* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    253     476
    1     0 S   NP   _N1_     1    28.74522    94.34311   -20.70344
    2     1 S   H    _HN1     2     1.02963    93.59504    32.36367
    3     1 S   H    _H1_     3     1.02837    30.41718   150.56289
    4     1 S   H    _H2_     4     1.02776    87.26323   -75.85325
    5     1 S   CT   _CA1     5     1.50119   140.81120   161.35872
    6     5 S   HC   _HA1     6     1.09571   105.26177    53.31742
    7     5 S   CO3  _C1_     7     1.53818   112.34421   -66.96949
    8     7 S   O2Z  _O11     8     1.26358   114.98334   -43.63156
    9     7 S   O2Z  _O12     9     1.26240   114.91884   135.51823
   10     5 S   CT   _CB1    10     1.53081   107.42876   171.30403
   11    10 S   HC   HB11    11     1.09821   109.43920   -50.07870
   12    10 S   HC   HB12    12     1.09832   110.35927    66.50478
   13    10 S   CT   _CG1    13     1.53002   112.66202  -171.19864
   14    13 S   HC   HG11    14     1.09591   110.33069   -61.22424
   15    13 S   HC   HG12    15     1.09629   110.14987    58.00961
   16    13 S   C    _CD1    16     1.51791   112.18458   178.33282
   17    16 S   O    _OE1    17     1.22728   123.21446    -8.74644
   18    16 S   N    _N2_    18     1.38605   111.65445   171.48295
   19    18 S   H    _HN2    19     1.01585   119.03299     1.82681
   20    18 S   CT1  _CA2    20     1.46302   123.40445  -176.53299
   21    20 S   HC   _HA2    21     1.09729   109.37003   -14.28275
   22    20 S   C    _C2_    22     1.53359   108.39143  -130.12735
   23    22 S   O    _O2_    23     1.23006   122.29171  -145.90261
   24    20 S   CT   _CB2    32     1.53478   111.11664   107.69507
   25    24 S   HC   HB21    33     1.09578   109.45544    55.71649
   26    24 S   HC   HB22    34     1.09492   110.80582   174.52672
   27    22 S   N    _N3_    24     1.38527   113.32422    41.49539
   28    27 S   H    _HN3    25     1.01531   118.89520    -0.58950
   29    24 S   S    _SG2    35     1.82782   111.41056   -65.62361
   30    27 S   CT   _CA3    26     1.45447   123.42344   175.07483
   31    30 S   HC   HA31    27     1.09526   109.20149    25.06606
   32    30 S   HC   HA32    28     1.09495   107.13089   142.06722
   33    29 S   CT   _C12    36     1.83455    99.62392   153.46578
   34    33 S   HC   _H3_    37     1.09462   111.00335   -38.08383
   35    30 S   CO3  _C3_    29     1.52928   113.13784   -98.38332
   36    35 S   O2Z  _O31    30     1.26401   115.41517   -44.17944
   37    35 S   O2Z  _O32    31     1.26357   114.97437   136.75544
   38    33 S   CM   _C4_    38     1.49547   108.08663    84.24402
   39    38 S   HC   _H28    39     1.08360   123.48880   -44.05063
   40    38 S   CMA  _C5_    40     1.34337   113.54617   136.75225
   41    40 S   OM   _O21    41     1.25828   132.84799   179.15884
   42    40 S   CT   _C19    42     1.56013   109.59958     3.67312
   43    33 S   CT   _C14    43     1.55005   112.96940  -164.23273
   44    43 S   HC   _H34    44     1.10106   105.50473   -32.88960
   45    42 S   CT   _C17    60     1.56715   113.92853  -141.56087
   46    45 S   HC   _H37    61     1.09820   107.38829   -51.50499
   47    42 S   CT   _C23    82     1.54940   105.22922    94.77561
   48    47 S   HC   _H48    83     1.08670   113.37288  -165.46723
   49    47 S   HC   _H49    84     1.09650   111.03019    73.45887
   50    47 S   HC   _H50    85     1.09711   112.07626   -45.97335
   51    43 S   CT   _C15    45     1.55554   117.85123    84.43904
   52    51 S   HC   _H35    46     1.09432   110.16126    74.95339
   53    45 S   OS   _O26    62     1.45833   107.97906    63.88738
   54    51 S   CT   _C18    47     1.55640   110.05963  -164.47603
   55    54 S   HC   _H38    48     1.09664   109.58327    47.49502
   56    53 S   CO4  _C11    63     1.35762   118.55206  -143.20178
   57    56 S   O    _O23    64     1.22112   127.00322    -3.46408
   58    51 S   CT   _C22    78     1.54125   112.70878   -41.10973
   59    58 S   HC   _H45    79     1.09460   111.47031   -63.09489
   60    58 S   HC   _H46    80     1.09550   111.38302   176.56784
   61    58 S   HC   _H47    81     1.09373   111.44831    59.36857
   62    54 S   CT   _C16    49     1.53232   116.80387   -77.85528
   63    62 S   HC   _H36    50     1.10160   106.30963  -166.53539
