* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    253     476
    1     0 S   NP   _N1_     1    29.27283    98.11361   -20.14945
    2     1 S   H    _HN1     2     1.02962    47.52105   138.25851
    3     1 S   H    _H1_     3     1.02799    97.89443  -114.78023
    4     1 S   H    _H2_     4     1.02851    66.71831    -8.21884
    5     1 S   CT   _CA1     5     1.50622   148.14523    84.99147
    6     5 S   HC   _HA1     6     1.09683   104.48507   102.82118
    7     5 S   CO3  _C1_     7     1.54376   110.78714   -12.77827
    8     7 S   O2Z  _O11     8     1.25964   116.81643  -121.79301
    9     7 S   O2Z  _O12     9     1.26619   113.64611    57.14407
   10     5 S   CT   _CB1    10     1.53058   106.89209  -141.18259
   11    10 S   HC   HB11    11     1.09849   109.72847   -41.01673
   12    10 S   HC   HB12    12     1.09777   110.33567    75.59983
   13    10 S   CT   _CG1    13     1.53031   112.54477  -161.58213
   14    13 S   HC   HG11    14     1.09368   111.08519   -60.50076
   15    13 S   HC   HG12    15     1.09617   109.61383    58.67673
   16    13 S   C    _CD1    16     1.51715   112.05094   177.83048
   17    16 S   O    _OE1    17     1.22791   123.06981    -4.97221
   18    16 S   N    _N2_    18     1.38652   111.95865   176.51429
   19    18 S   H    _HN2    19     1.01719   119.35520    -1.85699
   20    18 S   CT1  _CA2    20     1.46119   122.91549   174.37527
   21    20 S   HC   _HA2    21     1.09735   109.19604     0.70997
   22    20 S   C    _C2_    22     1.53656   108.87971  -114.53552
   23    22 S   O    _O2_    23     1.23089   122.16079  -153.81014
   24    20 S   CT   _CB2    32     1.53211   112.18049   122.62580
   25    24 S   HC   HB21    33     1.09255   110.22978    61.65237
   26    24 S   HC   HB22    34     1.09567   110.01783   178.81601
   27    22 S   N    _N3_    24     1.38328   113.85391    33.75011
   28    27 S   H    _HN3    25     1.01574   119.41743    -4.58155
   29    24 S   S    _SG2    35     1.82971   112.13171   -62.71363
   30    27 S   CT   _CA3    26     1.45238   123.32401   177.40060
   31    30 S   HC   HA31    27     1.09551   107.65901   -60.82408
   32    30 S   HC   HA32    28     1.09556   107.81266    55.59263
   33    29 S   CT   _C23    36     1.83988   100.42217   126.85685
   34    33 S   HC   _H3_    37     1.09514   106.04552    48.32299
   35    30 S   CO3  _C3_    29     1.52970   114.08289   177.41919
   36    35 S   O2Z  _O31    30     1.26385   116.13118    -1.09450
   37    35 S   O2Z  _O32    31     1.26447   114.40646   178.85602
   38    33 S   CM   _C10    38     1.53702   111.43845   -73.45396
   39    33 S   CT   _C22    82     1.53102   108.72986   161.83285
   40    39 S   HC   _H47    83     1.09570   112.69232    57.67947
   41    39 S   HC   _H48    84     1.09635   110.85654   -62.99862
   42    39 S   HC   _H49    85     1.09605   110.54902   178.31821
   43    38 S   CMA  _C11    39     1.36909   122.11588   114.44275
   44    43 S   OM   _O21    40     1.26922   124.74391     0.88669
   45    38 S   CT   _C19    78     1.51998   115.16946   -67.48066
   46    45 S   HC   _H38    79     1.09456   110.18547   -66.13052
   47    45 S   HC   _H39    80     1.09243   113.88695   174.21301
   48    45 S   HC   _H40    81     1.09358   111.23210    54.09598
   49    43 S   OS   _O26    41     1.41895   111.42525  -179.13295
   50    49 S   CT   _C16    42     1.44922   119.12723  -175.40735
   51    50 S   HC   _H36    43     1.09804   108.79669   -31.24527
   52    50 S   CT   _C13    44     1.54867   107.44125    86.48645
   53    52 S   HC   _H33    45     1.09906   107.23707   -34.66613
   54    50 S   CT   _C18    64     1.54571   107.90125  -145.45991
   55    52 S   CM   _C6_    46     1.49589   114.17381  -154.00385
   56    54 S   CT   _C21    65     1.54572   113.16586   179.89532
   57    56 S   HC   _H44    66     1.08706   113.33940    76.17034
   58    56 S   HC   _H45    67     1.09643   110.62301   -45.49923
   59    56 S   HC   _H46    68     1.09702   112.49545  -163.94461
