* LIGAND DATABASE FILE (OPLS2005)
*
001      87    90    164    251     480
    1     0 S   NP   _N1_     1    28.92856    94.08545   -19.60161
    2     1 S   H    _HN1     2     1.02782    83.20281   -74.48656
    3     1 S   H    _H1_     3     1.02964    96.71300    33.22858
    4     1 S   H    _H2_     4     1.02836    32.01182   144.69809
    5     1 S   CT   _CA1     5     1.50241   141.06117   168.13686
    6     5 S   HC   _HA1     6     1.09577   105.10523    46.69471
    7     5 S   CO3  _C1_     7     1.53856   112.64716   -73.04471
    8     7 S   O2Z  _O11     8     1.26430   115.08983   -33.87412
    9     7 S   O2Z  _O12     9     1.26222   115.05408   145.33854
   10     5 S   CT   _CB1    10     1.53115   107.24721   164.47608
   11    10 S   HC   HB11    11     1.09825   109.20294   -49.46390
   12    10 S   HC   HB12    12     1.09782   110.29703    66.91077
   13    10 S   CT   _CG1    13     1.53028   113.07165  -170.65128
   14    13 S   HC   HG11    14     1.09594   110.28715   -65.07673
   15    13 S   HC   HG12    15     1.09630   110.14973    54.28226
   16    13 S   C    _CD1    16     1.51868   112.28456   174.58684
   17    16 S   O    _OE1    17     1.22734   123.20067    -5.85705
   18    16 S   N    _N2_    18     1.38679   111.68889   174.17187
   19    18 S   H    _HN2    19     1.01579   119.00422     1.79057
   20    18 S   CT1  _CA2    20     1.46469   123.40970  -175.83543
   21    20 S   HC   _HA2    21     1.09739   109.29937   -16.37748
   22    20 S   C    _C2_    22     1.53326   108.27334  -132.21389
   23    22 S   O    _O2_    23     1.22994   122.34243  -145.10840
   24    20 S   CT   _CB2    32     1.53803   111.20708   105.62595
   25    24 S   HC   HB21    33     1.09186   108.61312    57.05963
   26    24 S   HC   HB22    34     1.09459   110.46576   175.63273
   27    22 S   N    _N3_    24     1.38544   113.24899    42.20424
   28    27 S   H    _HN3    25     1.01532   118.88021    -0.53192
   29    24 S   S    _SG2    35     1.82787   110.39552   -64.73715
   30    27 S   CT   _CA3    26     1.45441   123.40236   175.04666
   31    30 S   HC   HA31    27     1.09527   109.16449    25.62331
   32    30 S   HC   HA32    28     1.09493   107.13680   142.62825
   33    29 S   CT   _C12    36     1.91215   103.69236   161.94004
   34    30 S   CO3  _C3_    29     1.52936   113.18315   -97.79477
   35    34 S   O2Z  _O31    30     1.26397   115.44435   -43.30031
   36    34 S   O2Z  _O32    31     1.26361   114.95337   137.63907
   37    33 S   CM   _C11    37     1.52786   101.95332    66.52488
   38    37 S   HC   _H12    38     1.09079   116.38931   -83.00137
   39    33 S   CT   _C13    70     1.56702   113.37288   -50.35714
   40    39 S   HC   _H3_    71     1.09784   107.24764    65.53037
   41    37 S   CMA  _C10    39     1.34802   126.06155    96.37241
   42    41 S   OM   _O36    40     1.26214   128.58557   179.70392
   43    39 S   NT   _N4_    72     1.48284   115.53004  -175.00896
   44    41 S   CM   _C9_    41     1.47791   117.70901     0.15323
   45    43 S   CT   _C5_    73     1.45763   115.72307     9.67585
   46    45 S   HC   _H7_    74     1.09574   111.84397   -78.81647
   47    45 S   HC   _H8_    75     1.09752   108.87729   164.57578
   48    43 S   CT   _C4_    79     1.46092   112.65469  -119.70454
   49    48 S   HC   _H4_    80     1.09574   110.68761   -56.10216
   50    48 S   HC   _H5_    81     1.09576   110.72619  -173.90671
   51    48 S   HC   _H6_    82     1.09565   111.96027    65.09680
   52    44 S   CM   _C8_    42     1.34998   120.44522    13.02522
   53    52 S   HC   _H11    43     1.08636   118.59388   171.60614
   54    58 S   CT   _C6_    76     1.57333   111.96710   163.21473
   55    54 S   HC   _H9_    77     1.09383   112.38111  -112.04181
   56    54 S   HC   _H10    78     1.10069   111.56707   134.09016
   57    44 S   OS   _O37    83     1.38986   115.19760  -169.36816
   58    33 S   CT   _C7_    44     1.59663   109.65765  -173.43039
   59    57 S   CT   _C24    84     1.42104   118.76592   178.50119
   60    59 S   HC   _H25    85     1.09412   107.83059  -177.29557
   61    59 S   HC   _H26    86     1.09461   110.96791    64.94507
