* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    161    243     472
    1     0 S   NP   _N1_     1    28.91768    96.16771   -22.17792
    2     1 S   H    _HN1     2     1.02832    40.70539   170.64930
    3     1 S   H    _H1_     3     1.02780    94.20857   -76.60609
    4     1 S   H    _H2_     4     1.02952    75.78548    31.27532
    5     1 S   CT   _CA1     5     1.50099   147.94686   137.11936
    6     5 S   HC   _HA1     6     1.09580   105.20789    81.77364
    7     5 S   CO3  _C1_     7     1.53812   112.42223   -38.37745
    8     7 S   O2Z  _O11     8     1.26366   114.99254   -43.71271
    9     7 S   O2Z  _O12     9     1.26231   114.93441   135.35841
   10     5 S   CT   _CB1    10     1.53102   107.42770  -160.33309
   11    10 S   HC   HB11    11     1.09820   109.40873   -50.70515
   12    10 S   HC   HB12    12     1.09810   110.46607    65.96372
   13    10 S   CT   _CG1    13     1.52891   112.45503  -171.73604
   14    13 S   HC   HG11    14     1.09567   110.33978   -65.01026
   15    13 S   HC   HG12    15     1.09670   109.91414    54.10444
   16    13 S   C    _CD1    16     1.51803   112.55633   174.76239
   17    16 S   O    _OE1    17     1.22695   123.41191     3.31871
   18    16 S   N    _N2_    18     1.38508   111.34760  -176.87839
   19    18 S   H    _HN2    19     1.01551   118.86890     2.06678
   20    18 S   CT1  _CA2    20     1.46197   123.94296  -179.88465
   21    20 S   HC   _HA2    21     1.09719   109.45299    -6.37160
   22    20 S   C    _C2_    22     1.53495   108.57168  -121.95651
   23    22 S   O    _O2_    23     1.23047   122.34525  -151.56940
   24    20 S   CT   _CB2    32     1.53302   110.83327   115.94175
   25    24 S   HC   HB21    33     1.09426   109.43444    51.86132
   26    24 S   HC   HB22    34     1.09480   111.05734   170.66243
   27    22 S   N    _N3_    24     1.38361   113.62870    36.02059
   28    27 S   H    _HN3    25     1.01623   119.41912    -3.44082
   29    24 S   S    _SG2    35     1.82832   111.27935   -70.11221
   30    27 S   CT   _CA3    26     1.45262   123.21226   177.22399
   31    30 S   HC   HA31    27     1.09547   107.50809   -65.16234
   32    30 S   HC   HA32    28     1.09559   107.98878    51.27270
   33    29 S   CT   _C23    36     1.83808    99.83524   153.57349
   34    33 S   HC   _H3_    37     1.09522   106.36065    38.60025
   35    30 S   CO3  _C3_    29     1.52940   114.09511   173.31916
   36    35 S   O2Z  _O31    30     1.26371   116.07254     0.87133
   37    35 S   O2Z  _O32    31     1.26429   114.40668  -179.08743
   38    33 S   CM   _C9_    38     1.53639   110.87100   -82.90448
   39    33 S   CT   _C22    83     1.53045   108.89397   152.46555
   40    39 S   HC   _H49    84     1.09547   112.79660    56.76647
   41    39 S   HC   _H50    85     1.09638   110.78335   -63.83515
   42    39 S   HC   _H51    86     1.09599   110.56495   177.50095
   43    38 S   CMA  _C10    39     1.36843   122.14203   116.58478
   44    43 S   OM   _O21    40     1.26900   125.74679     1.92651
   45    38 S   CT   _C19    79     1.52096   115.46735   -64.29761
   46    45 S   HC   _H40    80     1.09401   110.59220   -57.99159
   47    45 S   HC   _H41    81     1.09338   113.91530  -177.29398
   48    45 S   HC   _H42    82     1.09406   110.91967    62.63169
   49    43 S   OS   _O23    41     1.41681   112.24337   179.47288
   50    49 S   CT   _C16    42     1.44290   114.71020   123.14028
   51    50 S   HC   _H36    43     1.09692   110.79463    39.95205
   52    50 S   CT   _C12    44     1.53109   108.74276   -81.34570
   53    52 S   HC   _H30    45     1.09497   109.82416    62.71200
   54    52 S   HC   _H31    46     1.09816   109.86844   -53.07226
   55    50 S   CT   _C15    61     1.55142   108.00818   158.95607
   56    55 S   HC   _H35    62     1.10105   106.41214    54.57437
   57    52 S   CT   _C11    47     1.51803   111.74699  -175.77497
   58    57 S   HC   _H28    48     1.09679   109.72309   -65.12682
   59    57 S   HC   _H29    49     1.09684   108.77533   179.06707
   60    55 S   CT   _C20    63     1.53983   109.66070   -59.18775
   61    60 S   HC   _H43    64     1.09454   111.55742   -59.80366
