* LIGAND DATABASE FILE (OPLS2005)
*
001      91    91    168    258     501
    1     0 S   NP   _N1_     1    28.54270    95.01100   -23.30930
    2     1 S   H    _HN1     2     1.02782    99.32195   -94.90168
    3     1 S   H    _H1_     3     1.02949    84.27245    12.81164
    4     1 S   H    _H2_     4     1.02831    29.03874   154.90066
    5     1 S   CT   _CA1     5     1.50108   137.44292   126.95953
    6     5 S   HC   _HA1     6     1.09576   105.20738    73.31481
    7     5 S   CO3  _C1_     7     1.53800   112.40232   -46.90633
    8     7 S   O2Z  _O11     8     1.26376   115.00241   -43.67740
    9     7 S   O2Z  _O12     9     1.26236   114.94828   135.40805
   10     5 S   CT   _CB1    10     1.53088   107.42584  -168.73163
   11    10 S   HC   HB11    11     1.09826   109.37790   -49.88490
   12    10 S   HC   HB12    12     1.09809   110.49070    66.75940
   13    10 S   CT   _CG1    13     1.52941   112.51298  -170.87467
   14    13 S   HC   HG11    14     1.09596   110.58710   -64.36692
   15    13 S   HC   HG12    15     1.09637   109.75877    54.83440
   16    13 S   C    _CD1    16     1.51783   112.40986   174.99031
   17    16 S   O    _OE1    17     1.22714   123.36739     0.33630
   18    16 S   N    _N2_    18     1.38588   111.48349  -179.31672
   19    18 S   H    _HN2    19     1.01543   118.92099     1.07883
   20    18 S   CT1  _CA2    20     1.46235   123.63305   178.22557
   21    20 S   HC   _HA2    21     1.09708   109.27517     3.68371
   22    20 S   C    _C2_    22     1.53605   109.43286  -112.31017
   23    22 S   O    _O2_    23     1.23096   122.00081  -156.57443
   24    20 S   CT   _CB2    32     1.53319   111.15124   125.64918
   25    24 S   HC   HB21    33     1.09402   109.43806    58.92089
   26    24 S   HC   HB22    34     1.09511   110.77831   177.33553
   27    22 S   N    _N3_    24     1.38212   114.10350    30.29279
   28    27 S   H    _HN3    25     1.01572   119.45542    -3.03828
   29    24 S   S    _SG2    35     1.82832   111.38675   -62.97161
   30    27 S   CT   _CA3    26     1.45248   123.33857   178.28776
   31    30 S   HC   HA31    27     1.09539   107.46977   -67.48801
   32    30 S   HC   HA32    28     1.09560   108.07162    49.02549
   33    29 S   CT   _C11    36     1.84500    99.71311   157.61598
   34    33 S   HC   _H3_    37     1.09526   105.75570    42.84776
   35    30 S   CO3  _C3_    29     1.52961   114.00152   171.07012
   36    35 S   O2Z  _O31    30     1.26378   116.07255     1.48662
   37    35 S   O2Z  _O32    31     1.26427   114.41113  -178.49312
   38    33 S   CM   _C10    38     1.51523   108.36757   -76.01586
   39    38 S   HC   _H19    39     1.08880   115.96003   -54.58679
   40    33 S   CT   _C12    58     1.55281   110.03123   158.74057
   41    40 S   HC   _H4_    59     1.10129   106.81478   -58.30827
   42    38 S   CMA  _C9_    40     1.35311   125.65069   125.20371
   43    42 S   OM   _O37    41     1.26221   131.10211     1.29150
   44    40 S   CT   _C16    60     1.55175   113.73769  -176.99828
   45    44 S   HC   _H7_    61     1.09821   109.62955   -46.79987
   46    42 S   CT   _C8_    42     1.53235   116.99341   178.97302
   47    46 S   HC   _H17    43     1.10061   109.44100  -125.78622
   48    46 S   HC   _H18    44     1.09928   110.31921   -11.41924
   49    44 S   CT   _C15    62     1.53440   102.62969  -160.99684
   50    49 S   HC   _H6_    63     1.09440   112.43642   164.13372
   51    44 S   CT   _C17    73     1.53591   113.00651    75.13364
   52    51 S   HC   _H22    74     1.09393   110.56907    58.60267
   53    51 S   HC   _H23    75     1.09622   109.62619   -57.14899
   54    46 S   CT   _C7_    45     1.54006   115.83870   111.24798
   55    54 S   HC   _H15    46     1.09701   110.13344    62.22523
   56    54 S   HC   _H16    47     1.09748   107.87380   177.87146
   57    49 S   CT   _C14    64     1.52441   102.85501    43.42749
   58    57 S   HC   _H20    65     1.09659   108.91114    80.47040
   59    57 S   HC   _H21    66     1.09454   112.34438  -158.72264
   60    49 S   OH   _O35    71     1.42218   111.13207   -73.83923
   61    60 S   HO   _H32    72     0.97238   107.47195   179.75371
   62    51 S   CM   _C18    76     1.50330   112.01091  -175.72639
