* LIGAND DATABASE FILE (OPLS2005)
*
001      88    88    161    246     477
    1     0 S   NP   _N1_     1    28.82197    94.41449   -22.62951
    2     1 S   H    _HN1     2     1.02771   100.51332   -87.19784
    3     1 S   H    _H1_     3     1.02953    89.45551    21.39677
    4     1 S   H    _H2_     4     1.02829    23.19543   161.62846
    5     1 S   CT   _CA1     5     1.50159   132.53492   139.02408
    6     5 S   HC   _HA1     6     1.09565   105.22833    68.65512
    7     5 S   CO3  _C1_     7     1.53875   112.17884   -51.65772
    8     7 S   O2Z  _O11     8     1.26400   114.95094   -44.59823
    9     7 S   O2Z  _O12     9     1.26201   115.01825   134.20327
   10     5 S   CT   _CB1    10     1.53092   107.39388  -173.24466
   11    10 S   HC   HB11    11     1.09825   109.68691   -47.70370
   12    10 S   HC   HB12    12     1.09812   110.35152    69.01420
   13    10 S   CT   _CG1    13     1.52948   112.45199  -168.57564
   14    13 S   HC   HG11    14     1.09549   110.45198   -60.94851
   15    13 S   HC   HG12    15     1.09628   109.84183    58.22064
   16    13 S   C    _CD1    16     1.51824   112.31562   178.93891
   17    16 S   O    _OE1    17     1.22743   123.22107     3.03860
   18    16 S   N    _N2_    18     1.38478   111.63083  -177.50472
   19    18 S   H    _HN2    19     1.01969   118.72704     4.50919
   20    18 S   CT1  _CA2    20     1.46130   123.67789  -176.87569
   21    20 S   HC   _HA2    21     1.09732   109.19772   -19.26089
   22    20 S   C    _C2_    22     1.53558   108.58661  -134.81128
   23    22 S   O    _O2_    23     1.23054   122.25283  -148.99480
   24    20 S   CT   _CB2    32     1.53456   111.31412   103.01091
   25    24 S   HC   HB21    33     1.09543   109.72375    49.21474
   26    24 S   HC   HB22    34     1.09494   110.76539   167.97205
   27    22 S   N    _N3_    24     1.38458   113.48902    38.91173
   28    27 S   H    _HN3    25     1.01524   118.92667    -3.28890
   29    24 S   S    _SG2    35     1.82970   112.54728   -72.84064
   30    27 S   CT   _CA3    26     1.45392   123.34961   175.05882
   31    30 S   HC   HA31    27     1.09540   108.95701    29.14485
   32    30 S   HC   HA32    28     1.09492   107.18215   146.04651
   33    29 S   CT   _C14    36     1.81582    98.65879   163.95569
   34    33 S   HC   _H6_    37     1.09753   107.30626    47.64183
   35    30 S   CO3  _C3_    29     1.52949   113.33478   -94.17152
   36    35 S   O2Z  _O31    30     1.26404   115.55980   -42.89582
   37    35 S   O2Z  _O32    31     1.26399   114.94716   138.05311
   38    33 S   CM   _C15    38     1.49725   111.79750   165.02503
   39    38 S   HC   _H20    39     1.08279   123.92911   -34.94759
   40    38 S   CMA  _C16    40     1.34509   112.45590   147.83558
   41    40 S   OM   _O33    41     1.25718   134.45011   179.50782
   42    40 S   CT   _C12    42     1.52896   109.61446    -1.43422
   43    42 S   HC   _H4_    43     1.09812   110.80758  -136.74992
   44    33 S   CT   _C13    44     1.55024   117.60133   -77.38873
   45    44 S   HC   _H5_    45     1.09922   108.73188    88.23969
   46    42 S   CM   _C11    65     1.51449   112.71636    99.76529
   47    46 S   HC   _H19    66     1.08769   117.58254   -43.77652
   48    44 S   CT   _C17    46     1.55076   115.59224   -33.28832
   49    48 S   HC   _H21    47     1.09307   111.37182    50.60066
   50    48 S   HC   _H22    48     1.09733   110.79882   -66.20914
   51    46 S   CM   _C10    67     1.34189   123.06375   138.97069
   52    51 S   HC   _H18    68     1.08759   119.36463    -1.31700
   53    48 S   CM   _C18    49     1.50736   112.22319   172.53975
   54    53 S   HC   _H23    50     1.08811   116.01806    89.39045
   55    51 S   CT   _C9_    69     1.50137   123.67698   176.82017
