* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    165    239     483
    1     0 S   NP   _N1_     1    28.97149    97.14167   -20.36932
    2     1 S   H    _HN1     2     1.02784    83.30166   -83.30108
    3     1 S   H    _H1_     3     1.02952    76.29416    27.50334
    4     1 S   H    _H2_     4     1.02831    48.61461   155.65982
    5     1 S   CT   _CA1     5     1.50123   158.61282   138.64420
    6     5 S   HC   _HA1     6     1.09570   105.21566    72.88437
    7     5 S   CO3  _C1_     7     1.53802   112.37685   -47.40291
    8     7 S   O2Z  _O11     8     1.26375   114.98578   -43.32506
    9     7 S   O2Z  _O12     9     1.26234   114.93289   135.70494
   10     5 S   CT   _CB1    10     1.53056   107.42064  -169.08867
   11    10 S   HC   HB11    11     1.09830   109.44891   -49.15406
   12    10 S   HC   HB12    12     1.09824   110.40878    67.46986
   13    10 S   CT   _CG1    13     1.52995   112.60512  -170.13375
   14    13 S   HC   HG11    14     1.09596   110.53546   -63.74787
   15    13 S   HC   HG12    15     1.09654   109.93327    55.55268
   16    13 S   C    _CD1    16     1.51771   112.17344   176.02142
   17    16 S   O    _OE1    17     1.22740   123.22308     2.70646
   18    16 S   N    _N2_    18     1.38656   111.68901  -177.56884
   19    18 S   H    _HN2    19     1.01569   119.08202     2.35551
   20    18 S   CT1  _CA2    20     1.46276   123.27712  -179.00791
   21    20 S   HC   _HA2    21     1.09744   109.27724    -1.88772
   22    20 S   C    _C2_    22     1.53429   108.72238  -117.48188
   23    22 S   O    _O2_    23     1.23049   122.32302  -148.61083
   24    20 S   CT   _CB2    32     1.53674   111.60120   119.83655
   25    24 S   HC   HB21    33     1.09309   109.23836    60.15616
   26    24 S   HC   HB22    34     1.09402   109.44286   178.93522
   27    22 S   N    _N3_    24     1.38348   113.59799    38.85136
   28    27 S   H    _HN3    25     1.01615   119.47921    -3.53662
   29    24 S   S    _SG2    35     1.82780   110.56346   -61.22170
   30    27 S   CT   _CA3    26     1.45280   123.18586   177.01535
   31    30 S   HC   HA31    27     1.09551   107.52217   -64.07741
   32    30 S   HC   HA32    28     1.09558   107.95880    52.34034
   33    29 S   CT   _C9_    36     1.89391   103.74536   176.26351
   34    30 S   CO3  _C3_    29     1.52945   114.11457   174.32971
   35    34 S   O2Z  _O31    30     1.26369   116.06688    -0.67260
   36    34 S   O2Z  _O32    31     1.26429   114.41150   179.38930
   37    33 S   CT   _C8_    37     1.57448   105.92381   -67.67568
   38    37 S   HC   _H13    38     1.09674   108.63848    59.89102
   39    37 S   HC   _H14    39     1.09654   109.85791   -54.13306
   40    33 S   CT   _C10    55     1.62370   110.08129   168.21558
   41    40 S   OM   _O37    56     1.32917   108.97469   -57.37651
   42    40 S   HC   _H3_    57     1.09218   103.59582   179.07486
   43    33 S   CT   _C22    86     1.55078   109.01000    48.47368
   44    43 S   HC   _H30    87     1.09582   112.41947    50.04391
   45    43 S   HC   _H31    88     1.09543   112.04096   -71.33386
   46    43 S   HC   _H32    89     1.09619   110.72848   169.90533
   47    37 S   CT   _C7_    40     1.54636   119.01394   178.86151
   48    47 S   HC   _H11    41     1.09582   109.92022   -53.80432
   49    47 S   HC   _H12    42     1.09674   109.35462  -168.91740
   50    47 S   CM   _C6_    43     1.49552   113.48205    68.55566
   51    50 S   HC   _H10    44     1.08770   114.24079  -104.55042
   52    50 S   CM   _C5_    45     1.34596   126.28751    66.05737
   53    52 S   CT   _C14    46     1.51005   120.47895  -160.44579
   54    53 S   HC   _H15    47     1.09910   109.47169   164.10192