   63    62 S   HC   _H24    77     1.08950   114.85149    69.01339
   64    54 S   CT   _C6_    48     1.53105   113.56716   -61.12797
   65    64 S   HC   _H13    49     1.09503   109.87937    64.02699
   66    64 S   HC   _H14    50     1.09668   109.76737   -53.81103
   67    40 S   CT   _C13    67     1.54926   115.91597    62.35156
   68    67 S   HC   _H5_    68     1.09353   113.61687    15.99356
   69    62 S   CM   _C19    78     1.34189   128.06439  -111.60333
   70    69 S   HC   _H25    79     1.08914   117.01597  -179.28427
   71    64 S   CT   _C5_    51     1.52957   111.06645  -175.19242
   72    71 S   HC   _H11    52     1.09626   109.84757   -58.01335
   73    71 S   HC   _H12    53     1.09623   109.80827    59.65558
   74    67 S   OH   _O36    69     1.42547   109.15720  -103.82365
   75    74 S   HO   _H33    70     0.97220   107.43268  -179.72446
   76    69 S   CT   _C20    80     1.50132   127.76684     1.02163
   77    76 S   HC   _H26    81     1.09675   108.26269  -122.69182
   78    76 S   HC   _H27    82     1.09352   111.92644    -5.66275
   79    71 S   CT   _C4_    54     1.52001   111.68536  -179.19012
   80    79 S   HC   _H8_    55     1.09426   110.98337   -59.59332
   81    79 S   HC   _H9_    56     1.09445   110.28376  -179.32914
   82    79 S   HC   _H10    57     1.09396   110.95783    61.08408
   83    76 S   CT   _C21    83     1.53091   110.98043   116.97524
   84    83 S   HC   _H28    84     1.09770   109.78327    59.47842
   85    83 S   HC   _H29    85     1.09723   109.79559   -57.42057
   86    83 S   CT   _C22    86     1.52567   111.39950  -179.00988
   87    86 S   HC   _H30    87     1.09716   109.46967    58.41634
   88    86 S   HC   _H31    88     1.09709   109.42329   -58.94031
   89    86 S   CO3  _C23    89     1.53204   115.18210   179.55809
   90    89 S   O2Z  _O34    90     1.26523   114.03614   177.37132
   91    89 S   O2Z  _O33    91     1.26138   116.67417    -2.75364
  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
  16   7   2   1   1  11   4  18   8   8   4  17   9   9   5   4
  13   7  10   4   3   9   5   4   8   5   4   2   1   7   3   9
   5   4   3   2   8   4   6   5   4   1   1   9   5   4   3   2
   1   1   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    40    41    44    67  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    40    41    44    45    49    57    67    68    74    51  
   38    39    42    40    41    44    67  
   36    37  
   37  
    0  
   39    42    43    46    47    48    54    40    41    44    67  
   42    43    46    40  
   41    44    45    49    50    57    58    59    67    68    74    75    60    51    52    53    62    42  
   44    45    49    57    67    68    74    51  
   43    46    47    48    54    55    56    64  
   46    47    48    54  
   45    49    50    57    58    59    67    68    74    60    61    51    52    53    62    63    69  
   49    50    57    67    60    51    52    53    62  
   47    48    54    55    56    64    65    66    71  
   48    54    55    56    64  
   54    55    56    64  
   50    57    58    59    67    68    74    60    61    51    52    53    62  
   57    58    59    67    60    61    51  
   52    53    62    63    69    70    76    57    60    67  
   53    62    63    69  
   62    63    69  
   55    56    64    65    66    71    72    73    79  
   56    64    65    66    71  
   64    65    66    71  
   58    59    67    68    74    75    60    61  
   59    67    68    74    60  
   67    68    74    60  
   61    67  
    0  
   63    69    70    76    77    78    83  
   69    70    76  
   65    66    71    72    73    79    80    81    82  
   66    71    72    73    79  
   71    72    73    79  
   68    74    75  
   74    75  
   70    76    77    78    83    84    85    86  
   76    77    78    83  
   72    73    79    80    81    82  
   73    79    80    81    82  
   79    80    81    82  
   75  
    0  
   77    78    83    84    85    86    87    88    89  
   78    83    84    85    86  
   83    84    85    86  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90    91  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91  