   56    55 S   HC   _H3_    70     1.09632   111.39563    10.95490
   57    53 S   CM   _C19    51     1.34275   126.31596   -91.52377
   58    57 S   HC   _H24    52     1.08827   117.69818  -178.69794
   59    55 S   CT   _C8_    71     1.53413   112.21767  -112.20182
   60    59 S   HC   _H16    72     1.09801   108.79049  -171.51779
   61    59 S   HC   _H17    73     1.09834   109.83755   -56.60406
   62    55 S   OH   _O36    87     1.42727   108.38152   128.64250
   63    62 S   HO   _H31    88     0.97296   107.35506   -56.68074
   64    57 S   CT   _C20    53     1.50142   126.32048     1.36114
   65    64 S   HC   _H25    54     1.09627   108.08044  -117.35955
   66    64 S   HC   _H26    55     1.09243   111.27950    -0.37534
   67    59 S   CT   _C7_    74     1.53163   113.00865    66.65630
   68    67 S   HC   _H14    75     1.09611   110.23718   -59.43504
   69    67 S   HC   _H15    76     1.09678   109.36896    58.16870
   70    64 S   CT   _C21    56     1.53191   111.86130   121.52439
   71    70 S   HC   _H27    57     1.09724   109.50122    69.05929
   72    70 S   HC   _H28    58     1.09743   109.81914   -47.88686
   73    67 S   CT   _C6_    77     1.52950   111.50041   179.58457
   74    73 S   HC   _H12    78     1.09670   109.79221   -57.00295
   75    73 S   HC   _H13    79     1.09685   109.43170    60.39881
   76    70 S   CT   _C22    59     1.52674   112.34691  -168.38473
   77    76 S   HC   _H29    60     1.09638   109.60969   179.29891
   78    76 S   HC   _H30    61     1.09661   110.22033    62.09149
   79    73 S   CT   _C5_    80     1.52864   111.11187  -178.33493
   80    79 S   HC   _H10    81     1.09558   109.93759   -56.07895
   81    79 S   HC   _H11    82     1.09625   109.78289    61.48897
   82    76 S   CO3  _C23    62     1.52724   111.60044   -60.38868
   83    82 S   O2Z  _O35    63     1.26247   115.21463   -76.42527
   84    82 S   O2Z  _O34    64     1.26381   114.81967   103.73330
   85    79 S   CT   _C4_    83     1.51992   111.56548  -177.30935
   86    85 S   HC   _H7_    84     1.09462   111.01730   -59.99811
   87    85 S   HC   _H8_    85     1.09473   110.97217    60.55083
   88    85 S   HC   _H9_    86     1.09450   110.24776  -179.78694
  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   9   5   4   3
  14   7   2   1   1   9   4   9   4  12   6  10   5   8   3   7
   4   3   9   4   7   3  10   6   8   4  11   6   5   2   1   9
   5   4   9   5   4   8   5   4   9   5   4   5   4   3   6   5
   4   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    49    50    53    46  
   38    39    40    42    44    45    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    46  
   40    41    42    44  
   41    42    43    44    45    48    46    47    51  
   42    43    44    46  
   43    44    45    48    49    50    53    46    47    51    52    55  
   44    45    48    46    47    51  
   45    48    49    50    53    54    57    46    47    51  
   48    49    50    53    46  
   47    51    52    55    56    59    62    48  
   51    52    55  
   49    50    53    54    57    58    64  
   50    53    54    57  
   53    54    57  
   52    55    56    59    60    61    67    62    63  
   55    56    59    62  
   54    57    58    64    65    66    70  
   57    58    64  
   56    59    60    61    67    68    69    73    62    63  
   59    60    61    67    62    63  
   58    64    65    66    70    71    72    76  
   64    65    66    70  
   60    61    67    68    69    73    74    75    79    62    63  
   61    67    68    69    73    62  
   67    68    69    73    62  
   63    67  
    0  
   65    66    70    71    72    76    77    78    82  
   66    70    71    72    76  
   70    71    72    76  
   68    69    73    74    75    79    80    81    85  