   55    53 S   HC   _H16    48     1.09792   107.61831   -83.16922
   56    52 S   CT   _C4_    82     1.50499   124.36878    14.30277
   57    56 S   HC   _H7_    83     1.09533   109.75093   125.94386
   58    56 S   HC   _H8_    84     1.09300   113.14077     6.50572
   59    56 S   HC   _H9_    85     1.09427   110.63745  -114.64038
   60    53 S   CT   _C13    49     1.55767   117.55965    41.76845
   61    60 S   HC   _H6_    50     1.09447   111.07219   -55.78257
   62    60 S   CT   _C12    51     1.57238   115.53734    69.14000
   63    62 S   HC   _H5_    52     1.10043   104.85270    51.68849
   64    60 S   OS   _O33    75     1.45670   104.96953  -172.58238
   65    62 S   CT   _C11    53     1.58365   115.57118   -62.45977
   66    65 S   HC   _H4_    54     1.08660   106.31950    57.43519
   67    62 S   CT   _C17    65     1.57636   114.48148   165.26089
   68    67 S   HC   _H20    66     1.09628   108.39843   154.68591
   69    64 S   CO4  _C15    76     1.36341   117.85697    84.24055
   70    69 S   O    _O34    77     1.22305   126.47745    -0.25256
   71    65 S   OS   _O35    58     1.45952   108.92543   170.51382
   72    67 S   CT   _C18    67     1.53671   111.75844   -90.43331
   73    72 S   HC   _H21    68     1.09306   112.37553    64.78766
   74    72 S   HC   _H22    69     1.09526   110.74828   -56.25536
   75    72 S   HC   _H23    70     1.09570   110.45534  -175.07343
   76    67 S   CT   _C19    71     1.53278   115.32314    35.17004
   77    76 S   HC   _H24    72     1.09318   112.25253   -77.07326
   78    76 S   HC   _H25    73     1.09608   109.92000   164.38474
   79    76 S   HC   _H26    74     1.09209   112.33799    44.77900
   80    69 S   CT   _C16    78     1.49829   109.41934   179.61386
   81    80 S   HC   _H17    79     1.09292   109.80456   -61.53950
   82    80 S   HC   _H18    80     1.09375   109.36669   179.38356
   83    80 S   HC   _H19    81     1.09290   109.83430    60.35484
   84    71 S   CO4  _C20    59     1.36172   118.51731   -83.89288
   85    84 S   O    _O36    60     1.22337   126.59308     1.74966
   86    84 S   CT   _C21    61     1.49857   109.49096  -177.83843
   87    86 S   HC   _H27    62     1.09298   109.86788   -57.46135
   88    86 S   HC   _H28    63     1.09373   109.34796  -176.30885
   89    86 S   HC   _H29    64     1.09273   109.87477    64.51557
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  18   2   1   1  16   7   6  15   6   5   5   2   1   1   7   4
   3  10   3  11  14   6   5   4   2   1   1  14   6  17   8   8
   9   3  10   8   5   4   6   7   3   2   1   3   2   1   1   3
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    65    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    50    62    65    66    40    41    42    71    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    52    65    40    41    42    43    44    45    46  
   39    47    48    49    50    40    43  
   47    48    49    50    40    43  
   41    42    71    84    67    43    44    45    46    47    60    62    63    65    66  
   42    71    43    62    65    66  
   71    43    62    65    66  
   44    45    46    47    65  
   45    46  
   46  
    0  
   48    49    50    51    52    53    56  
   49    50    51    52  
   50    51    52  
   51    52    53    54    55    60    56    57    58    59  
   52    53    56  
   53    54    55    60    61    62    64    56    57    58    59  
   54    55    60    61    62    63    65    67    64    69    56    57    58    59  
   55    60    61    62    64    56  
   60    61    62    64    56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    65    66    71    67    68    72    76    64    69    70    80  
