56  
    0  
   58    66    67    70    71    73  
   66    67    70  
   60    61    68    69    72    77    83    84    79    62    63    64    65  
   61    68    69    72    83    62  
   68    69    72    83    62  
   63    64    65    68    77    83    84  
   64    65    83  
   65    83  
   83  
   67    70    71    73    74    75    76  
   70    71    73  
   69    72    77    78    83    79    80    81    82  
   72    77    79  
   71    73    74    75    76  
   73    74    75    76  
   77    78    83    84    79    80    81    82  
   74    75    76  
   75    76  
   76  
    0  
   78    83    84    79    80    81    82  
   83    84    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    59   268.000  1.529
   52    83   268.000  1.529
   52    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    68   317.000  1.522
   68    69   570.000  1.229
   68    72   320.000  1.462
   72    77   549.000  1.340
   72    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    47   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   51    57   214.000  1.327
   57    58   570.000  1.229
   57    66   320.000  1.462
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   340.000  1.080
   70    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   42    43   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    47    50.00000  109.50000
   39    50    48    58.35000  112.70000
   39    50    52    58.35000  112.70000
   39    50    53    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    83    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    58.35000  112.70000
   44    48    51    50.00000  109.50000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51    57    83.00000  116.90000
   50    39    40    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    59    58.35000  112.70000
   50    52    83    58.35000  112.70000
   50    52    62    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    68    63.00000  111.10000
   52    83    77    70.00000  112.02700
   52    83    84    37.50000  110.70000
   52    83    47    50.00000  109.50000
   52    62    63    37.50000  110.70000
   52    62    64    37.50000  110.70000
   52    62    65    37.50000  110.70000
   59    68    69    80.00000  120.40000
   59    68    72    65.00000  118.62400
   61    59    60    33.00000  107.80000
   68    59    60    35.00000  109.50000
   68    59    61    35.00000  109.50000
   68    72    77    65.00000  118.96000
   68    72    79    65.00000  116.34900
   72    68    69    80.00000  123.72100
   72    77    78    35.00000  120.00000
   72    77    83    70.00000  124.00000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    47    85.00000  110.90400
   83    52    59    58.35000  112.70000
   83    77    78    35.00000  117.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    83    84    35.00000  109.50000
   79    72    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    52    59    58.35000  112.70000
   62    52    83    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51    57    58    83.00000  123.40000
   51    57    66    90.00000  111.29400
   57    66    67    40.00000  117.72500
   57    66    70    65.00000  118.96000
   66    57    58    80.00000  123.72100
   66    70    71    35.00000  120.00000
   66    70    73    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   73    70    71    35.00000  117.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   42    39    40    50.00000  109.50000
   42    39    50    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    50   0.44750  1.0 1.0