   62    60 S   HC   _H44    65     1.09312   111.85539   178.60310
   63    60 S   HC   _H45    66     1.09539   110.90037    59.83119
   64    57 S   CM   _C5_    50     1.50963   111.41219    55.85606
   65    64 S   CM   _C4_    51     1.34362   119.30494   128.73117
   66    65 S   HC   _H25    52     1.08526   121.83713    -2.18355
   67    65 S   CO4  _C6_    53     1.48323   121.90813   174.49829
   68    67 S   O    _O22    54     1.22990   118.87207   177.97416
   69    67 S   CT   _C14    55     1.52355   117.47789    -6.60408
   70    69 S   HC   _H34    56     1.09808   105.74453   -81.19240
   71    69 S   CT   _C13    57     1.53296   109.71856    36.05251
   72    71 S   HC   _H32    58     1.09891   109.02499    64.83309
   73    71 S   HC   _H33    59     1.09717   108.83576  -179.43698
   74    69 S   CM   _C8_    71     1.52012   110.83284   161.26584
   75    64 S   CT   _C17    60     1.53275   116.47712   -52.04222
   76    74 S   CM   _C7_    72     1.34375   120.89127   109.76358
   77    76 S   HC   _H26    73     1.08516   121.45605  -179.81129
   78    76 S   HC   _H27    74     1.08507   121.53974     0.05234
   79    74 S   CT   _C18    75     1.50489   118.63006   -69.85844
   80    79 S   HC   _H37    76     1.09428   110.65801   -68.33103
   81    79 S   HC   _H38    77     1.09430   110.88916    52.31267
   82    79 S   HC   _H39    78     1.09555   111.91824   171.98614
   83    75 S   CT   _C21    67     1.54592   108.28223   -74.69230
   84    83 S   HC   _H46    68     1.09535   111.49720  -170.54373
   85    83 S   HC   _H47    69     1.09472   112.12688    68.96145
   86    83 S   HC   _H48    70     1.09599   111.73827   -50.81949
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  11   6   5  17   8   9   4   3   7   3   2   1  13
   9   4  10   4  14   7  10   4   3   8   4   6   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    75    55    56    60  
   51    52    53    54    57    58    59    64    71    75    55    56    60    61    62    63    83  
   52    53    54    57    75    55    56    60  
   53    54    57    58    59    64    65    75    55    56    60  
   54    57    58    59    64    55  
   57    58    59    64    55  
   56    60    61    62    63    83    84    85    86    57    64    65    69    71    72    73    75  
   60    61    62    63    83    64    71    75  
   58    59    64    65    66    67    71    75    83  
   59    64    65    75  
   64    65    75  
   61    62    63    83    64    71    75  
   62    63    75  
   63    75  
   75  
   65    66    67    68    69    71    72    73    75    83    84    85    86  
   66    67    68    69    70    71    75    83    74  
   67    68    69    75  
   68    69    70    71    72    73    75    74    76    79  
   69    70    71    74  
   70    71    72    73    75    83    74    76    77    78    79    80    81    82  
   71    72    73    75    74    76    79  
   72    73    75    83    84    85    86    74    76    79  
   73    75    83    74  
   75    83    74  
   76    77    78    79    80    81    82    75  
   83    84    85    86  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    64   317.000  1.510
   64    65   549.000  1.340
   64    75   317.000  1.510
   65    66   340.000  1.080
   65    67   320.000  1.462
   67    68   570.000  1.229
   67    69   317.000  1.522
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    55   268.000  1.529
   75    83   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   74    76   549.000  1.340
   74    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    75    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    64    70.00000  112.02700
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    64    65    70.00000  124.00000
   57    64    75    65.00000  117.92700
   59    57    58    33.00000  107.80000
   64    57    58    35.00000  109.50000
   64    57    59    35.00000  109.50000
   64    65    66    35.00000  120.00000
   64    65    67    65.00000  118.96000
   64    75    71    70.00000  112.02700
   64    75    55    70.00000  112.02700
   64    75    83    70.00000  112.02700
   65    67    68    80.00000  123.72100