   69    73    74    75    79  
   73    74    75    79  
   71    72    76    77    78    82    83    84  
   72    76    77    78    82  
   76    77    78    82  
   74    75    79    80    81    85    86    87    88  
   75    79    80    81    85  
   79    80    81    85  
   77    78    82    83    84  
   78    82    83    84  
   82    83    84  
   80    81    85    86    87    88  
   81    85    86    87    88  
   85    86    87    88  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   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    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   317.000  1.510
   33    44   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    46   317.000  1.510
   44    45   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   317.000  1.522
   82    83   656.000  1.250
   82    84   656.000  1.250
   46    47   340.000  1.080
   46    51   549.000  1.340
   51    52   340.000  1.080
   51    55   317.000  1.510
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   62    63   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    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  112.20000
   29    33    44    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    44    42    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    70.00000  112.02700
   40    42    46    70.00000  110.12100
   42    40    41    85.00000  112.85300
   42    44    45    37.50000  110.70000
   42    44    48    58.35000  112.70000
   42    46    47    35.00000  117.00000
   42    46    51    70.00000  124.00000
   44    33    34    37.50000  110.70000
   44    33    38    70.00000  112.02700
   44    42    43    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    53    54    35.00000  117.00000
   48    53    57    70.00000  124.00000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    57    58    35.00000  120.00000
   53    57    64    70.00000  124.00000
   57    53    54    35.00000  120.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    70    70.00000  112.02700
   64    57    58    35.00000  117.00000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    76    58.35000  112.70000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    82    70.00000  109.69300
   72    70    71    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    72    37.50000  110.70000
   76    82    83    70.00000  117.00000
   76    82    84    70.00000  117.00000
   78    76    77    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    78    35.00000  109.50000
   84    82    83    80.00000  126.00000
   46    42    43    35.00000  109.50000
   46    42    44    70.00000  112.02700
   46    51    52    35.00000  120.00000
   46    51    55    70.00000  124.00000
   51    46    47    35.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    59    70.00000  112.02700
   51    55    62    90.00000  110.39200
   55    51    52    35.00000  117.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    67    58.35000  112.70000
   55    62    63    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    73    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    79    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    81    37.50000  110.70000
   73    79    85    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    85    86    37.50000  110.70000
   79    85    87    37.50000  110.70000
   79    85    88    37.50000  110.70000
   81    79    80    33.00000  107.80000
   85    79    80    37.50000  110.70000
   85    79    81    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   62    55    56    35.00000  109.50000
   62    55    59    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    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    44    42   0.44750  1.0 1.0
