* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    148    221     431
    1     0 S   NP   _N1_     1    30.30788    90.42151   -20.02923
    2     1 S   H    _HN1     2     1.02982   124.06104    84.62634
    3     1 S   H    _H1_     3     1.02729    25.69773    29.33256
    4     1 S   H    _H2_     4     1.03027   115.23395   -50.51857
    5     1 S   CT   _CA1     5     1.50344    86.40543  -163.48297
    6     5 S   HC   _HA1     6     1.09548   105.41916    49.57749
    7     5 S   CO3  _C1_     7     1.53651   112.72246   -71.15383
    8     7 S   O2Z  _O11     8     1.26391   115.06901   -38.96795
    9     7 S   O2Z  _O12     9     1.26258   114.96356   140.26614
   10     5 S   CT   _CB1    10     1.52652   106.70286   167.37638
   11    10 S   HC   HB11    11     1.09776   108.79318   -53.13725
   12    10 S   HC   HB12    12     1.09811   109.85311    62.73609
   13    10 S   CT   _CG1    13     1.52994   114.49065  -173.91521
   14    13 S   HC   HG11    14     1.09519   111.44030   -70.74304
   15    13 S   HC   HG12    15     1.09548   111.02457    49.62174
   16    13 S   C    _CD1    16     1.51477   108.41841   168.61893
   17    16 S   O    _OE1    17     1.22830   121.98726  -102.46980
   18    16 S   N    _N2_    18     1.38340   112.63108    74.16786
   19    18 S   H    _HN2    19     1.01560   119.34289     9.19001
   20    18 S   CT1  _CA2    20     1.45496   122.61224  -167.06207
   21    20 S   HC   _HA2    21     1.09682   108.02823    32.23312
   22    20 S   C    _C2_    22     1.52889   108.25942   -85.21345
   23    22 S   O    _O2_    23     1.22933   122.96463   -27.26963
   24    20 S   CT   _CB2    32     1.53401   112.32822   154.30191
   25    24 S   HC   HB21    33     1.09673   109.66773    71.49024
   26    24 S   HC   HB22    34     1.09579   110.63066  -171.63252
   27    22 S   N    _N3_    24     1.38639   112.31239   155.69188
   28    27 S   H    _HN3    25     1.01489   119.72896     0.72443
   29    24 S   S    _SG2    35     1.82933   115.14838   -47.95939
   30    27 S   CT   _CA3    26     1.45446   122.84884   175.34625
   31    30 S   HC   HA31    27     1.09538   108.97180    29.95975
   32    30 S   HC   HA32    28     1.09480   107.17968   147.09303
   33    29 S   CT   _C22    36     1.82595   100.48587   -62.14933
   34    33 S   HC   _H3_    37     1.09358   108.68817    66.02528
   35    33 S   HC   _H4_    38     1.09544   109.62312   -50.77116
   36    30 S   CO3  _C3_    29     1.53046   113.51868   -93.09166
   37    36 S   O2Z  _O31    30     1.26382   115.76288   -32.69373
   38    36 S   O2Z  _O32    31     1.26401   114.72762   148.18758
   39    33 S   CM   _C12    39     1.52365   109.61419  -171.26046
   40    39 S   CMA  _C13    40     1.36606   123.27995  -104.56550
   41    40 S   OM   _O20    41     1.26817   125.71001    -2.30325
   42    39 S   CT   _C21    79     1.51697   113.43739    76.81663
   43    42 S   HC   _H43    80     1.09438   110.59540   -69.08589
   44    42 S   HC   _H44    81     1.09548   110.00298    50.64712
   45    42 S   HC   _H45    82     1.09350   113.79509   170.00652
   46    40 S   OS   _O25    42     1.41677   111.90904   179.07423
   47    46 S   CT   _C18    43     1.44789   115.15484  -128.78769
   48    47 S   HC   _H36    44     1.09755   110.96121   -36.10838
   49    47 S   CT   _C14    45     1.55896   106.24959    83.78376
   50    49 S   HC   _H31    46     1.09930   108.09128    55.88156
   51    49 S   HC   _H32    47     1.09798   109.58138   -56.85187
   52    47 S   CT   _C16    60     1.56332   107.36469  -154.17889
   53    52 S   HC   _H34    61     1.09764   108.22915   -67.50692
   54    49 S   CM   _C6_    48     1.51216   116.02254  -179.50111
   55    52 S   CM   _C9_    62     1.49506   114.91272    54.02393
   56    54 S   CM   _C4_    49     1.34527   119.26924  -105.10934