   65    67    69    65.00000  118.62400
   67    65    66    40.00000  117.72500
   67    69    70    35.00000  109.50000
   67    69    71    63.00000  111.10000
   67    69    74    70.00000  109.06800
   69    67    68    80.00000  120.40000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    75    58.35000  112.70000
   69    74    76    70.00000  124.00000
   69    74    79    65.00000  117.92700
   71    69    70    37.50000  110.70000
   71    75    55    58.35000  112.70000
   71    75    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   75    64    65    70.00000  124.00000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    55    56    37.50000  110.70000
   75    55    60    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   60    55    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   83    75    55    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    70.00000  112.02700
   74    76    77    35.00000  120.00000
   74    76    78    35.00000  120.00000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    74    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    75   0.62750  1.0 1.0
   49    50    55    75  -0.30950 -1.0 2.0
   49    50    55    75   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    60   0.62750  1.0 1.0
   49    50    55    60  -0.30950 -1.0 2.0
   49    50    55    60   0.27300  1.0 3.0
   50    52    57    58   0.15000  1.0 3.0
   50    52    57    59   0.15000  1.0 3.0
   50    52    57    64   0.34400  1.0 1.0
   50    52    57    64   0.09450 -1.0 2.0
   50    52    57    64   0.11100  1.0 3.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    63   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    75   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    75   0.56750  1.0 1.0
   52    50    55    75  -0.07550 -1.0 2.0
   52    50    55    75   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    60   0.56750  1.0 1.0
   52    50    55    60  -0.07550 -1.0 2.0
   52    50    55    60   0.20000  1.0 3.0
   52    57    64    65   0.09850  1.0 1.0
   52    57    64    65   0.15250 -1.0 2.0
   52    57    64    65  -0.50650  1.0 3.0
   52    57   -64    75   0.46850  1.0 1.0
   52    57   -64    75   0.08550 -1.0 2.0
   52    57   -64    75   0.09800  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    64   0.15000  1.0 3.0
   54    52    57    58   0.15000  1.0 3.0
   54    52    57    59   0.15000  1.0 3.0
   54    52    57    64   0.15000  1.0 3.0
   57    64    65    66   7.00000 -1.0 2.0
   57    64    65    67   7.00000 -1.0 2.0
   57    64    75    71   0.46850  1.0 1.0
   57    64    75    71   0.08550 -1.0 2.0
   57    64    75    71   0.09800  1.0 3.0
   57    64    75    55   0.46850  1.0 1.0
   57    64    75    55   0.08550 -1.0 2.0
   57    64    75    55   0.09800  1.0 3.0
   57    64    75    83   0.46850  1.0 1.0
   57    64    75    83   0.08550 -1.0 2.0
   57    64    75    83   0.09800  1.0 3.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    75   0.34800  1.0 3.0
   59    57    64    65   0.00000  1.0 1.0
   59    57    64    75   0.34800  1.0 3.0
   64    65    67    68   1.00000 -1.0 2.0
   64    65    67    69  -0.33500  1.0 1.0
   64    65    67    69   1.06600 -1.0 2.0
   64    65    67    69  -0.14000  1.0 3.0
   64    75   -55    50   0.34400  1.0 1.0
   64    75   -55    50   0.09450 -1.0 2.0
   64    75   -55    50   0.11100  1.0 3.0
   64    75    55    56   0.15000  1.0 3.0
   64    75    55    60   0.34400  1.0 1.0
   64    75    55    60   0.09450 -1.0 2.0
   64    75    55    60   0.11100  1.0 3.0
   64    75    83    84   0.15000  1.0 3.0
   64    75    83    85   0.15000  1.0 3.0
   64    75    83    86   0.15000  1.0 3.0
   65    64    75    71   0.09850  1.0 1.0
   65    64    75    71   0.15250 -1.0 2.0
   65    64    75    71  -0.50650  1.0 3.0
   65    64    75    55   0.09850  1.0 1.0
   65    64    75    55   0.15250 -1.0 2.0
   65    64    75    55  -0.50650  1.0 3.0
   65    64    75    83   0.09850  1.0 1.0
   65    64    75    83   0.15250 -1.0 2.0
   65    64    75    83  -0.50650  1.0 3.0
   65    67    69    70   0.00000  1.0 1.0
   65    67   -69    71   0.65300  1.0 1.0