   62    59 S   HC   _H27    87     1.09459   111.15164   -59.37356
   63    58 S   CA   _C17    45     1.58281   110.71749    41.87045
   64    63 S   CA   _C16    46     1.43148   120.78033    63.71342
   65    64 S   CA   _C21    47     1.41606   120.26242   178.98163
   66    65 S   HA   _H17    48     1.08867   119.70772  -179.20303
   67    64 S   CT   _C15    64     1.51610   125.33732    -1.50857
   68    67 S   HC   _H15    65     1.09257   110.90432    71.48410
   69    67 S   HC   _H16    66     1.09944   108.75751  -175.80936
   70    65 S   CA   _C20    49     1.38542   121.62820     0.95613
   71    67 S   CT   _C14    67     1.52437   115.26372   -57.79311
   72    71 S   HC   _H13    68     1.10006   107.27832  -165.77887
   73    71 S   HC   _H14    69     1.09522   109.64421   -52.80739
   74    70 S   CA   _C19    50     1.38277   119.53129     0.41590
   75    70 S   OH   _O33    62     1.36628   120.72901   179.57204
   76    75 S   HO   _H18    63     0.97652   108.72678    -9.16834
   77    63 S   CA   _C18    51     1.42989   123.06064  -112.13755
   78    74 S   OS   _O34    57     1.37344   118.74686   178.95564
   79    77 S   OS   _O35    52     1.37444   120.61515     2.73638
   80    78 S   CT   _C22    58     1.42801   109.99561    96.58878
   81    80 S   HC   _H19    59     1.09405   107.78152  -178.09813
   82    80 S   HC   _H20    60     1.09529   111.33501    63.65158
   83    80 S   HC   _H21    61     1.09565   111.26147   -59.84047
   84    79 S   CT   _C23    53     1.42932   112.99873   114.56806
   85    84 S   HC   _H22    54     1.09403   109.23439   106.46604
   86    84 S   HC   _H23    55     1.09589   113.65518   -16.37715
   87    84 S   HC   _H24    56     1.09418   107.91787  -136.38288
  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  12   5   4   3
  23   2   1   1  13   5  21   8   7   3  15  10  13   6   5   5
   2   1   1  10   4   6   3   2   5   8   3   2   1   1  13  13
  11   4   7   4   3   7   2   1   1  10   3   1   7   5   4   3
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    58    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    58    63    71    39    40    43    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    52    53    58    63    64    77    67    71    72    73    39    40    43    45    54    55    56    48  
   35    36  
   36  
    0  
   38    41    42    44    52    58    63    71    39    40    43    54    57  
   41    42    44    58    39  
   40    43    45    46    47    54    48    49    50    51    41    52    58    63    64    67    68    69    71    72    73  
   43    45    48    58    67    71    72    73  
   42    44    52    53    58    57    59  
   44    52    57  
   45    46    47    54    55    56    48    49    50    51    58    67    71    72    73  
   52    53    58    63    54    57    59    60    61    62  
   46    47    54    55    56    48    49    50    51    52    58    63    71  
   47    54    55    56    48    58  
   54    55    56    48    58  
   49    50    51    54    71  
   50    51  
   51  
    0  
   53    58    63    64    77    54    55    56    57    59  
   58    63    54    57  
   55    56    58    63    64    77  
   56    58    63  
   58    63  
   59    60    61    62    58  
   63    64    65    74    77    79    67    71  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66    70    74    77    79    84    78    67    68    69    71  
   65    66    70    74    77    79    75    67    68    69    71    72    73  
   66    70    74    77    78    75    76    67    68    69    71  
   70    74    75    67  
   68    69    71    72    73    70    77  
   69    71    72    73  
   71    72    73  
   74    77    79    78    80    75    76  
   72    73  
   73  
    0  
   77    79    84    78    80    81    82    83    75    76  
   76    77    78  
    0  
   79    84    85    86    87    78    80  
   80    81    82    83    79  
   84    85    86    87  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   44   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   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   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    58   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    44   465.000  1.376