   57    56 S   HC   _H27    50     1.08535   121.64611    -5.06840
   58    55 S   CO4  _C10    63     1.47081   110.81507   112.67201
   59    58 S   O    _O22    64     1.21793   127.01761  -174.55173
   60    55 S   CM   _C11    66     1.33708   128.42141   -71.75182
   61    60 S   HC   _H29    67     1.08487   120.97796     2.00184
   62    60 S   HC   _H30    68     1.08509   121.89801  -177.81806
   63    54 S   CT   _C19    75     1.50592   115.79891    73.65650
   64    63 S   HC   _H37    76     1.09363   111.16871   -59.67706
   65    63 S   HC   _H38    77     1.09360   112.98507   179.25875
   66    63 S   HC   _H39    78     1.09535   109.76329    59.75966
   67    56 S   CO4  _C8_    51     1.47526   122.38271   167.16182
   68    67 S   O    _O21    52     1.22698   120.74694    96.39778
   69    79 S   OS   _O23    65     1.44146   110.67857    85.66333
   70    67 S   CM   _C5_    53     1.49973   118.47311   -83.26997
   71    70 S   HC   _H28    54     1.09044   110.77569   166.57071
   72    70 S   CM   _C7_    55     1.35222   131.46082   -12.64272
   73    72 S   CT   _C15    56     1.52241   125.57730    -2.94364
   74    73 S   HC   _H33    57     1.09087   108.49953   -32.31192
   75    72 S   CT   _C20    71     1.51114   118.77696   176.31560
   76    75 S   HC   _H40    72     1.09458   110.64314   114.92417
   77    75 S   HC   _H41    73     1.09542   112.38656    -5.02937
   78    75 S   HC   _H42    74     1.09451   110.47013  -124.62709
   79    73 S   CT   _C17    58     1.54342   111.82429    89.31978
   80    79 S   HC   _H35    59     1.09059   109.73659   -28.69275
   81    73 S   OH   _O24    69     1.42791   111.84393  -146.41917
   82    81 S   HO   _H48    70     0.97259   107.60406    56.60238
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  16   8
  14   5   4  15   7   9   9  10   4   8   3   4   1   1   4   2
   1   1   6   3   6  10   3  10   9   5   5   2   1   1   3   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    79    52    53    55  
   48    49    50    51    54    56    73    79    80    52    53    55    58    69    60    63  
   49    50    51    54    79    52    53    55  
   50    51    54    56    57    67    79    52    53    55    63    64    65    66  
   51    54    56    52    63  
   54    56    52    63  
   53    55    58    59    69    60    61    62    81    54    72    73    74    79    80  
   55    58    69    60    73    79    80  
   56    57    67    68    70    63    64    65    66  
   58    59    69    60    61    62    73    79    80  
   57    67    68    70    71    72    63    64    65    66  
   67    68    70    63  
   59    69    60    61    62    73    79    80  
   69    60    79  
   61    62    69    79  
   62  
    0  
   64    65    66    67  
   65    66  
   66  
    0  
   68    70    71    72    73    75  
   70    71    72  
   81    72    73    74    79    80  
   71    72    73    74    79    81    75    76    77    78  
   72    73    75  
   73    74    79    80    81    82    75    76    77    78  
   74    79    80    81    82    75    76    77    78  
   79    80    81    82    75  
   76    77    78    79    81  
   77    78  
   78  
    0  
   80    81    82  
   81  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    56   549.000  1.340
   54    63   317.000  1.510
   56    57   340.000  1.080
   56    67   320.000  1.462
   67    68   570.000  1.229
   67    70   320.000  1.462
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   317.000  1.510
   72    75   317.000  1.510
   73    74   340.000  1.090
   73    79   268.000  1.529
   73    81   320.000  1.410
   79    80   340.000  1.090
   79    52   268.000  1.529
   79    69   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    69   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   81    82   553.000  0.945