   64    56 S   CM   _C10    65     1.48578   108.37735   177.84787
   65    54 S   OH   _O25    76     1.43852   108.51140   162.60917
   66    65 S   HO   _H51    77     0.97218   107.94019  -168.93053
   67    62 S   CT   _C13    51     1.52314   120.70650    71.44345
   68    67 S   HC   _H33    52     1.09991   105.63185    98.59282
   69    64 S   CM   _C9_    66     1.34480   120.57236  -138.02760
   70    69 S   HC   _H31    67     1.08915   117.81475  -177.78725
   71    64 S   CT   _C21    72     1.50059   117.00383    44.06253
   72    71 S   HC   _H42    73     1.09494   110.67978   -71.29818
   73    71 S   HC   _H43    74     1.09522   110.44831    48.92534
   74    71 S   HC   _H44    75     1.09521   111.95437   168.56468
   75    67 S   CM   _C6_    53     1.49460   100.27582  -149.88648
   76    69 S   CT   _C20    68     1.49584   128.20650     4.21547
   77    76 S   HC   _H39    69     1.09399   109.99646  -108.48689
   78    76 S   HC   _H40    70     1.09509   109.32564   132.99837
   79    76 S   HC   _H41    71     1.09244   113.50372    13.72031
   80    75 S   CO4  _C7_    54     1.47450   109.92715    15.87870
   81    80 S   O    _O22    55     1.21731   127.16436   174.63988
   82    75 S   CM   _C8_    57     1.33615   128.18815  -162.47504
   83    82 S   HC   _H29    58     1.08528   120.73485    -0.87760
   84    82 S   HC   _H30    59     1.08498   121.81394   179.20475
   85    62 S   OS   _O24    56     1.44268   110.61598   -54.32273
  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
  14   7   2   1   1   9   4  13   4  18  19   6  19   7   6   2
   1   1  13   8   9  14   7  10   3   5   2   1   1  10   6  10
   3   1   8   4   9   5   4   2   1   1   6   3   2   1   1   5
   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    67    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    67    68    75    45    46    53    56    58    47    48    49    50  
   44    51    52    54    55    62    67    45    46    53    65    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    56    57    64    47    48    49    50    51    54    62    63    67    68    75    80    82    85  
   53    56    47    62    67    68    75  
   48    49    50    51    53    67  
   49    50  
   50  
    0  
   52    54    55    62    63    67    85    65    66    58    59    60    61  
   54    55    62    65    58    59    60    61  
   56    57    64    69    71    62    67    68    75  
   55    62    63    67    68    75    80    85    65    66    58    59    60    61  
   62    63    67    85    65    66    58  
   57    64    69    70    76    71    72    73    74    67  
   64    69    71  
   59    60    61    62    65  
   60    61  
   61  
    0  
   63    67    68    75    80    81    85    82    65    66  
   67    68    75    80    85    65  
   69    70    76    77    78    79    71    72    73    74  
   66    67    85  
    0  
   68    75    80    81    85    82    83    84  
   75    80    85    82  
   70    76    77    78    79    71    72    73    74  
   76    77    78    79    71  
   72    73    74    76  
   73    74  
   74  
    0  
   80    81    85    82    83    84  
   77    78    79  
   78    79  
   79  
    0  
   81    85    82    83    84  
   85    82  
   83    84    85  
   84  
    0  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    58   268.000  1.529
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    85   320.000  1.410
   67    68   340.000  1.090
   67    75   317.000  1.510
   67    45   268.000  1.529
   75    80   320.000  1.462
   75    82   549.000  1.340
   80    81   570.000  1.229
   80    85   214.000  1.327
   82    83   340.000  1.080
   82    84   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    56   214.000  1.327
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    69   549.000  1.340
   64    71   317.000  1.510
   69    70   340.000  1.080
   69    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    67    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    58.35000  112.70000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    62    58.35000  112.70000
   51    54    65    50.00000  109.50000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    67    58.35000  112.70000
   54    62    85    50.00000  109.50000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    75    70.00000  112.02700