   62    63    65    67    64    69  
   63    65    66    71    84    67    68    72    73    74    75    76    77    78    79    64    69  
   65    66    71    67    68    72    76    64  
   69    70    80    81    82    83    65    67  
   66    71    84    85    86    67    68    72    76  
   71    84    67  
   68    72    73    74    75    76    77    78    79    71  
   72    73    74    75    76    77    78    79  
   70    80    81    82    83  
   80    81    82    83  
   84    85    86    87    88    89  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   317.000  1.510
   52    56   317.000  1.510
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    67   268.000  1.529
   65    66   340.000  1.090
   65    40   268.000  1.529
   65    71   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   71    84   214.000  1.327
   84    85   570.000  1.229
   84    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   67    68   340.000  1.090
   67    72   268.000  1.529
   67    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   64    69   214.000  1.327
   69    70   570.000  1.229
   69    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    58.35000  112.70000
   33    40    65    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    70.00000  112.02700
   39    37    38    33.00000  107.80000
   47    37    38    37.50000  110.70000
   47    37    39    37.50000  110.70000
   47    50    51    35.00000  117.00000
   47    50    52    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    52    53    70.00000  124.00000
   50    52    56    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    60    70.00000  112.02700
   52    56    57    35.00000  109.50000
   52    56    58    35.00000  109.50000
   52    56    59    35.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    58.35000  112.70000
   53    60    64    50.00000  109.50000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    65    58.35000  112.70000
   60    62    67    58.35000  112.70000
   60    64    69    83.00000  116.90000
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    40    58.35000  112.70000
   62    65    71    50.00000  109.50000
   62    67    68    37.50000  110.70000
   62    67    72    58.35000  112.70000
   62    67    76    58.35000  112.70000
   65    62    63    37.50000  110.70000
   65    40    41    50.00000  109.50000
   65    40    42    37.50000  110.70000
   65    71    84    83.00000  116.90000
   40    33    37    58.35000  112.70000
   40    65    66    37.50000  110.70000
   42    40    41    45.00000  125.66300
   71    65    66    35.00000  109.50000
   71    65    40    50.00000  109.50000
   71    84    85    83.00000  123.40000
   71    84    86    81.00000  111.40000
   84    86    87    35.00000  109.50000
   84    86    88    35.00000  109.50000
   84    86    89    35.00000  109.50000
   86    84    85    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    65    58.35000  112.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    79    37.50000  110.70000
   72    67    68    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   64    69    70    83.00000  123.40000
   64    69    80    81.00000  111.40000
   69    80    81    35.00000  109.50000
   69    80    82    35.00000  109.50000
   69    80    83    35.00000  109.50000
   80    69    70    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   56    52    53    65.00000  117.92700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.34400  1.0 1.0
   33    37    47    50   0.09450 -1.0 2.0
   33    37    47    50   0.11100  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    50    51   0.00000  1.0 1.0