   29    33    39    50  -0.17800 -1.0 2.0
   29    33    39    50   0.20200  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    44   0.56750  1.0 1.0
   33    39    40    44  -0.07550 -1.0 2.0
   33    39    40    44   0.20000  1.0 3.0
   33    39    40    47   0.62750  1.0 1.0
   33    39    40    47  -0.30950 -1.0 2.0
   33    39    40    47   0.27300  1.0 3.0
   33    39    50    48   0.56750  1.0 1.0
   33    39    50    48  -0.07550 -1.0 2.0
   33    39    50    48   0.20000  1.0 3.0
   33    39    50    52   0.56750  1.0 1.0
   33    39    50    52  -0.07550 -1.0 2.0
   33    39    50    52   0.20000  1.0 3.0
   33    39    50    53   0.56750  1.0 1.0
   33    39    50    53  -0.07550 -1.0 2.0
   33    39    50    53   0.20000  1.0 3.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    50   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    50   0.15000  1.0 3.0
   35    33    39    42   0.23400  1.0 3.0
   39    40    44    45   0.15000  1.0 3.0
   39    40    44    46   0.15000  1.0 3.0
   39    40   -44    48   0.56750  1.0 1.0
   39    40   -44    48  -0.07550 -1.0 2.0
   39    40   -44    48   0.20000  1.0 3.0
   39    40    47    83   0.06250  1.0 1.0
   39    40    47    83  -0.01100 -1.0 2.0
   39    40    47    83   0.28050  1.0 3.0
   39    50    52    59   0.56750  1.0 1.0
   39    50    52    59  -0.07550 -1.0 2.0
   39    50    52    59   0.20000  1.0 3.0
   39    50   -52    83   0.56750  1.0 1.0
   39    50   -52    83  -0.07550 -1.0 2.0
   39    50   -52    83   0.20000  1.0 3.0
   39    50    52    62   0.56750  1.0 1.0
   39    50    52    62  -0.07550 -1.0 2.0
   39    50    52    62   0.20000  1.0 3.0
   39    50    53    54   0.15000  1.0 3.0
   39    50    53    55   0.15000  1.0 3.0
   39    50    53    56   0.15000  1.0 3.0
   40    39   -50    48   0.56750  1.0 1.0
   40    39   -50    48  -0.07550 -1.0 2.0
   40    39   -50    48   0.20000  1.0 3.0
   40    39    50    52   0.56750  1.0 1.0
   40    39    50    52  -0.07550 -1.0 2.0
   40    39    50    52   0.20000  1.0 3.0
   40    39    50    53   0.56750  1.0 1.0
   40    39    50    53  -0.07550 -1.0 2.0
   40    39    50    53   0.20000  1.0 3.0
   40    39    42    43  -0.11600  1.0 1.0
   40    39    42    43  -0.09450 -1.0 2.0
   40    39    42    43   0.21250  1.0 3.0
   40    44    48    49   0.15000  1.0 3.0
   40    44   -48    50   0.56750  1.0 1.0
   40    44   -48    50  -0.07550 -1.0 2.0
   40    44   -48    50   0.20000  1.0 3.0
   40    44    48    51   0.62750  1.0 1.0
   40    44    48    51  -0.30950 -1.0 2.0
   40    44    48    51   0.27300  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    47    83   0.37050  1.0 3.0
   44    40    47    83   0.06250  1.0 1.0
   44    40    47    83  -0.01100 -1.0 2.0
   44    40    47    83   0.28050  1.0 3.0
   44    48   -50    39   0.56750  1.0 1.0
   44    48   -50    39  -0.07550 -1.0 2.0
   44    48   -50    39   0.20000  1.0 3.0
   44    48    50    52   0.56750  1.0 1.0
   44    48    50    52  -0.07550 -1.0 2.0
   44    48    50    52   0.20000  1.0 3.0
   44    48    50    53   0.56750  1.0 1.0
   44    48    50    53  -0.07550 -1.0 2.0
   44    48    50    53   0.20000  1.0 3.0
   44    48    51    57  -0.25900  1.0 1.0
   44    48    51    57  -0.47000 -1.0 2.0
   44    48    51    57   0.11750  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.23400  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    51   0.23400  1.0 3.0
   48    50    52    59   0.56750  1.0 1.0