   44    52   549.000  1.340
   44    57   440.000  1.360
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    63   317.000  1.510
   58    54   268.000  1.529
   63    64   469.000  1.400
   63    77   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    70   469.000  1.400
   70    74   469.000  1.400
   70    75   450.000  1.364
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    79   450.000  1.364
   79    84   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   78    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    45   382.000  1.448
   43    48   382.000  1.448
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   57    59   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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  112.20000
   29    33    58    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    58    52    70.00000  112.02700
   33    58    63    70.00000  112.17500
   33    58    54    58.35000  112.70000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   37    41    42    65.00000  137.10300
   37    41    44    70.00000  123.01800
   41    37    38    40.00000  120.50800
   41    44    52    70.00000  117.34000
   41    44    57    80.00000  120.01400
   44    41    42    65.00000  137.10300
   44    52    53    35.00000  120.00000
   44    52    58    70.00000  124.00000
   44    57    59    90.00000  111.18400
   52    58    63    70.00000  112.99600
   52    58    54    70.00000  112.02700
   58    33    37    70.00000  112.02700
   58    52    53    35.00000  117.00000
   58    63    64    70.00000  120.00000
   58    63    77    70.00000  120.00000
   58    54    45    58.35000  112.70000
   58    54    55    37.50000  110.70000
   58    54    56    37.50000  110.70000
   63    64    65    63.00000  120.00000
   63    64    67    70.00000  120.00000
   63    77    74    63.00000  120.00000
   63    77    79    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    70    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    71    70.00000  112.17500
   65    70    74    63.00000  120.00000
   65    70    75    70.00000  120.00000
   70    65    66    35.00000  120.00000
   70    74    77    63.00000  120.00000
   70    74    78    70.00000  120.00000
   70    75    76    35.00000  113.00000
   74    77    79    70.00000  120.00000
   74    78    80    75.00000  111.00000
   77    63    64    63.00000  120.00000
   77    79    84    75.00000  111.00000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   78    74    77    70.00000  120.00000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    70    74    70.00000  120.00000
   67    64    65    70.00000  120.00000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    43    56.20000  109.47000
   73    71    72    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    58    58.35000  112.70000
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   39    43    45    51.80000  107.20000
   39    43    48    51.80000  107.20000
   43    39    40    35.00000  109.50000
   43    45    46    35.00000  109.50000
   43    45    47    35.00000  109.50000
   43    45    54    56.20000  109.47000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   45    54    55    37.50000  110.70000
   45    54    56    37.50000  110.70000
   47    45    46    33.00000  107.80000
   54    58    63    70.00000  112.17500
   54    45    46    37.50000  110.70000
   54    45    47    37.50000  110.70000
   56    54    55    33.00000  107.80000
   48    43    45    51.80000  107.20000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   57    44    52    80.00000  120.01400
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    58   0.01700  1.0 1.0
   24    29    33    58  -0.23550 -1.0 2.0
   24    29    33    58   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    58    52   0.56750  1.0 1.0
   29    33    58    52  -0.07550 -1.0 2.0
   29    33    58    52   0.20000  1.0 3.0
   29    33    58    63   0.56750  1.0 1.0
   29    33    58    63  -0.07550 -1.0 2.0
   29    33    58    63   0.20000  1.0 3.0
   29    33    58    54   0.44750  1.0 1.0
   29    33    58    54  -0.17800 -1.0 2.0