   37    47    50    52   0.09850  1.0 1.0
   37    47    50    52   0.15250 -1.0 2.0
   37    47    50    52  -0.50650  1.0 3.0
   38    37    47    48   0.15000  1.0 3.0
   38    37    47    49   0.15000  1.0 3.0
   38    37    47    50   0.15000  1.0 3.0
   39    37    47    48   0.15000  1.0 3.0
   39    37    47    49   0.15000  1.0 3.0
   39    37    47    50   0.15000  1.0 3.0
   47    50    52    53   7.00000 -1.0 2.0
   47    50    52    56   7.00000 -1.0 2.0
   48    47    50    51   0.33100  1.0 3.0
   48    47    50    52   0.00000  1.0 1.0
   49    47    50    51   0.33100  1.0 3.0
   49    47    50    52   0.00000  1.0 1.0
   50    52    53    54   0.00000  1.0 1.0
   50    52    53    55   0.00000  1.0 1.0
   50    52    53    60   0.09850  1.0 1.0
   50    52    53    60   0.15250 -1.0 2.0
   50    52    53    60  -0.50650  1.0 3.0
   50    52    56    57   0.00000  1.0 1.0
   50    52    56    58   0.00000  1.0 1.0
   50    52    56    59   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    56   7.00000 -1.0 2.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.34400  1.0 1.0
   52    53    60    62   0.09450 -1.0 2.0
   52    53    60    62   0.11100  1.0 3.0
   52    53    60    64   0.61850  1.0 1.0
   52    53    60    64  -0.22750 -1.0 2.0
   52    53    60    64   0.15300  1.0 3.0
   53    52    56    57   0.34800  1.0 3.0
   53    52    56    58   0.34800  1.0 3.0
   53    52    56    59   0.34800  1.0 3.0
   53    60    62    63   0.15000  1.0 3.0
   53    60    62    65   0.56750  1.0 1.0
   53    60    62    65  -0.07550 -1.0 2.0
   53    60    62    65   0.20000  1.0 3.0
   53    60    62    67   0.56750  1.0 1.0
   53    60    62    67  -0.07550 -1.0 2.0
   53    60    62    67   0.20000  1.0 3.0
   53    60    64    69  -0.25900  1.0 1.0
   53    60    64    69  -0.47000 -1.0 2.0
   53    60    64    69   0.11750  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    64   0.23400  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    64   0.23400  1.0 3.0
   60    62    65    66   0.15000  1.0 3.0
   60    62    65    40   0.56750  1.0 1.0
   60    62    65    40  -0.07550 -1.0 2.0
   60    62    65    40   0.20000  1.0 3.0
   60    62    65    71   0.62750  1.0 1.0
   60    62    65    71  -0.30950 -1.0 2.0
   60    62    65    71   0.27300  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    72   0.56750  1.0 1.0
   60    62    67    72  -0.07550 -1.0 2.0
   60    62    67    72   0.20000  1.0 3.0
   60    62    67    76   0.56750  1.0 1.0
   60    62    67    76  -0.07550 -1.0 2.0
   60    62    67    76   0.20000  1.0 3.0
   60    64    69    70   3.00000 -1.0 2.0
   60    64    69    80   1.63150  1.0 1.0
   60    64    69    80   2.92000 -1.0 2.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    64    69   0.08050  1.0 3.0
   62    60    64    69  -0.25900  1.0 1.0
   62    60    64    69  -0.47000 -1.0 2.0
   62    60    64    69   0.11750  1.0 3.0
   62    65    40    33   0.56750  1.0 1.0
   62    65    40    33  -0.07550 -1.0 2.0
   62    65    40    33   0.20000  1.0 3.0
   62    65    40    41   0.62750  1.0 1.0
   62    65    40    41  -0.30950 -1.0 2.0
   62    65    40    41   0.27300  1.0 3.0
   62    65    40    42   0.15000  1.0 3.0
   62    65    71    84  -0.25900  1.0 1.0
   62    65    71    84  -0.47000 -1.0 2.0
   62    65    71    84   0.11750  1.0 3.0
   62    67    72    73   0.15000  1.0 3.0
   62    67    72    74   0.15000  1.0 3.0
   62    67    72    75   0.15000  1.0 3.0
   62    67    76    77   0.15000  1.0 3.0
   62    67    76    78   0.15000  1.0 3.0
   62    67    76    79   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    40   0.15000  1.0 3.0