   88    89    90    91  
   89    90    91  
   90    91  
   91  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   91   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    67   268.000  1.529
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    51   268.000  1.529
   49    50   340.000  1.090
   49    57   268.000  1.529
   49    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    67   268.000  1.529
   67    68   340.000  1.090
   67    74   320.000  1.410
   74    75   553.000  0.945
   60    61   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   317.000  1.510
   62    63   340.000  1.080
   62    69   549.000  1.340
   69    70   340.000  1.080
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   317.000  1.522
   89    90   656.000  1.250
   89    91   656.000  1.250
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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    67    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    46    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    46    47    45.00000  110.52000
   42    46    48    45.00000  110.52000
   42    46    54    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    54    55    37.50000  110.70000
   46    54    56    37.50000  110.70000
   46    54    64    58.35000  112.70000
   48    46    47    33.00000  107.80000
   54    46    47    37.50000  110.70000
   54    46    48    37.50000  110.70000
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    71    58.35000  112.70000
   56    54    55    33.00000  107.80000
   64    54    55    37.50000  110.70000
   64    54    56    37.50000  110.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    79    80    37.50000  110.70000
   71    79    81    37.50000  110.70000
   71    79    82    37.50000  110.70000
   73    71    72    33.00000  107.80000
   79    71    72    37.50000  110.70000
   79    71    73    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    49    58.35000  112.70000
   40    44    51    58.35000  112.70000
   40    67    57    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    74    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    57    58.35000  112.70000
   44    49    60    50.00000  109.50000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    62    70.00000  112.02700
   49    44    45    37.50000  110.70000
   49    57    58    37.50000  110.70000
   49    57    59    37.50000  110.70000
   49    57    67    58.35000  112.70000
   49    60    61    55.00000  108.50000
   57    49    50    37.50000  110.70000
   57    67    68    37.50000  110.70000
   57    67    74    50.00000  109.50000
   59    57    58    33.00000  107.80000
   67    40    41    37.50000  110.70000
   67    40    44    58.35000  112.70000
   67    57    58    37.50000  110.70000
   67    57    59    37.50000  110.70000
   67    74    75    55.00000  108.50000
   74    67    68    35.00000  109.50000
   60    49    50    35.00000  109.50000
   60    49    57    50.00000  109.50000
   51    44    45    37.50000  110.70000
   51    44    49    58.35000  112.70000
   51    62    63    35.00000  117.00000
   51    62    69    70.00000  124.00000
   53    51    52    33.00000  107.80000
   62    51    52    35.00000  109.50000
   62    51    53    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    76    70.00000  124.00000
   69    62    63    35.00000  120.00000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    83    70.00000  112.02700
   76    69    70    35.00000  117.00000
   76    83    84    37.50000  110.70000
   76    83    85    37.50000  110.70000
   76    83    86    58.35000  112.70000
   78    76    77    33.00000  107.80000
   83    76    77    37.50000  110.70000
   83    76    78    37.50000  110.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    70.00000  109.69300
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    70.00000  117.00000
   86    89    91    70.00000  117.00000
   88    86    87    33.00000  107.80000
   89    86    87    35.00000  109.50000
   89    86    88    35.00000  109.50000
   91    89    90    80.00000  126.00000
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    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   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  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