   48    50    52    59  -0.07550 -1.0 2.0
   48    50    52    59   0.20000  1.0 3.0
   48    50    52    83   0.56750  1.0 1.0
   48    50    52    83  -0.07550 -1.0 2.0
   48    50    52    83   0.20000  1.0 3.0
   48    50    52    62   0.56750  1.0 1.0
   48    50    52    62  -0.07550 -1.0 2.0
   48    50    52    62   0.20000  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50    53    55   0.15000  1.0 3.0
   48    50    53    56   0.15000  1.0 3.0
   48    51    57    58   3.00000 -1.0 2.0
   48    51    57    66   2.00000 -1.0 2.0
   49    48    50    39   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    51    57   0.08050  1.0 3.0
   50    39    40    41   0.15000  1.0 3.0
   50    39   -40    44   0.56750  1.0 1.0
   50    39   -40    44  -0.07550 -1.0 2.0
   50    39   -40    44   0.20000  1.0 3.0
   50    39    40    47   0.62750  1.0 1.0
   50    39    40    47  -0.30950 -1.0 2.0
   50    39    40    47   0.27300  1.0 3.0
   50    39    42    43  -0.11600  1.0 1.0
   50    39    42    43  -0.09450 -1.0 2.0
   50    39    42    43   0.21250  1.0 3.0
   50    48    51    57  -0.25900  1.0 1.0
   50    48    51    57  -0.47000 -1.0 2.0
   50    48    51    57   0.11750  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    68  -0.95700  1.0 1.0
   50    52    59    68  -0.18200 -1.0 2.0
   50    52    59    68   0.29450  1.0 3.0
   50    52    83    77   0.34400  1.0 1.0
   50    52    83    77   0.09450 -1.0 2.0
   50    52    83    77   0.11100  1.0 3.0
   50    52    83    84   0.15000  1.0 3.0
   50    52   -83    47   0.62750  1.0 1.0
   50    52   -83    47  -0.30950 -1.0 2.0
   50    52   -83    47   0.27300  1.0 3.0
   50    52    62    63   0.15000  1.0 3.0
   50    52    62    64   0.15000  1.0 3.0
   50    52    62    65   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    59    68    69   0.30150 -1.0 2.0
   52    59    68    72   0.65300  1.0 1.0
   52    59    68    72  -0.03850 -1.0 2.0
   52    59    68    72   0.33900  1.0 3.0
   52    83   -47    40   0.06250  1.0 1.0
   52    83   -47    40  -0.01100 -1.0 2.0
   52    83   -47    40   0.28050  1.0 3.0
   59    52    83    77   0.34400  1.0 1.0
   59    52    83    77   0.09450 -1.0 2.0
   59    52    83    77   0.11100  1.0 3.0
   59    52    83    84   0.15000  1.0 3.0
   59    52    83    47   0.62750  1.0 1.0
   59    52    83    47  -0.30950 -1.0 2.0
   59    52    83    47   0.27300  1.0 3.0
   59    52    62    63   0.15000  1.0 3.0
   59    52    62    64   0.15000  1.0 3.0
   59    52    62    65   0.15000  1.0 3.0
   59    68   -72    77  -0.33500  1.0 1.0
   59    68   -72    77   1.06600 -1.0 2.0
   59    68   -72    77  -0.14000  1.0 3.0
   59    68    72    79   0.25700  1.0 1.0
   59    68    72    79   0.66200 -1.0 2.0
   59    68    72    79   0.04450  1.0 3.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    72   0.00000  1.0 1.0
   61    59    68    69   0.00000  1.0 1.0
   61    59    68    72   0.00000  1.0 1.0
   68    72    77    78   7.00000 -1.0 2.0
   68    72    77    83   7.00000 -1.0 2.0
   68    72    79    80   0.15000  1.0 3.0
   68    72    79    81   0.15000  1.0 3.0
   68    72    79    82   0.15000  1.0 3.0
   69    68    72    77   1.00000 -1.0 2.0
   69    68    72    79  -0.64400  1.0 1.0
   69    68    72    79   0.26850 -1.0 2.0
   72    77   -83    52   0.09850  1.0 1.0
   72    77   -83    52   0.15250 -1.0 2.0
   72    77   -83    52  -0.50650  1.0 3.0
   72    77    83    84   0.00000  1.0 1.0
   72    77    83    47   0.39000  1.0 1.0
   72    77    83    47  -0.05800 -1.0 2.0