   62    67    45    58.35000  112.70000
   62    85    80    83.00000  116.90000
   67    62    63    37.50000  110.70000
   67    75    80    65.00000  116.34900
   67    75    82    70.00000  124.00000
   67    45    46    37.50000  110.70000
   67    45    53    50.00000  109.50000
   75    67    68    35.00000  109.50000
   75    80    81    80.00000  123.72100
   75    80    85    90.00000  111.29400
   75    82    83    35.00000  120.00000
   75    82    84    35.00000  120.00000
   85    62    63    35.00000  109.50000
   85    62    67    50.00000  109.50000
   85    80    81    83.00000  123.40000
   82    75    80    65.00000  118.96000
   84    82    83    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    67    68    37.50000  110.70000
   45    67    75    70.00000  112.02700
   45    53    56    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    56    57    83.00000  123.40000
   53    56    64    90.00000  111.29400
   56    64    69    65.00000  118.96000
   56    64    71    65.00000  116.34900
   64    56    57    80.00000  123.72100
   64    69    70    35.00000  120.00000
   64    69    76    70.00000  124.00000
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    35.00000  109.50000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    35.00000  117.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   71    64    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   58    51    52    37.50000  110.70000
   58    51    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54   0.56750  1.0 1.0
   33    43    51    54  -0.07550 -1.0 2.0
   33    43    51    54   0.20000  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    67   0.34400  1.0 1.0
   40    42    45    67   0.09450 -1.0 2.0
   40    42    45    67   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54   0.56750  1.0 1.0
   42    43    51    54  -0.07550 -1.0 2.0
   42    43    51    54   0.20000  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    56  -0.25900  1.0 1.0
   42    45    53    56  -0.47000 -1.0 2.0
   42    45    53    56   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    67   0.56750  1.0 1.0
   43    42    45    67  -0.07550 -1.0 2.0
   43    42    45    67   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.15000  1.0 3.0
   43    51    54    62   0.56750  1.0 1.0
   43    51    54    62  -0.07550 -1.0 2.0
   43    51    54    62   0.20000  1.0 3.0
   43    51    54    65   0.86500  1.0 1.0
   43    51    54    65  -0.17500 -1.0 2.0
   43    51    54    65   0.20800  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54   0.15000  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.15000  1.0 3.0
   51    54    62    67   0.56750  1.0 1.0
   51    54    62    67  -0.07550 -1.0 2.0
   51    54    62    67   0.20000  1.0 3.0
   51    54    62    85   0.62750  1.0 1.0
   51    54    62    85  -0.30950 -1.0 2.0
   51    54    62    85   0.27300  1.0 3.0
   51    54    65    66  -0.11600  1.0 1.0
   51    54    65    66  -0.09450 -1.0 2.0
   51    54    65    66   0.21250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    62   0.15000  1.0 3.0
   52    51    54    65   0.23400  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59   0.15000  1.0 3.0
   54    51    58    60   0.15000  1.0 3.0
   54    51    58    61   0.15000  1.0 3.0
   54    62    67    68   0.15000  1.0 3.0
   54    62    67    75   0.34400  1.0 1.0
   54    62    67    75   0.09450 -1.0 2.0
   54    62    67    75   0.11100  1.0 3.0
   54    62    67    45   0.56750  1.0 1.0
   54    62    67    45  -0.07550 -1.0 2.0
   54    62    67    45   0.20000  1.0 3.0
   54    62    85    80  -0.25900  1.0 1.0
   54    62    85    80  -0.47000 -1.0 2.0
   54    62    85    80   0.11750  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    67   0.15000  1.0 3.0
   55    54    62    85   0.23400  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   62    67   -75    80   0.09700  1.0 1.0
   62    67   -75    80   0.15600 -1.0 2.0
   62    67   -75    80  -0.50800  1.0 3.0
   62    67    75    82   0.09850  1.0 1.0
   62    67    75    82   0.15250 -1.0 2.0
   62    67    75    82  -0.50650  1.0 3.0
   62    67    45    42   0.56750  1.0 1.0
   62    67    45    42  -0.07550 -1.0 2.0
   62    67    45    42   0.20000  1.0 3.0
   62    67    45    46   0.15000  1.0 3.0
   62    67    45    53   0.62750  1.0 1.0