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.02700
   47    52    79    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    70.00000  124.00000
   49    54    63    65.00000  117.92700
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    67    65.00000  118.96000
   54    63    64    35.00000  109.50000
   54    63    65    35.00000  109.50000
   54    63    66    35.00000  109.50000
   56    67    68    80.00000  123.72100
   56    67    70    65.00000  118.65900
   67    56    57    40.00000  117.72500
   67    70    71    40.00000  117.72500
   67    70    72    65.00000  118.96000
   70    67    68    80.00000  123.72100
   70    72    73    70.00000  124.00000
   70    72    75    70.00000  124.00000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  109.50000
   72    73    79    70.00000  112.02700
   72    73    81    90.00000  110.39200
   72    75    76    35.00000  109.50000
   72    75    77    35.00000  109.50000
   72    75    78    35.00000  109.50000
   73    79    80    37.50000  110.70000
   73    79    52    58.35000  112.70000
   73    79    69    50.00000  109.50000
   73    81    82    55.00000  108.50000
   79    73    74    37.50000  110.70000
   79    52    53    37.50000  110.70000
   79    52    55    70.00000  112.02700
   79    69    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    79    80    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    69    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   69    79    80    35.00000  109.50000
   69    79    52    50.00000  109.50000
   69    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   81    73    74    35.00000  109.50000
   81    73    79    50.00000  109.50000
   75    72    73    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   63    54    56    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.61850  1.0 1.0
   46    47    49    54  -0.22750 -1.0 2.0
   46    47    49    54   0.15300  1.0 3.0
   46    47    52    79   0.62750  1.0 1.0
   46    47    52    79  -0.30950 -1.0 2.0
   46    47    52    79   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.09850  1.0 1.0
   47    49    54    56   0.15250 -1.0 2.0
   47    49    54    56  -0.50650  1.0 3.0
   47    49    54    63   0.46850  1.0 1.0
   47    49    54    63   0.08550 -1.0 2.0
   47    49    54    63   0.09800  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    79   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    79   0.56750  1.0 1.0
   49    47    52    79  -0.07550 -1.0 2.0
   49    47    52    79   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    67   7.00000 -1.0 2.0
   49    54    63    64   0.34800  1.0 3.0
   49    54    63    65   0.34800  1.0 3.0
   49    54    63    66   0.34800  1.0 3.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    63   0.34800  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    63   0.34800  1.0 3.0
   54    56    67    68   1.00000 -1.0 2.0
   54    56    67    70  -1.18350  1.0 1.0
   54    56    67    70   1.45950 -1.0 2.0
   56    54    63    64   0.00000  1.0 1.0
   56    54    63    65   0.00000  1.0 1.0
   56    54    63    66   0.00000  1.0 1.0
   56    67    70    71   0.93700 -1.0 2.0
   56    67    70    72  -1.18350  1.0 1.0
   56    67    70    72   1.45950 -1.0 2.0
   57    56    67    68   0.00000  1.0 1.0
   57    56    67    70   0.93700 -1.0 2.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    75   7.00000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   1.00000 -1.0 2.0
   70    72    73    74   0.00000  1.0 1.0
   70    72    73    79   0.09850  1.0 1.0
   70    72    73    79   0.15250 -1.0 2.0
   70    72    73    79  -0.50650  1.0 3.0
   70    72    73    81   0.67800  1.0 1.0
   70    72    73    81   0.47050 -1.0 2.0