   72    77    83    47  -0.55150  1.0 3.0
   77    72    79    80   0.00000  1.0 1.0
   77    72    79    81   0.00000  1.0 1.0
   77    72    79    82   0.00000  1.0 1.0
   77    83    47    40  -0.77900  1.0 1.0
   77    83    47    40  -0.36900 -1.0 2.0
   77    83    47    40   0.40400  1.0 3.0
   78    77    83    52   0.00000  1.0 1.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    47   0.00000  1.0 1.0
   83    52    59    60   0.15000  1.0 3.0
   83    52    59    61   0.15000  1.0 3.0
   83    52   -59    68  -0.95700  1.0 1.0
   83    52   -59    68  -0.18200 -1.0 2.0
   83    52   -59    68   0.29450  1.0 3.0
   83    52    62    63   0.15000  1.0 3.0
   83    52    62    64   0.15000  1.0 3.0
   83    52    62    65   0.15000  1.0 3.0
   84    83    47    40   0.37050  1.0 3.0
   47    40    44    45   0.23400  1.0 3.0
   47    40    44    46   0.23400  1.0 3.0
   47    40    44    48   0.62750  1.0 1.0
   47    40    44    48  -0.30950 -1.0 2.0
   47    40    44    48   0.27300  1.0 3.0
   79    72    77    78   7.00000 -1.0 2.0
   79    72    77    83   7.00000 -1.0 2.0
   62    52    59    60   0.15000  1.0 3.0
   62    52    59    61   0.15000  1.0 3.0
   62    52    59    68  -0.95700  1.0 1.0
   62    52    59    68  -0.18200 -1.0 2.0
   62    52    59    68   0.29450  1.0 3.0
   62    52    83    77   0.34400  1.0 1.0
   62    52    83    77   0.09450 -1.0 2.0
   62    52    83    77   0.11100  1.0 3.0
   62    52    83    84   0.15000  1.0 3.0
   62    52    83    47   0.62750  1.0 1.0
   62    52    83    47  -0.30950 -1.0 2.0
   62    52    83    47   0.27300  1.0 3.0
   53    50    52    59   0.56750  1.0 1.0
   53    50    52    59  -0.07550 -1.0 2.0
   53    50    52    59   0.20000  1.0 3.0
   53    50    52    83   0.56750  1.0 1.0
   53    50    52    83  -0.07550 -1.0 2.0
   53    50    52    83   0.20000  1.0 3.0
   53    50    52    62   0.56750  1.0 1.0
   53    50    52    62  -0.07550 -1.0 2.0
   53    50    52    62   0.20000  1.0 3.0
   51    48    50    39   0.62750  1.0 1.0
   51    48    50    39  -0.30950 -1.0 2.0
   51    48    50    39   0.27300  1.0 3.0
   51    48    50    52   0.62750  1.0 1.0
   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   51    57    66    67   1.63100 -1.0 2.0
   51    57    66    70  -0.56150  1.0 1.0
   51    57    66    70   2.19150 -1.0 2.0
   57    66    70    71   7.00000 -1.0 2.0
   57    66    70    73   7.00000 -1.0 2.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    70   1.00000 -1.0 2.0
   66    70    73    74   0.00000  1.0 1.0
   66    70    73    75   0.00000  1.0 1.0
   66    70    73    76   0.00000  1.0 1.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    73   7.00000 -1.0 2.0
   71    70    73    74   0.33100  1.0 3.0
   71    70    73    75   0.33100  1.0 3.0
   71    70    73    76   0.33100  1.0 3.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    48   0.86500  1.0 1.0
   42    39    50    48  -0.17500 -1.0 2.0
   42    39    50    48   0.20800  1.0 3.0
   42    39    50    52   0.86500  1.0 1.0
   42    39    50    52  -0.17500 -1.0 2.0
   42    39    50    52   0.20800  1.0 3.0
   42    39    50    53   0.86500  1.0 1.0
   42    39    50    53  -0.17500 -1.0 2.0
   42    39    50    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   59    72    68    69  10.50000 -1.0 2.0
   68    79    72    77   1.10000 -1.0 2.0
   83    78    77    72   1.10000 -1.0 2.0
   51    66    57    58  10.50000 -1.0 2.0
   57    67    66    70  15.00000 -1.0 2.0
   73    71    70    66  15.00000 -1.0 2.0
END
