* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    148    246     445
    1     0 S   NP   _N1_     1    28.57307    99.28206   -24.48718
    2     1 S   H    _HN1     2     1.02953    62.94921   -11.90281
    3     1 S   H    _H1_     3     1.02834    44.39561   161.90454
    4     1 S   H    _H2_     4     1.02777   117.01315  -109.70985
    5     1 S   CT   _CA1     5     1.50174   129.76434    82.94195
    6     5 S   HC   _HA1     6     1.09574   105.18135   106.66088
    7     5 S   CO3  _C1_     7     1.53779   112.08756   -13.48465
    8     7 S   O2Z  _O11     8     1.26380   114.99122   -48.18907
    9     7 S   O2Z  _O12     9     1.26205   114.92088   130.44635
   10     5 S   CT   _CB1    10     1.53052   107.35722  -135.49530
   11    10 S   HC   HB11    11     1.09839   109.38046   -49.40265
   12    10 S   HC   HB12    12     1.09810   110.46349    67.14640
   13    10 S   CT   _CG1    13     1.53048   112.68206  -170.33781
   14    13 S   HC   HG11    14     1.09585   110.65776   -64.95560
   15    13 S   HC   HG12    15     1.09658   109.83519    54.29476
   16    13 S   C    _CD1    16     1.51854   111.94781   174.75798
   17    16 S   O    _OE1    17     1.22808   123.19783     8.16671
   18    16 S   N    _N2_    18     1.38429   111.96934  -172.05606
   19    18 S   H    _HN2    19     1.01787   119.44593     0.98497
   20    18 S   CT1  _CA2    20     1.45870   122.80740   179.20475
   21    20 S   HC   _HA2    21     1.09740   108.58164    32.59911
   22    20 S   C    _C2_    22     1.53014   107.36516   -84.62076
   23    22 S   O    _O2_    23     1.22982   123.20478   -26.88377
   24    20 S   CT   _CB2    32     1.53235   112.02342   155.70864
   25    24 S   HC   HB21    33     1.09392   109.25049    56.85957
   26    24 S   HC   HB22    34     1.09551   110.23130   175.08665
   27    22 S   N    _N3_    24     1.38566   112.52090   155.54737
   28    27 S   H    _HN3    25     1.01648   120.31148    -1.60340
   29    24 S   S    _SG2    35     1.83327   110.61387   -65.60726
   30    27 S   CT   _CA3    26     1.45338   122.41778   178.76235
   31    30 S   HC   HA31    27     1.09569   107.66336   -58.56289
   32    30 S   HC   HA32    28     1.09567   107.72415    57.72627
   33    29 S   CT   _C20    36     1.88352   103.13891   158.23875
   34    33 S   OM   _O38    37     1.32260   111.98278    28.45382
   35    30 S   CO3  _C3_    29     1.52876   114.42695   179.57204
   36    35 S   O2Z  _O31    30     1.26326   116.12639    -1.45172
   37    35 S   O2Z  _O32    31     1.26456   114.39244   178.58100
   38    33 S   CM   _C21    38     1.53388   107.20291   -92.51241
   39    33 S   CT   _C19    70     1.58016   109.25442   146.25303
   40    39 S   HC   _H4_    71     1.10094   108.54307  -163.09304
   41    38 S   CMA  _C23    39     1.36312   126.53086  -109.55393
   42    41 S   OM   _O37    40     1.26973   129.94702   177.08040
   43    39 S   NT   _N5_    72     1.47726   112.68419   -47.19932
   44    43 S   H    _H16    73     1.02041   107.86303   -44.58707
   45    43 S   H    _H17    74     1.01833   109.43492  -159.73437
   46    38 S   C    _C22    77     1.50592   118.68949    68.61600
   47    46 S   O    _O36    78     1.22706   122.65126   -83.63093
   48    41 S   CT   _C16    41     1.55298   118.68445    -1.66036
   49    46 S   N    _N4_    79     1.37497   112.98965    97.13588
   50    49 S   H    _H14    80     1.01419   121.55418    -0.25256
   51    49 S   H    _H15    81     1.01231   120.70634   179.35715
   52    48 S   CO4  _C15    42     1.54611   110.77180   -99.62584
   53    52 S   O    _O35    43     1.23042   122.24267   -20.12087
   54    48 S   OH   _O39    75     1.43801   110.96134   144.12888
   55    54 S   HO   _H18    76     0.97478   105.98488    34.67011
   56    52 S   CA   _C7_    44     1.50458   119.12168   161.15187
   57    56 S   CA   _C6_    45     1.39671   120.05386    -7.01560
   58    57 S   CA   _C5_    46     1.42739   119.47061   177.52591
   59    57 S   CT   _C18    65     1.51323   120.27260    -0.01978
   60    59 S   HC   _H12    66     1.09833   107.44748    98.05597
   61    59 S   HC   _H13    67     1.09495   110.47462  -146.44992
   62    58 S   CA   _C10    47     1.45090   121.80934     9.07515
   63    58 S   CT   _C4_    61     1.51786   117.39333  -169.07652
   64    63 S   HC   _H5_    62     1.09346   110.65323   -97.32678
   65    63 S   HC   _H6_    63     1.09388   112.69059    23.85021
   66    63 S   HC   _H7_    64     1.09375   110.75483   138.51467
   67    48 S   CT   _C17    68     1.53759   112.94018    23.54148
   68    67 S   HC   _H3_    69     1.10004   108.69411    65.14042
   69    62 S   CA   _C9_    48     1.42816   117.11196   -10.45933
   70    69 S   CA   _C14    49     1.43037   118.61773  -174.87738
   71    56 S   CA   _C8_    58     1.40782   120.98940   172.86576
   72    70 S   CA   _C13    50     1.39064   123.03667    -2.06801
   73    72 S   HA   _H9_    51     1.08594   121.45001  -179.79729
   74    70 S   OH   _O33    56     1.37617   120.46370   178.02731
   75    74 S   HO   _H10    57     0.97158   109.69000   179.95154