   62    67    45    53  -0.30950 -1.0 2.0
   62    67    45    53   0.27300  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    75   0.15000  1.0 3.0
   63    62    67    45   0.15000  1.0 3.0
   63    62    85    80   0.08050  1.0 3.0
   67    62   -85    80  -0.25900  1.0 1.0
   67    62   -85    80  -0.47000 -1.0 2.0
   67    62   -85    80   0.11750  1.0 3.0
   67    75    80    81  -0.64400  1.0 1.0
   67    75    80    81   0.26850 -1.0 2.0
   67    75   -80    85  -0.15000  1.0 1.0
   67    75   -80    85   0.89550 -1.0 2.0
   67    75   -80    85  -0.06900  1.0 3.0
   67    75    82    83   7.00000 -1.0 2.0
   67    75    82    84   7.00000 -1.0 2.0
   67    45    53    56  -0.25900  1.0 1.0
   67    45    53    56  -0.47000 -1.0 2.0
   67    45    53    56   0.11750  1.0 3.0
   68    67    75    80   0.15000  1.0 3.0
   68    67    75    82   0.00000  1.0 1.0
   68    67    45    42   0.15000  1.0 3.0
   68    67    45    46   0.15000  1.0 3.0
   68    67    45    53   0.23400  1.0 3.0
   75    67    45    42   0.34400  1.0 1.0
   75    67    45    42   0.09450 -1.0 2.0
   75    67    45    42   0.11100  1.0 3.0
   75    67    45    46   0.15000  1.0 3.0
   75    67    45    53   0.61850  1.0 1.0
   75    67    45    53  -0.22750 -1.0 2.0
   75    67    45    53   0.15300  1.0 3.0
   75    80   -85    62   2.00000 -1.0 2.0
   80    75    82    83   7.00000 -1.0 2.0
   80    75    82    84   7.00000 -1.0 2.0
   81    80    85    62   3.00000 -1.0 2.0
   85    62    67    68   0.23400  1.0 3.0
   85    62   -67    75   0.61850  1.0 1.0
   85    62   -67    75  -0.22750 -1.0 2.0
   85    62   -67    75   0.15300  1.0 3.0
   85    62    67    45   0.62750  1.0 1.0
   85    62    67    45  -0.30950 -1.0 2.0
   85    62    67    45   0.27300  1.0 3.0
   82    75    80    81   1.00000 -1.0 2.0
   82    75    80    85  -0.56150  1.0 1.0
   82    75    80    85   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    67    75    80   0.09700  1.0 1.0
   45    67    75    80   0.15600 -1.0 2.0
   45    67    75    80  -0.50800  1.0 3.0
   45    67    75    82   0.09850  1.0 1.0
   45    67    75    82   0.15250 -1.0 2.0
   45    67    75    82  -0.50650  1.0 3.0
   45    53    56    57   3.00000 -1.0 2.0
   45    53    56    64   2.00000 -1.0 2.0
   46    45    53    56   0.08050  1.0 3.0
   53    56    64    69  -0.56150  1.0 1.0
   53    56    64    69   2.19150 -1.0 2.0
   53    56    64    71  -0.15000  1.0 1.0
   53    56    64    71   0.89550 -1.0 2.0
   53    56    64    71  -0.06900  1.0 3.0
   56    64    69    70   7.00000 -1.0 2.0
   56    64    69    76   7.00000 -1.0 2.0
   56    64    71    72   0.15000  1.0 3.0
   56    64    71    73   0.15000  1.0 3.0
   56    64    71    74   0.15000  1.0 3.0
   57    56    64    69   1.00000 -1.0 2.0
   57    56    64    71  -0.64400  1.0 1.0
   57    56    64    71   0.26850 -1.0 2.0
   64    69    76    77   0.00000  1.0 1.0
   64    69    76    78   0.00000  1.0 1.0
   64    69    76    79   0.00000  1.0 1.0
   69    64    71    72   0.00000  1.0 1.0
   69    64    71    73   0.00000  1.0 1.0
   69    64    71    74   0.00000  1.0 1.0
   70    69    76    77   0.33100  1.0 3.0
   70    69    76    78   0.33100  1.0 3.0
   70    69    76    79   0.33100  1.0 3.0
   71    64    69    70   7.00000 -1.0 2.0
   71    64    69    76   7.00000 -1.0 2.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    67   0.86500  1.0 1.0
   65    54    62    67  -0.17500 -1.0 2.0
   65    54    62    67   0.20800  1.0 3.0
   65    54    62    85   3.69350  1.0 1.0
   65    54    62    85  -1.82950 -1.0 2.0
   58    51    54    55   0.15000  1.0 3.0
   58    51    54    62   0.56750  1.0 1.0
   58    51    54    62  -0.07550 -1.0 2.0
   58    51    54    62   0.20000  1.0 3.0
   58    51    54    65   0.86500  1.0 1.0
   58    51    54    65  -0.17500 -1.0 2.0
   58    51    54    65   0.20800  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    67   0.56750  1.0 1.0
   47    42    45    67  -0.07550 -1.0 2.0
   47    42    45    67   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   67    80    75    82   1.10000 -1.0 2.0
   75    85    80    81  10.50000 -1.0 2.0
   83    84    82    75   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   56    71    64    69  15.00000 -1.0 2.0
   76    70    69    64  15.00000 -1.0 2.0
END