   29    33    44    42  -0.17800 -1.0 2.0
   29    33    44    42   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    53   0.34400  1.0 1.0
   33    44    48    53   0.09450 -1.0 2.0
   33    44    48    53   0.11100  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    44    42   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    48   0.15000  1.0 3.0
   38    33   -44    42   0.34400  1.0 1.0
   38    33   -44    42   0.09450 -1.0 2.0
   38    33   -44    42   0.11100  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    48   0.34400  1.0 1.0
   38    33    44    48   0.09450 -1.0 2.0
   38    33    44    48   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    46  -0.28300  1.0 1.0
   38    40    42    46   0.26700 -1.0 2.0
   38    40    42    46  -0.63300  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -44    33   0.34400  1.0 1.0
   40    42   -44    33   0.09450 -1.0 2.0
   40    42   -44    33   0.11100  1.0 3.0
   40    42    44    45   0.15000  1.0 3.0
   40    42    44    48   0.34400  1.0 1.0
   40    42    44    48   0.09450 -1.0 2.0
   40    42    44    48   0.11100  1.0 3.0
   40    42    46    47   0.00000  1.0 1.0
   40    42    46    51  -0.28300  1.0 1.0
   40    42    46    51   0.26700 -1.0 2.0
   40    42    46    51  -0.63300  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.09700  1.0 1.0
   41    40    42    44   0.15600 -1.0 2.0
   41    40    42    44  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    50   0.15000  1.0 3.0
   42    44    48    53   0.34400  1.0 1.0
   42    44    48    53   0.09450 -1.0 2.0
   42    44    48    53   0.11100  1.0 3.0
   42    46    51    52   7.00000 -1.0 2.0
   42    46    51    55   7.00000 -1.0 2.0
   43    42    44    33   0.15000  1.0 3.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    48   0.15000  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    51   0.00000  1.0 1.0
   44    33    38    39   0.00000  1.0 1.0
   44    33   -38    40   0.09850  1.0 1.0
   44    33   -38    40   0.15250 -1.0 2.0
   44    33   -38    40  -0.50650  1.0 3.0
   44    42    46    47   0.00000  1.0 1.0
   44    42    46    51   0.09850  1.0 1.0
   44    42    46    51   0.15250 -1.0 2.0
   44    42    46    51  -0.50650  1.0 3.0
   44    48    53    54   0.00000  1.0 1.0
   44    48    53    57   0.09850  1.0 1.0
   44    48    53    57   0.15250 -1.0 2.0
   44    48    53    57  -0.50650  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    53   0.15000  1.0 3.0
   48    53    57    58   7.00000 -1.0 2.0
   48    53    57    64   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    57   0.00000  1.0 1.0
   50    48    53    54   0.33100  1.0 3.0
   50    48    53    57   0.00000  1.0 1.0
   53    57    64    65   0.00000  1.0 1.0
   53    57    64    66   0.00000  1.0 1.0
   53    57    64    70   0.09850  1.0 1.0
   53    57    64    70   0.15250 -1.0 2.0
   53    57    64    70  -0.50650  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    64   7.00000 -1.0 2.0
   57    64    70    71   0.15000  1.0 3.0
   57    64    70    72   0.15000  1.0 3.0
   57    64    70    76   0.34400  1.0 1.0
   57    64    70    76   0.09450 -1.0 2.0
   57    64    70    76   0.11100  1.0 3.0
   58    57    64    65   0.33100  1.0 3.0
   58    57    64    66   0.33100  1.0 3.0
   58    57    64    70   0.00000  1.0 1.0
   64    70    76    77   0.15000  1.0 3.0
   64    70    76    78   0.15000  1.0 3.0
   64    70    76    82  -1.63150  1.0 1.0
   64    70    76    82  -0.43550 -1.0 2.0
   64    70    76    82   0.24500  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    76   0.15000  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    72   0.15000  1.0 3.0
   66    64    70    76   0.15000  1.0 3.0