   60    55 S   CO4  _C8_    47     1.47491   109.94942  -113.65428
   61    60 S   O    _O23    48     1.21731   127.18185   173.75032
   62    55 S   CM   _C9_    75     1.33607   128.20883    68.12216
   63    62 S   HC   _H30    76     1.08529   120.69937    -0.89983
   64    62 S   HC   _H31    77     1.08490   121.84432   179.07677
   65    60 S   OS   _O24    49     1.36224   106.87914    -4.14685
   66    52 S   CT   _C15    50     1.52730   121.23388    86.65738
   67    66 S   HC   _H35    51     1.10196   106.82443  -147.11206
   68    66 S   CT   _C17    52     1.53472   121.32551   -25.74541
   69    68 S   HC   _H37    53     1.09716   109.22427   -53.70122
   70    68 S   CT   _C14    54     1.55712   117.62897    71.69980
   71    70 S   HC   _H34    55     1.09516   109.77106    48.05188
   72    68 S   OH   _O25    73     1.43952   106.00848  -167.54361
   73    72 S   HO   _H51    74     0.97242   107.74111    64.86873
   74    70 S   CT   _C12    56     1.54242   109.64695   -74.40776
   75    74 S   HC   _H32    57     1.10043   105.49214   -52.04269
   76    70 S   CT   _C20    69     1.54344   109.82627   163.76139
   77    76 S   HC   _H41    70     1.09493   111.14021    61.27167
   78    76 S   HC   _H42    71     1.09495   111.57515   -59.40180
   79    76 S   HC   _H43    72     1.09383   111.53941  -177.45539
   80    74 S   CM   _C5_    58     1.51066   119.80463  -167.16101
   81    80 S   HC   _H29    59     1.08103   123.99203    34.50454
   82    80 S   CM   _C4_    60     1.33616   113.55012  -154.22809
   83    82 S   HC   _H28    61     1.07502   129.18623  -173.81515
   84    82 S   CO4  _C7_    62     1.47461   104.97978     6.75482
   85    84 S   O    _O22    63     1.22113   122.72091  -168.88757
  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  22   8  18   8  18   9  10   4   3   2   8   3   4   1   1
   6   9   4  12   6  13   8   3   1  11   5   4   2   1   1   5
   3   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    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    55    66    74    84    54    56  
   51    52    53    55    60    65    66    67    68    70    74    75    80    82    84    85    54    56    57    58    59    62  
   52    53    55    66    74    84    54    56  
   53    55    60    61    65    66    67    68    69    70    74    84    54    56    72    62    63    64  
   55    60    65    66    67    68    54    62  
   56    57    58    59    76    55    66    68    70    71    74    75    80    81    82    83    84    85  
   60    61    65    66    67    68    62    63    64  
   57    58    59    70    74    75    80    82    84    85  
   58    59    74    84  
   59    74    84  
   74    84  
   61    65    66    67    68    62    63    64  
   65    66    62  
   63    64    65    66  
   64  
    0  
   66    67    68    69    70    72  
   67    68    69    70    71    74    76    72    73  
   68    69    70    72  
   69    70    71    74    75    80    76    77    78    79    72    73  
   70    71    74    76    72    73  
   71    74    75    80    81    82    84    76    77    78    79    72    73  
   74    75    80    76    77    78    79    72  
   73    74    76  
    0  
   75    80    81    82    83    84    85    76    77    78    79  
   80    81    82    84    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84    85  
   82    83    84  
   83    84    85  
   84    85  
   85  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    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    54   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.510
   52    66   268.000  1.529
   55    60   320.000  1.462
   55    62   549.000  1.340
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   68    69   340.000  1.090
   68    70   268.000  1.529
   68    72   320.000  1.410
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    76   268.000  1.529
   74    75   340.000  1.090
   74    80   317.000  1.510
   74    54   268.000  1.529
   80    81   340.000  1.080
   80    82   549.000  1.340
   82    83   340.000  1.080