   29    33    58    54   0.20200  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    58    63    64   0.04150 -1.0 2.0
   33    58    63    77   0.04150 -1.0 2.0
   33    58    54    45   0.56750  1.0 1.0
   33    58    54    45  -0.07550 -1.0 2.0
   33    58    54    45   0.20000  1.0 3.0
   33    58    54    55   0.15000  1.0 3.0
   33    58    54    56   0.15000  1.0 3.0
   33    39   -43    45   0.23450  1.0 1.0
   33    39   -43    45   0.02050 -1.0 2.0
   33    39   -43    45   0.25250  1.0 3.0
   33    39    43    48   0.58650  1.0 1.0
   33    39    43    48   0.12600 -1.0 2.0
   33    39    43    48   0.33350  1.0 3.0
   37    33    58    52   0.31000  1.0 1.0
   37    33    58    52   0.14700 -1.0 2.0
   37    33    58    52   0.07550  1.0 3.0
   37    33    58    63   0.21200  1.0 1.0
   37    33    58    63   0.16900 -1.0 2.0
   37    33    58    63  -1.15100  1.0 3.0
   37    33    58    54   0.34400  1.0 1.0
   37    33    58    54   0.09450 -1.0 2.0
   37    33    58    54   0.11100  1.0 3.0
   37    33    39    71   0.34400  1.0 1.0
   37    33    39    71   0.09450 -1.0 2.0
   37    33    39    71   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.59950  1.0 1.0
   37    33    39    43  -0.21400 -1.0 2.0
   37    33    39    43   0.56200  1.0 3.0
   37    41   -44    52   7.00000 -1.0 2.0
   37    41    44    57   7.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    44    52    53   7.00000 -1.0 2.0
   41    44    52    58   7.00000 -1.0 2.0
   41    44    57    59  -2.26850  1.0 1.0
   41    44    57    59   3.39050 -1.0 2.0
   42    41    44    52   7.00000 -1.0 2.0
   42    41    44    57   7.00000 -1.0 2.0
   44    52   -58    33   0.09850  1.0 1.0
   44    52   -58    33   0.15250 -1.0 2.0
   44    52   -58    33  -0.50650  1.0 3.0
   44    52    58    63   1.44450  1.0 1.0
   44    52    58    63   0.06600 -1.0 2.0
   44    52    58    63   0.29250  1.0 3.0
   44    52    58    54   0.09850  1.0 1.0
   44    52    58    54   0.15250 -1.0 2.0
   44    52    58    54  -0.50650  1.0 3.0
   44    57    59    60   0.08050  1.0 3.0
   44    57    59    61   0.08050  1.0 3.0
   44    57    59    62   0.08050  1.0 3.0
   52    44    57    59  -2.26850  1.0 1.0
   52    44    57    59   3.39050 -1.0 2.0
   52    58    63    64   0.18050 -1.0 2.0
   52    58    63    77   0.18050 -1.0 2.0
   52    58    54    45   0.34400  1.0 1.0
   52    58    54    45   0.09450 -1.0 2.0
   52    58    54    45   0.11100  1.0 3.0
   52    58    54    55   0.15000  1.0 3.0
   52    58    54    56   0.15000  1.0 3.0
   53    52    58    33   0.00000  1.0 1.0
   53    52    58    63   0.00000  1.0 1.0
   53    52    58    54   0.00000  1.0 1.0
   58    33    37    38   0.00000  1.0 1.0
   58    33   -37    41   0.09850  1.0 1.0
   58    33   -37    41   0.15250 -1.0 2.0
   58    33   -37    41  -0.50650  1.0 3.0
   58    33    39    71   0.56750  1.0 1.0
   58    33    39    71  -0.07550 -1.0 2.0
   58    33    39    71   0.20000  1.0 3.0
   58    33    39    40   0.15000  1.0 3.0
   58    33    39    43   1.53400  1.0 1.0
   58    33    39    43  -0.09950 -1.0 2.0
   58    33    39    43   0.05700  1.0 3.0
   58    63    64    65   3.62500 -1.0 2.0
   58    63    64    67   3.62500 -1.0 2.0
   58    63    77    74   3.62500 -1.0 2.0
   58    63    77    79   3.62500 -1.0 2.0
   63    58    54    45  -0.03700  1.0 1.0
   63    58    54    45   0.37200 -1.0 2.0
   63    58    54    45  -0.47300  1.0 3.0
   63    58    54    55   0.43200  1.0 3.0
   63    58    54    56   0.43200  1.0 3.0
   63    64    65    66   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    67    68   0.00000  1.0 1.0
   63    64    67    69   0.00000  1.0 1.0
   63    64    67    71   0.04150 -1.0 2.0
   63    77    79    84   1.63200 -1.0 2.0
   64    63    77    74   3.62500 -1.0 2.0
   64    63    77    79   3.62500 -1.0 2.0
   64    65   -70    74   3.62500 -1.0 2.0
   64    65    70    75   3.62500 -1.0 2.0
   64    67    71    72   0.43200  1.0 3.0
   64    67    71    73   0.43200  1.0 3.0
   64    67    71    39  -0.03700  1.0 1.0
   64    67    71    39   0.37200 -1.0 2.0
   64    67    71    39  -0.47300  1.0 3.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    71   0.04150 -1.0 2.0