   65    67   -69    71  -0.03850 -1.0 2.0
   65    67   -69    71   0.33900  1.0 3.0
   65    67    69    74   0.65300  1.0 1.0
   65    67    69    74  -0.03850 -1.0 2.0
   65    67    69    74   0.33900  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69   0.04550  1.0 1.0
   66    65    67    69   0.83000 -1.0 2.0
   66    65    67    69  -0.04000  1.0 3.0
   67    69    71    72  -0.11250  1.0 3.0
   67    69    71    73  -0.11250  1.0 3.0
   67    69    71    75  -0.95700  1.0 1.0
   67    69    71    75  -0.18200 -1.0 2.0
   67    69    71    75   0.29450  1.0 3.0
   67    69    74    76  -0.51250  1.0 1.0
   67    69    74    76  -0.88800 -1.0 2.0
   67    69    74    76   0.08850  1.0 3.0
   67    69    74    79   0.17250  1.0 1.0
   67    69    74    79  -0.04100 -1.0 2.0
   67    69    74    79  -0.33850  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.30150 -1.0 2.0
   68    67    69    74   0.30150 -1.0 2.0
   69    71   -75    64   0.34400  1.0 1.0
   69    71   -75    64   0.09450 -1.0 2.0
   69    71   -75    64   0.11100  1.0 3.0
   69    71    75    55   0.56750  1.0 1.0
   69    71    75    55  -0.07550 -1.0 2.0
   69    71    75    55   0.20000  1.0 3.0
   69    71    75    83   0.56750  1.0 1.0
   69    71    75    83  -0.07550 -1.0 2.0
   69    71    75    83   0.20000  1.0 3.0
   69    74    76    77   7.00000 -1.0 2.0
   69    74    76    78   7.00000 -1.0 2.0
   69    74    79    80   0.34800  1.0 3.0
   69    74    79    81   0.34800  1.0 3.0
   69    74    79    82   0.34800  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    75   0.15000  1.0 3.0
   70    69    74    76   0.00000  1.0 1.0
   70    69    74    79   0.34800  1.0 3.0
   71    69    74    76   0.09850  1.0 1.0
   71    69    74    76   0.15250 -1.0 2.0
   71    69    74    76  -0.50650  1.0 3.0
   71    69    74    79   0.46850  1.0 1.0
   71    69    74    79   0.08550 -1.0 2.0
   71    69    74    79   0.09800  1.0 3.0
   71    75    55    50   0.56750  1.0 1.0
   71    75    55    50  -0.07550 -1.0 2.0
   71    75    55    50   0.20000  1.0 3.0
   71    75    55    56   0.15000  1.0 3.0
   71    75    55    60   0.56750  1.0 1.0
   71    75    55    60  -0.07550 -1.0 2.0
   71    75    55    60   0.20000  1.0 3.0
   71    75    83    84   0.15000  1.0 3.0
   71    75    83    85   0.15000  1.0 3.0
   71    75    83    86   0.15000  1.0 3.0
   72    71    75    64   0.15000  1.0 3.0
   72    71    75    55   0.15000  1.0 3.0
   72    71    75    83   0.15000  1.0 3.0
   73    71    75    64   0.15000  1.0 3.0
   73    71    75    55   0.15000  1.0 3.0
   73    71    75    83   0.15000  1.0 3.0
   75    64    65    66   7.00000 -1.0 2.0
   75    64   -65    67   7.00000 -1.0 2.0
   75    55    60    61   0.15000  1.0 3.0
   75    55    60    62   0.15000  1.0 3.0
   75    55    60    63   0.15000  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50   -52    57   0.56750  1.0 1.0
   55    50   -52    57  -0.07550 -1.0 2.0
   55    50   -52    57   0.20000  1.0 3.0
   55    75    83    84   0.15000  1.0 3.0
   55    75    83    85   0.15000  1.0 3.0
   55    75    83    86   0.15000  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    63   0.15000  1.0 3.0
   83    75    55    50   0.56750  1.0 1.0
   83    75    55    50  -0.07550 -1.0 2.0
   83    75    55    50   0.20000  1.0 3.0
   83    75    55    56   0.15000  1.0 3.0
   83    75    55    60   0.56750  1.0 1.0
   83    75    55    60  -0.07550 -1.0 2.0
   83    75    55    60   0.20000  1.0 3.0
   74    69    71    72   0.15000  1.0 3.0
   74    69    71    73   0.15000  1.0 3.0
   74    69    71    75   0.34400  1.0 1.0
   74    69    71    75   0.09450 -1.0 2.0
   74    69    71    75   0.11100  1.0 3.0
   76    74    79    80   0.00000  1.0 1.0
   76    74    79    81   0.00000  1.0 1.0
   76    74    79    82   0.00000  1.0 1.0
   79    74    76    77   7.00000 -1.0 2.0
   79    74    76    78   7.00000 -1.0 2.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    75    64    65   1.10000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   65    69    67    68  10.50000 -1.0 2.0
   69    79    74    76  15.00000 -1.0 2.0
   77    78    76    74  15.00000 -1.0 2.0
END