   82    84   320.000  1.462
   84    85   570.000  1.229
   84    54   317.000  1.522
   54    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   72    73   553.000  0.945
   62    63   340.000  1.080
   62    64   340.000  1.080
   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    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    55    70.00000  112.02700
   50    52    66    58.35000  112.70000
   50    54    74    58.35000  112.70000
   50    54    84    63.00000  111.10000
   50    54    56    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    55    60    65.00000  116.34900
   52    55    62    70.00000  124.00000
   52    66    65    50.00000  109.50000
   52    66    67    37.50000  110.70000
   52    66    68    58.35000  112.70000
   55    52    53    35.00000  109.50000
   55    60    61    80.00000  123.72100
   55    60    65    90.00000  111.29400
   55    62    63    35.00000  120.00000
   55    62    64    35.00000  120.00000
   60    65    66    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    50.00000  109.50000
   66    52    53    37.50000  110.70000
   66    52    55    70.00000  112.02700
   66    68    69    37.50000  110.70000
   66    68    70    58.35000  112.70000
   66    68    72    50.00000  109.50000
   68    66    67    37.50000  110.70000
   68    70    71    37.50000  110.70000
   68    70    74    58.35000  112.70000
   68    70    76    58.35000  112.70000
   68    72    73    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    80    70.00000  112.02700
   70    74    54    58.35000  112.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    70    71    37.50000  110.70000
   74    80    81    35.00000  117.00000
   74    80    82    70.00000  124.00000
   74    54    84    63.00000  111.10000
   74    54    56    58.35000  112.70000
   80    74    75    35.00000  109.50000
   80    82    83    35.00000  120.00000
   80    82    84    65.00000  118.96000
   82    80    81    35.00000  120.00000
   82    84    85    80.00000  123.72100
   82    84    54    65.00000  118.62400
   84    82    83    40.00000  117.72500
   84    54    56    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    74    75    37.50000  110.70000
   54    74    80    70.00000  112.02700
   54    84    85    80.00000  120.40000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   76    70    71    37.50000  110.70000
   76    70    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   72    68    69    35.00000  109.50000
   72    68    70    50.00000  109.50000
   62    55    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   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    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -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    55   0.61850  1.0 1.0
   49    50    52    55  -0.22750 -1.0 2.0
   49    50    52    55   0.15300  1.0 3.0
   49    50    52    66   0.62750  1.0 1.0
   49    50    52    66  -0.30950 -1.0 2.0
   49    50    52    66   0.27300  1.0 3.0
   49    50    54    74   0.62750  1.0 1.0
   49    50    54    74  -0.30950 -1.0 2.0
   49    50    54    74   0.27300  1.0 3.0
   49    50    54    84  -0.09450  1.0 1.0
   49    50    54    84  -1.12950 -1.0 2.0
   49    50    54    84   0.54000  1.0 3.0
   49    50    54    56   0.62750  1.0 1.0
   49    50    54    56  -0.30950 -1.0 2.0
   49    50    54    56   0.27300  1.0 3.0
   50    52    55    60   0.09700  1.0 1.0
   50    52    55    60   0.15600 -1.0 2.0
   50    52    55    60  -0.50800  1.0 3.0
   50    52    55    62   0.09850  1.0 1.0
   50    52    55    62   0.15250 -1.0 2.0
   50    52    55    62  -0.50650  1.0 3.0
   50    52    66    65   0.62750  1.0 1.0
   50    52    66    65  -0.30950 -1.0 2.0
   50    52    66    65   0.27300  1.0 3.0
   50    52    66    67   0.15000  1.0 3.0
   50    52    66    68   0.56750  1.0 1.0
   50    52    66    68  -0.07550 -1.0 2.0
   50    52    66    68   0.20000  1.0 3.0
   50    54    56    57   0.15000  1.0 3.0
   50    54    56    58   0.15000  1.0 3.0