   63    62    65    71   0.23400  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    72   0.15000  1.0 3.0
   63    62    67    76   0.15000  1.0 3.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    72   0.56750  1.0 1.0
   65    62    67    72  -0.07550 -1.0 2.0
   65    62    67    72   0.20000  1.0 3.0
   65    62    67    76   0.56750  1.0 1.0
   65    62    67    76  -0.07550 -1.0 2.0
   65    62    67    76   0.20000  1.0 3.0
   65    71    84    85   3.00000 -1.0 2.0
   65    71    84    86   1.63150  1.0 1.0
   65    71    84    86   2.92000 -1.0 2.0
   66    65    40    33   0.15000  1.0 3.0
   66    65    40    41   0.23400  1.0 3.0
   66    65    40    42   0.15000  1.0 3.0
   66    65    71    84   0.08050  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    47   0.56750  1.0 1.0
   40    33    37    47  -0.07550 -1.0 2.0
   40    33    37    47   0.20000  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   40    65    71    84  -0.25900  1.0 1.0
   40    65    71    84  -0.47000 -1.0 2.0
   40    65    71    84   0.11750  1.0 3.0
   71    65    40    33   0.62750  1.0 1.0
   71    65    40    33  -0.30950 -1.0 2.0
   71    65    40    33   0.27300  1.0 3.0
   71    65    40    41   1.11900  1.0 1.0
   71    65    40    41  -1.16350 -1.0 2.0
   71    65    40    41  -0.34150  1.0 3.0
   71    65    40    42   0.23400  1.0 3.0
   71    84    86    87   0.00000  1.0 1.0
   71    84    86    88   0.00000  1.0 1.0
   71    84    86    89   0.00000  1.0 1.0
   85    84    86    87   0.00000  1.0 1.0
   85    84    86    88   0.00000  1.0 1.0
   85    84    86    89   0.00000  1.0 1.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    40   0.56750  1.0 1.0
   67    62    65    40  -0.07550 -1.0 2.0
   67    62    65    40   0.20000  1.0 3.0
   67    62    65    71   0.62750  1.0 1.0
   67    62    65    71  -0.30950 -1.0 2.0
   67    62    65    71   0.27300  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   68    67    76    77   0.15000  1.0 3.0
   68    67    76    78   0.15000  1.0 3.0
   68    67    76    79   0.15000  1.0 3.0
   72    67    76    77   0.15000  1.0 3.0
   72    67    76    78   0.15000  1.0 3.0
   72    67    76    79   0.15000  1.0 3.0
   76    67    72    73   0.15000  1.0 3.0
   76    67    72    74   0.15000  1.0 3.0
   76    67    72    75   0.15000  1.0 3.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    65   0.62750  1.0 1.0
   64    60    62    65  -0.30950 -1.0 2.0
   64    60    62    65   0.27300  1.0 3.0
   64    60    62    67   0.62750  1.0 1.0
   64    60    62    67  -0.30950 -1.0 2.0
   64    60    62    67   0.27300  1.0 3.0
   64    69    80    81   0.00000  1.0 1.0
   64    69    80    82   0.00000  1.0 1.0
   64    69    80    83   0.00000  1.0 1.0
   70    69    80    81   0.00000  1.0 1.0
   70    69    80    82   0.00000  1.0 1.0
   70    69    80    83   0.00000  1.0 1.0
   56    52    53    54   0.34800  1.0 3.0
   56    52    53    55   0.34800  1.0 3.0
   56    52    53    60   0.46850  1.0 1.0
   56    52    53    60   0.08550 -1.0 2.0
   56    52    53    60   0.09800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47   0.56750  1.0 1.0
   43    33    37    47  -0.07550 -1.0 2.0
   43    33    37    47   0.20000  1.0 3.0
   43    33    40    65   0.56750  1.0 1.0
   43    33    40    65  -0.07550 -1.0 2.0
   43    33    40    65   0.20000  1.0 3.0
   43    33    40    41   0.62750  1.0 1.0
   43    33    40    41  -0.30950 -1.0 2.0
   43    33    40    41   0.27300  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   47    51    50    52   1.10000 -1.0 2.0
   53    56    52    50   1.10000 -1.0 2.0
   71    86    84    85  10.50000 -1.0 2.0
   64    80    69    70  10.50000 -1.0 2.0
END