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    49   0.56750  1.0 1.0
   33    40    44    49  -0.07550 -1.0 2.0
   33    40    44    49   0.20000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    67    57   0.56750  1.0 1.0
   33    40    67    57  -0.07550 -1.0 2.0
   33    40    67    57   0.20000  1.0 3.0
   33    40    67    68   0.15000  1.0 3.0
   33    40    67    74   0.86500  1.0 1.0
   33    40    67    74  -0.17500 -1.0 2.0
   33    40    67    74   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    54   0.09850  1.0 1.0
   38    42    46    54   0.15250 -1.0 2.0
   38    42    46    54  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    54    55   0.15000  1.0 3.0
   42    46    54    56   0.15000  1.0 3.0
   42    46    54    64   0.34400  1.0 1.0
   42    46    54    64   0.09450 -1.0 2.0
   42    46    54    64   0.11100  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    54   0.09700  1.0 1.0
   43    42    46    54   0.15600 -1.0 2.0
   43    42    46    54  -0.50800  1.0 3.0
   46    54    64    65   0.15000  1.0 3.0
   46    54    64    66   0.15000  1.0 3.0
   46    54    64    71   0.56750  1.0 1.0
   46    54    64    71  -0.07550 -1.0 2.0
   46    54    64    71   0.20000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   47    46    54    64   0.15000  1.0 3.0
   48    46    54    55   0.15000  1.0 3.0
   48    46    54    56   0.15000  1.0 3.0
   48    46    54    64   0.15000  1.0 3.0
   54    64    71    72   0.15000  1.0 3.0
   54    64    71    73   0.15000  1.0 3.0
   54    64    71    79   0.56750  1.0 1.0
   54    64    71    79  -0.07550 -1.0 2.0
   54    64    71    79   0.20000  1.0 3.0
   55    54    64    65   0.15000  1.0 3.0
   55    54    64    66   0.15000  1.0 3.0
   55    54    64    71   0.15000  1.0 3.0
   56    54    64    65   0.15000  1.0 3.0
   56    54    64    66   0.15000  1.0 3.0
   56    54    64    71   0.15000  1.0 3.0
   64    71    79    80   0.15000  1.0 3.0
   64    71    79    81   0.15000  1.0 3.0
   64    71    79    82   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    79   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    79   0.15000  1.0 3.0
   72    71    79    80   0.15000  1.0 3.0
   72    71    79    81   0.15000  1.0 3.0
   72    71    79    82   0.15000  1.0 3.0
   73    71    79    80   0.15000  1.0 3.0
   73    71    79    81   0.15000  1.0 3.0
   73    71    79    82   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    49    50   0.15000  1.0 3.0
   40    44   -49    57   0.56750  1.0 1.0
   40    44   -49    57  -0.07550 -1.0 2.0
   40    44   -49    57   0.20000  1.0 3.0
   40    44    49    60   0.86500  1.0 1.0
   40    44    49    60  -0.17500 -1.0 2.0
   40    44    49    60   0.20800  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    62   0.34400  1.0 1.0
   40    44    51    62   0.09450 -1.0 2.0
   40    44    51    62   0.11100  1.0 3.0
   40    67    74    75  -0.11600  1.0 1.0
   40    67    74    75  -0.09450 -1.0 2.0
   40    67    74    75   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    67    57   0.15000  1.0 3.0
   41    40    67    68   0.15000  1.0 3.0
   41    40    67    74   0.23400  1.0 3.0
   44    40   -67    57   0.56750  1.0 1.0
   44    40   -67    57  -0.07550 -1.0 2.0
   44    40   -67    57   0.20000  1.0 3.0
   44    40    67    68   0.15000  1.0 3.0
   44    40    67    74   0.86500  1.0 1.0
   44    40    67    74  -0.17500 -1.0 2.0
   44    40    67    74   0.20800  1.0 3.0
   44    49    57    58   0.15000  1.0 3.0
   44    49    57    59   0.15000  1.0 3.0
   44    49   -57    67   0.56750  1.0 1.0
   44    49   -57    67  -0.07550 -1.0 2.0
   44    49   -57    67   0.20000  1.0 3.0
   44    49    60    61  -0.11600  1.0 1.0
   44    49    60    61  -0.09450 -1.0 2.0
   44    49    60    61   0.21250  1.0 3.0
   44    51    62    63   0.00000  1.0 1.0
   44    51    62    69   0.09850  1.0 1.0
   44    51    62    69   0.15250 -1.0 2.0
   44    51    62    69  -0.50650  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    57   0.15000  1.0 3.0
   45    44    49    60   0.23400  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    62   0.15000  1.0 3.0