   50    54    56    59   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    52    66   0.15000  1.0 3.0
   51    50    54    74   0.15000  1.0 3.0
   51    50    54    84  -0.11250  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   52    50    54    74   0.56750  1.0 1.0
   52    50    54    74  -0.07550 -1.0 2.0
   52    50    54    74   0.20000  1.0 3.0
   52    50    54    84  -0.95700  1.0 1.0
   52    50    54    84  -0.18200 -1.0 2.0
   52    50    54    84   0.29450  1.0 3.0
   52    50    54    56   0.56750  1.0 1.0
   52    50    54    56  -0.07550 -1.0 2.0
   52    50    54    56   0.20000  1.0 3.0
   52    55    60    61  -0.64400  1.0 1.0
   52    55    60    61   0.26850 -1.0 2.0
   52    55   -60    65  -0.15000  1.0 1.0
   52    55   -60    65   0.89550 -1.0 2.0
   52    55   -60    65  -0.06900  1.0 3.0
   52    55    62    63   7.00000 -1.0 2.0
   52    55    62    64   7.00000 -1.0 2.0
   52    66    68    69   0.15000  1.0 3.0
   52    66    68    70   0.56750  1.0 1.0
   52    66    68    70  -0.07550 -1.0 2.0
   52    66    68    70   0.20000  1.0 3.0
   52    66    68    72   0.86500  1.0 1.0
   52    66    68    72  -0.17500 -1.0 2.0
   52    66    68    72   0.20800  1.0 3.0
   53    52    55    60   0.15000  1.0 3.0
   53    52    55    62   0.00000  1.0 1.0
   53    52    66    65   0.23400  1.0 3.0
   53    52    66    67   0.15000  1.0 3.0
   53    52    66    68   0.15000  1.0 3.0
   55    52   -66    65   0.61850  1.0 1.0
   55    52   -66    65  -0.22750 -1.0 2.0
   55    52   -66    65   0.15300  1.0 3.0
   55    52    66    67   0.15000  1.0 3.0
   55    52    66    68   0.34400  1.0 1.0
   55    52    66    68   0.09450 -1.0 2.0
   55    52    66    68   0.11100  1.0 3.0
   55    60   -65    66   2.00000 -1.0 2.0
   60    55    62    63   7.00000 -1.0 2.0
   60    55    62    64   7.00000 -1.0 2.0
   60    65   -66    52  -0.25900  1.0 1.0
   60    65   -66    52  -0.47000 -1.0 2.0
   60    65   -66    52   0.11750  1.0 3.0
   60    65    66    67   0.08050  1.0 3.0
   60    65    66    68  -0.25900  1.0 1.0
   60    65    66    68  -0.47000 -1.0 2.0
   60    65    66    68   0.11750  1.0 3.0
   61    60    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.62750  1.0 1.0
   65    66    68    70  -0.30950 -1.0 2.0
   65    66    68    70   0.27300  1.0 3.0
   65    66    68    72   3.69350  1.0 1.0
   65    66    68    72  -1.82950 -1.0 2.0
   66    52   -55    60   0.09700  1.0 1.0
   66    52   -55    60   0.15600 -1.0 2.0
   66    52   -55    60  -0.50800  1.0 3.0
   66    52    55    62   0.09850  1.0 1.0
   66    52    55    62   0.15250 -1.0 2.0
   66    52    55    62  -0.50650  1.0 3.0
   66    68    70    71   0.15000  1.0 3.0
   66    68    70    74   0.56750  1.0 1.0
   66    68    70    74  -0.07550 -1.0 2.0
   66    68    70    74   0.20000  1.0 3.0
   66    68    70    76   0.56750  1.0 1.0
   66    68    70    76  -0.07550 -1.0 2.0
   66    68    70    76   0.20000  1.0 3.0
   66    68    72    73  -0.11600  1.0 1.0
   66    68    72    73  -0.09450 -1.0 2.0
   66    68    72    73   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    72   0.23400  1.0 3.0
   68    70    74    75   0.15000  1.0 3.0
   68    70    74    80   0.34400  1.0 1.0
   68    70    74    80   0.09450 -1.0 2.0
   68    70    74    80   0.11100  1.0 3.0
   68    70    74    54   0.56750  1.0 1.0
   68    70    74    54  -0.07550 -1.0 2.0
   68    70    74    54   0.20000  1.0 3.0
   68    70    76    77   0.15000  1.0 3.0
   68    70    76    78   0.15000  1.0 3.0
   68    70    76    79   0.15000  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    74   0.15000  1.0 3.0
   69    68    70    76   0.15000  1.0 3.0
   69    68    72    73   0.19450  1.0 3.0
   70    68    72    73  -0.11600  1.0 1.0
   70    68    72    73  -0.09450 -1.0 2.0
   70    68    72    73   0.21250  1.0 3.0
   70    74    80    81   0.00000  1.0 1.0
   70    74    80    82   0.09850  1.0 1.0
   70    74    80    82   0.15250 -1.0 2.0
   70    74    80    82  -0.50650  1.0 3.0
   70    74    54    50   0.56750  1.0 1.0