   70    76    82    83   0.41150 -1.0 2.0
   70    76    82    84   0.41150 -1.0 2.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    82  -0.11250  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    82  -0.11250  1.0 3.0
   77    76    82    83   0.00000  1.0 1.0
   77    76    82    84   0.00000  1.0 1.0
   78    76    82    83   0.00000  1.0 1.0
   78    76    82    84   0.00000  1.0 1.0
   46    42    44    33   0.34400  1.0 1.0
   46    42    44    33   0.09450 -1.0 2.0
   46    42    44    33   0.11100  1.0 3.0
   46    42    44    45   0.15000  1.0 3.0
   46    42    44    48   0.34400  1.0 1.0
   46    42    44    48   0.09450 -1.0 2.0
   46    42    44    48   0.11100  1.0 3.0
   46    51    55    56   0.00000  1.0 1.0
   46    51    55    59   0.09850  1.0 1.0
   46    51    55    59   0.15250 -1.0 2.0
   46    51    55    59  -0.50650  1.0 3.0
   46    51    55    62   0.67800  1.0 1.0
   46    51    55    62   0.47050 -1.0 2.0
   46    51    55    62  -0.62500  1.0 3.0
   47    46    51    52   7.00000 -1.0 2.0
   47    46    51    55   7.00000 -1.0 2.0
   51    55    59    60   0.15000  1.0 3.0
   51    55    59    61   0.15000  1.0 3.0
   51    55    59    67   0.34400  1.0 1.0
   51    55    59    67   0.09450 -1.0 2.0
   51    55    59    67   0.11100  1.0 3.0
   51    55    62    63  -0.07800  1.0 1.0
   51    55    62    63  -0.21500 -1.0 2.0
   51    55    62    63  -0.03150  1.0 3.0
   52    51    55    56   0.33100  1.0 3.0
   52    51    55    59   0.00000  1.0 1.0
   52    51    55    62   0.00000  1.0 1.0
   55    59    67    68   0.15000  1.0 3.0
   55    59    67    69   0.15000  1.0 3.0
   55    59    67    73   0.56750  1.0 1.0
   55    59    67    73  -0.07550 -1.0 2.0
   55    59    67    73   0.20000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    67   0.15000  1.0 3.0
   56    55    62    63   0.19450  1.0 3.0
   59    55    62    63  -0.11600  1.0 1.0
   59    55    62    63  -0.09450 -1.0 2.0
   59    55    62    63   0.21250  1.0 3.0
   59    67    73    74   0.15000  1.0 3.0
   59    67    73    75   0.15000  1.0 3.0
   59    67    73    79   0.56750  1.0 1.0
   59    67    73    79  -0.07550 -1.0 2.0
   59    67    73    79   0.20000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    73   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    73   0.15000  1.0 3.0
   67    73    79    80   0.15000  1.0 3.0
   67    73    79    81   0.15000  1.0 3.0
   67    73    79    85   0.56750  1.0 1.0
   67    73    79    85  -0.07550 -1.0 2.0
   67    73    79    85   0.20000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    79   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    79   0.15000  1.0 3.0
   73    79    85    86   0.15000  1.0 3.0
   73    79    85    87   0.15000  1.0 3.0
   73    79    85    88   0.15000  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    81   0.15000  1.0 3.0
   74    73    79    85   0.15000  1.0 3.0
   75    73    79    80   0.15000  1.0 3.0
   75    73    79    81   0.15000  1.0 3.0
   75    73    79    85   0.15000  1.0 3.0
   80    79    85    86   0.15000  1.0 3.0
   80    79    85    87   0.15000  1.0 3.0
   80    79    85    88   0.15000  1.0 3.0
   81    79    85    86   0.15000  1.0 3.0
   81    79    85    87   0.15000  1.0 3.0
   81    79    85    88   0.15000  1.0 3.0
   62    55    59    60   0.23400  1.0 3.0
   62    55    59    61   0.23400  1.0 3.0
   62    55    59    67   0.86500  1.0 1.0
   62    55    59    67  -0.17500 -1.0 2.0
   62    55    59    67   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   48    54    53    57  15.00000 -1.0 2.0
   64    58    57    53  15.00000 -1.0 2.0
   83    76    82    84  10.50000 -1.0 2.0
   42    47    46    51  15.00000 -1.0 2.0
   55    52    51    46  15.00000 -1.0 2.0
END