   49    44    51    52   0.15000  1.0 3.0
   49    44    51    53   0.15000  1.0 3.0
   49    44    51    62   0.34400  1.0 1.0
   49    44    51    62   0.09450 -1.0 2.0
   49    44    51    62   0.11100  1.0 3.0
   49    57   -67    40   0.56750  1.0 1.0
   49    57   -67    40  -0.07550 -1.0 2.0
   49    57   -67    40   0.20000  1.0 3.0
   49    57    67    68   0.15000  1.0 3.0
   49    57    67    74   0.86500  1.0 1.0
   49    57    67    74  -0.17500 -1.0 2.0
   49    57    67    74   0.20800  1.0 3.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    59   0.15000  1.0 3.0
   50    49    57    67   0.15000  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   57    49    60    61  -0.11600  1.0 1.0
   57    49    60    61  -0.09450 -1.0 2.0
   57    49    60    61   0.21250  1.0 3.0
   57    67    74    75  -0.11600  1.0 1.0
   57    67    74    75  -0.09450 -1.0 2.0
   57    67    74    75   0.21250  1.0 3.0
   58    57    67    40   0.15000  1.0 3.0
   58    57    67    68   0.15000  1.0 3.0
   58    57    67    74   0.23400  1.0 3.0
   59    57    67    40   0.15000  1.0 3.0
   59    57    67    68   0.15000  1.0 3.0
   59    57    67    74   0.23400  1.0 3.0
   67    40    44    45   0.15000  1.0 3.0
   67    40   -44    49   0.56750  1.0 1.0
   67    40   -44    49  -0.07550 -1.0 2.0
   67    40   -44    49   0.20000  1.0 3.0
   67    40    44    51   0.56750  1.0 1.0
   67    40    44    51  -0.07550 -1.0 2.0
   67    40    44    51   0.20000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   60    49    57    58   0.23400  1.0 3.0
   60    49    57    59   0.23400  1.0 3.0
   60    49    57    67   0.86500  1.0 1.0
   60    49    57    67  -0.17500 -1.0 2.0
   60    49    57    67   0.20800  1.0 3.0
   51    44    49    50   0.15000  1.0 3.0
   51    44    49    57   0.56750  1.0 1.0
   51    44    49    57  -0.07550 -1.0 2.0
   51    44    49    57   0.20000  1.0 3.0
   51    44    49    60   0.86500  1.0 1.0
   51    44    49    60  -0.17500 -1.0 2.0
   51    44    49    60   0.20800  1.0 3.0
   51    62    69    70   7.00000 -1.0 2.0
   51    62    69    76   7.00000 -1.0 2.0
   52    51    62    63   0.33100  1.0 3.0
   52    51    62    69   0.00000  1.0 1.0
   53    51    62    63   0.33100  1.0 3.0
   53    51    62    69   0.00000  1.0 1.0
   62    69    76    77   0.00000  1.0 1.0
   62    69    76    78   0.00000  1.0 1.0
   62    69    76    83   0.09850  1.0 1.0
   62    69    76    83   0.15250 -1.0 2.0
   62    69    76    83  -0.50650  1.0 3.0
   63    62    69    70   7.00000 -1.0 2.0
   63    62    69    76   7.00000 -1.0 2.0
   69    76    83    84   0.15000  1.0 3.0
   69    76    83    85   0.15000  1.0 3.0
   69    76    83    86   0.34400  1.0 1.0
   69    76    83    86   0.09450 -1.0 2.0
   69    76    83    86   0.11100  1.0 3.0
   70    69    76    77   0.33100  1.0 3.0
   70    69    76    78   0.33100  1.0 3.0
   70    69    76    83   0.00000  1.0 1.0
   76    83    86    87   0.15000  1.0 3.0
   76    83    86    88   0.15000  1.0 3.0
   76    83    86    89  -1.63150  1.0 1.0
   76    83    86    89  -0.43550 -1.0 2.0
   76    83    86    89   0.24500  1.0 3.0
   77    76    83    84   0.15000  1.0 3.0
   77    76    83    85   0.15000  1.0 3.0
   77    76    83    86   0.15000  1.0 3.0
   78    76    83    84   0.15000  1.0 3.0
   78    76    83    85   0.15000  1.0 3.0
   78    76    83    86   0.15000  1.0 3.0
   83    86    89    90   0.41150 -1.0 2.0
   83    86    89    91   0.41150 -1.0 2.0
   84    83    86    87   0.15000  1.0 3.0
   84    83    86    88   0.15000  1.0 3.0
   84    83    86    89  -0.11250  1.0 3.0
   85    83    86    87   0.15000  1.0 3.0
   85    83    86    88   0.15000  1.0 3.0
   85    83    86    89  -0.11250  1.0 3.0
   87    86    89    90   0.00000  1.0 1.0
   87    86    89    91   0.00000  1.0 1.0
   88    86    89    90   0.00000  1.0 1.0
   88    86    89    91   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
   33    39    38    42  15.00000 -1.0 2.0
   46    43    42    38  15.00000 -1.0 2.0
   51    63    62    69  15.00000 -1.0 2.0
   76    70    69    62  15.00000 -1.0 2.0
   90    86    89    91  10.50000 -1.0 2.0
END