   70    72    73    81  -0.62500  1.0 3.0
   70    72    75    76   0.00000  1.0 1.0
   70    72    75    77   0.00000  1.0 1.0
   70    72    75    78   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    75   7.00000 -1.0 2.0
   72    73    79    80   0.15000  1.0 3.0
   72    73    79    52   0.34400  1.0 1.0
   72    73    79    52   0.09450 -1.0 2.0
   72    73    79    52   0.11100  1.0 3.0
   72    73    79    69   0.61850  1.0 1.0
   72    73    79    69  -0.22750 -1.0 2.0
   72    73    79    69   0.15300  1.0 3.0
   72    73    81    82  -0.07800  1.0 1.0
   72    73    81    82  -0.21500 -1.0 2.0
   72    73    81    82  -0.03150  1.0 3.0
   73    72    75    76   0.34800  1.0 3.0
   73    72    75    77   0.34800  1.0 3.0
   73    72    75    78   0.34800  1.0 3.0
   73    79    52    47   0.56750  1.0 1.0
   73    79    52    47  -0.07550 -1.0 2.0
   73    79    52    47   0.20000  1.0 3.0
   73    79    52    53   0.15000  1.0 3.0
   73    79    52    55   0.34400  1.0 1.0
   73    79    52    55   0.09450 -1.0 2.0
   73    79    52    55   0.11100  1.0 3.0
   73    79    69    58  -0.25900  1.0 1.0
   73    79    69    58  -0.47000 -1.0 2.0
   73    79    69    58   0.11750  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    52   0.15000  1.0 3.0
   74    73    79    69   0.23400  1.0 3.0
   74    73    81    82   0.19450  1.0 3.0
   79    73    81    82  -0.11600  1.0 1.0
   79    73    81    82  -0.09450 -1.0 2.0
   79    73    81    82   0.21250  1.0 3.0
   79    52   -55    58   0.09700  1.0 1.0
   79    52   -55    58   0.15600 -1.0 2.0
   79    52   -55    58  -0.50800  1.0 3.0
   79    52    55    60   0.09850  1.0 1.0
   79    52    55    60   0.15250 -1.0 2.0
   79    52    55    60  -0.50650  1.0 3.0
   80    79    52    47   0.15000  1.0 3.0
   80    79    52    53   0.15000  1.0 3.0
   80    79    52    55   0.15000  1.0 3.0
   80    79    69    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.34400  1.0 1.0
   52    47    49    54   0.09450 -1.0 2.0
   52    47    49    54   0.11100  1.0 3.0
   52    79   -69    58  -0.25900  1.0 1.0
   52    79   -69    58  -0.47000 -1.0 2.0
   52    79   -69    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    69  -0.15000  1.0 1.0
   52    55   -58    69   0.89550 -1.0 2.0
   52    55   -58    69  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -69    79   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    69    79   3.00000 -1.0 2.0
   69    79    52    47   0.62750  1.0 1.0
   69    79    52    47  -0.30950 -1.0 2.0
   69    79    52    47   0.27300  1.0 3.0
   69    79    52    53   0.23400  1.0 3.0
   69    79   -52    55   0.61850  1.0 1.0
   69    79   -52    55  -0.22750 -1.0 2.0
   69    79   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    69  -0.56150  1.0 1.0
   60    55    58    69   2.19150 -1.0 2.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    52   0.86500  1.0 1.0
   81    73    79    52  -0.17500 -1.0 2.0
   81    73    79    52   0.20800  1.0 3.0
   81    73    79    69   3.69350  1.0 1.0
   81    73    79    69  -1.82950 -1.0 2.0
   75    72    73    74   0.34800  1.0 3.0
   75    72    73    79   0.46850  1.0 1.0
   75    72    73    79   0.08550 -1.0 2.0
   75    72    73    79   0.09800  1.0 3.0
   75    72    73    81   0.18000  1.0 1.0
   75    72    73    81   0.16450 -1.0 2.0
   75    72    73    81   0.04450  1.0 3.0
   63    54    56    57   7.00000 -1.0 2.0
   63    54    56    67   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   49    63    54    56   1.10000 -1.0 2.0
   67    57    56    54   1.10000 -1.0 2.0
   56    70    67    68  10.50000 -1.0 2.0
   67    71    70    72   1.10000 -1.0 2.0
   73    75    72    70   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    69    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
END