   70    74    54    50  -0.07550 -1.0 2.0
   70    74    54    50   0.20000  1.0 3.0
   70    74    54    84  -0.95700  1.0 1.0
   70    74    54    84  -0.18200 -1.0 2.0
   70    74    54    84   0.29450  1.0 3.0
   70    74    54    56   0.56750  1.0 1.0
   70    74    54    56  -0.07550 -1.0 2.0
   70    74    54    56   0.20000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    80   0.15000  1.0 3.0
   71    70    74    54   0.15000  1.0 3.0
   71    70    76    77   0.15000  1.0 3.0
   71    70    76    78   0.15000  1.0 3.0
   71    70    76    79   0.15000  1.0 3.0
   74    70    76    77   0.15000  1.0 3.0
   74    70    76    78   0.15000  1.0 3.0
   74    70    76    79   0.15000  1.0 3.0
   74    80    82    83   7.00000 -1.0 2.0
   74    80   -82    84   7.00000 -1.0 2.0
   74    54    56    57   0.15000  1.0 3.0
   74    54    56    58   0.15000  1.0 3.0
   74    54    56    59   0.15000  1.0 3.0
   75    74    80    81   0.33100  1.0 3.0
   75    74    80    82   0.00000  1.0 1.0
   75    74    54    50   0.15000  1.0 3.0
   75    74    54    84  -0.11250  1.0 3.0
   75    74    54    56   0.15000  1.0 3.0
   80    74    54    50   0.34400  1.0 1.0
   80    74    54    50   0.09450 -1.0 2.0
   80    74    54    50   0.11100  1.0 3.0
   80    74   -54    84  -0.98800  1.0 1.0
   80    74   -54    84   0.48800 -1.0 2.0
   80    74   -54    84   0.76800  1.0 3.0
   80    74    54    56   0.34400  1.0 1.0
   80    74    54    56   0.09450 -1.0 2.0
   80    74    54    56   0.11100  1.0 3.0
   80    82    84    85   1.00000 -1.0 2.0
   80    82   -84    54  -0.33500  1.0 1.0
   80    82   -84    54   1.06600 -1.0 2.0
   80    82   -84    54  -0.14000  1.0 3.0
   81    80    82    83   7.00000 -1.0 2.0
   81    80    82    84   7.00000 -1.0 2.0
   82    84    54    50   0.65300  1.0 1.0
   82    84    54    50  -0.03850 -1.0 2.0
   82    84    54    50   0.33900  1.0 3.0
   82    84   -54    74   0.65300  1.0 1.0
   82    84   -54    74  -0.03850 -1.0 2.0
   82    84   -54    74   0.33900  1.0 3.0
   82    84    54    56   0.65300  1.0 1.0
   82    84    54    56  -0.03850 -1.0 2.0
   82    84    54    56   0.33900  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    54   0.04550  1.0 1.0
   83    82    84    54   0.83000 -1.0 2.0
   83    82    84    54  -0.04000  1.0 3.0
   84    54    56    57  -0.11250  1.0 3.0
   84    54    56    58  -0.11250  1.0 3.0
   84    54    56    59  -0.11250  1.0 3.0
   85    84    54    50   0.30150 -1.0 2.0
   85    84    54    74   0.30150 -1.0 2.0
   85    84    54    56   0.30150 -1.0 2.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    55   0.34400  1.0 1.0
   54    50    52    55   0.09450 -1.0 2.0
   54    50    52    55   0.11100  1.0 3.0
   54    50    52    66   0.56750  1.0 1.0
   54    50    52    66  -0.07550 -1.0 2.0
   54    50    52    66   0.20000  1.0 3.0
   54    74    80    81   0.00000  1.0 1.0
   54    74   -80    82   0.09850  1.0 1.0
   54    74   -80    82   0.15250 -1.0 2.0
   54    74   -80    82  -0.50650  1.0 3.0
   76    70    74    75   0.15000  1.0 3.0
   76    70    74    80   0.34400  1.0 1.0
   76    70    74    80   0.09450 -1.0 2.0
   76    70    74    80   0.11100  1.0 3.0
   76    70    74    54   0.56750  1.0 1.0
   76    70    74    54  -0.07550 -1.0 2.0
   76    70    74    54   0.20000  1.0 3.0
   72    68    70    71   0.23400  1.0 3.0
   72    68    70    74   0.86500  1.0 1.0
   72    68    70    74  -0.17500 -1.0 2.0
   72    68    70    74   0.20800  1.0 3.0
   72    68    70    76   0.86500  1.0 1.0
   72    68    70    76  -0.17500 -1.0 2.0
   72    68    70    76   0.20800  1.0 3.0
   62    55    60    61   1.00000 -1.0 2.0
   62    55    60    65  -0.56150  1.0 1.0
   62    55    60    65   2.19150 -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
   52    60    55    62   1.10000 -1.0 2.0
   55    65    60    61  10.50000 -1.0 2.0
   74    81    80    82   1.10000 -1.0 2.0
   84    83    82    80   1.10000 -1.0 2.0
   82    54    84    85  10.50000 -1.0 2.0
   63    64    62    55   1.10000 -1.0 2.0
END