   65    70    74    77   3.62500 -1.0 2.0
   65    70    74    78   3.62500 -1.0 2.0
   65    70    75    76   0.84100 -1.0 2.0
   66    65    70    74   3.62500 -1.0 2.0
   66    65    70    75   3.62500 -1.0 2.0
   70    74   -77    63   3.62500 -1.0 2.0
   70    74    77    79   3.62500 -1.0 2.0
   70    74    78    80   1.63200 -1.0 2.0
   74    70    75    76   0.84100 -1.0 2.0
   74    77    79    84   1.63200 -1.0 2.0
   74    78    80    81   0.08050  1.0 3.0
   74    78    80    82   0.08050  1.0 3.0
   74    78    80    83   0.08050  1.0 3.0
   77    63   -64    65   3.62500 -1.0 2.0
   77    63    64    67   3.62500 -1.0 2.0
   77    74    78    80   1.63200 -1.0 2.0
   77    79    84    85   0.08050  1.0 3.0
   77    79    84    86   0.08050  1.0 3.0
   77    79    84    87   0.08050  1.0 3.0
   78    74    77    63   3.62500 -1.0 2.0
   78    74    77    79   3.62500 -1.0 2.0
   75    70    74    77   3.62500 -1.0 2.0
   75    70    74    78   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    70   3.62500 -1.0 2.0
   67    71    39    33   0.56750  1.0 1.0
   67    71    39    33  -0.07550 -1.0 2.0
   67    71    39    33   0.20000  1.0 3.0
   67    71    39    40   0.15000  1.0 3.0
   67    71    39    43   1.53400  1.0 1.0
   67    71    39    43  -0.09950 -1.0 2.0
   67    71    39    43   0.05700  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    39   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    39   0.15000  1.0 3.0
   71    39    43    45   0.23450  1.0 1.0
   71    39    43    45   0.02050 -1.0 2.0
   71    39    43    45   0.25250  1.0 3.0
   71    39    43    48   0.23450  1.0 1.0
   71    39    43    48   0.02050 -1.0 2.0
   71    39    43    48   0.25250  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    43   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    43   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    58    52   0.34400  1.0 1.0
   39    33    58    52   0.09450 -1.0 2.0
   39    33    58    52   0.11100  1.0 3.0
   39    33    58    63  -0.03700  1.0 1.0
   39    33    58    63   0.37200 -1.0 2.0
   39    33    58    63  -0.47300  1.0 3.0
   39    33    58    54   0.56750  1.0 1.0
   39    33    58    54  -0.07550 -1.0 2.0
   39    33    58    54   0.20000  1.0 3.0
   39    43    45    46   0.28000  1.0 3.0
   39    43    45    47   0.28000  1.0 3.0
   39    43   -45    54   0.23450  1.0 1.0
   39    43   -45    54   0.02050 -1.0 2.0
   39    43   -45    54   0.25250  1.0 3.0
   39    43    48    49   0.28000  1.0 3.0
   39    43    48    50   0.28000  1.0 3.0
   39    43    48    51   0.28000  1.0 3.0
   40    39    43    45   0.28000  1.0 3.0
   40    39    43    48   0.28000  1.0 3.0
   43    45   -54    58   1.53400  1.0 1.0
   43    45   -54    58  -0.09950 -1.0 2.0
   43    45   -54    58   0.05700  1.0 3.0
   43    45    54    55   0.15000  1.0 3.0
   43    45    54    56   0.15000  1.0 3.0
   45    43    48    49   0.28000  1.0 3.0
   45    43    48    50   0.28000  1.0 3.0
   45    43    48    51   0.28000  1.0 3.0
   46    45    54    58   0.15000  1.0 3.0
   46    45    54    55   0.15000  1.0 3.0
   46    45    54    56   0.15000  1.0 3.0
   47    45    54    58   0.15000  1.0 3.0
   47    45    54    55   0.15000  1.0 3.0
   47    45    54    56   0.15000  1.0 3.0
   54    58    63    64   0.04150 -1.0 2.0
   54    58    63    77   0.04150 -1.0 2.0
   48    43    45    46   0.28000  1.0 3.0
   48    43    45    47   0.28000  1.0 3.0
   48    43    45    54   0.58650  1.0 1.0
   48    43    45    54   0.12600 -1.0 2.0
   48    43    45    54   0.33350  1.0 3.0
   57    44    52    53   7.00000 -1.0 2.0
   57    44    52    58   7.00000 -1.0 2.0
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
   33    38    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    57    44    52   1.10000 -1.0 2.0
   58    53    52    44   1.10000 -1.0 2.0
   64    77    63    58   4.00000 -1.0 2.0
   65    67    64    63   4.00000 -1.0 2.0
   70    66    65    64   1.10000 -1.0 2.0
   74    75    70    65   4.00000 -1.0 2.0
   77    78    74    70   4.00000 -1.0 2.0
   74    79    77    63   4.00000 -1.0 2.0
END