   76    71 S   OH   _O34    59     1.37893   119.99553    -1.80374
   77    76 S   HO   _H11    60     0.97237   110.06518     1.40750
   78    72 S   CA   _C12    52     1.37624   119.01319    -1.60937
   79    78 S   HA   _H8_    53     1.08776   118.82329  -177.07698
   80    62 S   CA   _C11    54     1.44443   126.74345   169.50182
   81    80 S   Cl   Cl1_    55     1.74028   124.24111   -10.11912
  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
  16   7   2   1   1  14  15   7  13   5   6   2   1   5   3  12
   2   1   1  12   5   5   1  13  15  15   7   3   2  14   5   2
   1   1   1   1  11   9   5   7   4   2   1   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    41    67    39    40    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    59    67    68    39    40    43    44    45    46    47    49  
   38    41    67    39    40    43    46  
   36    37  
   37  
    0  
   41    42    48    52    67    39    40    43    54    46    47    49    50    51  
   40    43    44    45    54    46    41    48    52    57    59    60    61    67    68  
   43    44    45    48    59    67    68  
   42    48    52    53    56    59    67    68    54    55    46    47    49  
   48    52    67    54    46  
   44    45    48    59    67    68  
   45    67  
   67  
   47    49    50    51    48  
   49    50    51  
   52    53    56    57    71    59    60    61    67    68    54    55  
   50    51  
   51  
    0  
   53    56    57    58    69    71    76    59    67    68    54    55  
   56    57    71    67    54  
   55    56    59    67    68  
   67  
   57    58    62    69    70    71    76    77    63    59    60    61    67  
   58    62    69    80    71    76    63    64    65    66    59    60    61    67    68  
   62    69    70    78    80    81    71    63    64    65    66    59    60    61    67  
   60    61    67    68    62    63    71  
   61    67    68  
   67    68  
   69    70    72    78    79    80    81    74    71    76    63    64    65    66  
   64    65    66    69    80  
   65    66  
   66  
    0  
   68  
    0  
   70    72    73    78    80    81    74    75    71    76    77  
   72    73    78    79    80    74    75    71    76  
   76    77    72    74    80  
   73    78    79    80    81    74    75  
   78    79    80    74  
   75    78  
    0  
   77  
    0  
   79    80    81  
   80    81  
   81  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    46   410.000  1.444
   41    42   745.000  1.250
   41    48   270.000  1.512
   48    52   317.000  1.522
   48    67   268.000  1.529
   48    54   320.000  1.410
   52    53   570.000  1.229
   52    56   310.000  1.470
   56    57   469.000  1.400
   56    71   469.000  1.400
   57    58   469.000  1.400
   57    59   317.000  1.510
   58    62   469.000  1.400
   58    63   317.000  1.510
   62    69   469.000  1.400
   62    80   469.000  1.400
   69    70   469.000  1.400
   69    71   469.000  1.400
   70    72   469.000  1.400
   70    74   450.000  1.364
   72    73   367.000  1.080
   72    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   300.000  1.725
   74    75   553.000  0.945
   71    76   450.000  1.364
   76    77   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    39   268.000  1.529
   39    40   340.000  1.090
   39    43   382.000  1.448
   43    44   434.000  1.010
   43    45   434.000  1.010
   54    55   553.000  0.945
   46    47   570.000  1.229
   46    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    46    70.00000  119.70000
   33    39    67    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    56.20000  109.47000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    48    65.00000  122.18000
   38    46    47    80.00000  125.30000
   38    46    49    80.00000  111.56200
   41    48    52    70.00000  109.06800
   41    48    67    70.00000  112.02700
   41    48    54    90.00000  110.39200
   48    41    42    85.00000  112.85300
   48    52    53    80.00000  120.40000
   48    52    56    65.00000  115.47100
   48    67    59    58.35000  112.70000
   48    67    68    37.50000  110.70000
   48    67    39    58.35000  112.70000
   48    54    55    55.00000  108.50000
   52    56    57    60.00000  119.52600
   52    56    71    60.00000  119.52600
   56    52    53    75.00000  123.78400
   56    57    58    63.00000  120.00000
   56    57    59    70.00000  120.00000
   56    71    69    63.00000  120.00000
   56    71    76    70.00000  120.00000
   57    58    62    63.00000  120.00000
   57    58    63    70.00000  120.00000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    67    70.00000  112.17500
   58    62    69    63.00000  120.00000
   58    62    80    63.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   62    69    70    63.00000  120.00000
   62    69    71    63.00000  120.00000
   62    80    78    63.00000  120.00000
   62    80    81    75.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    74    70.00000  120.00000
   69    71    76    70.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    78    63.00000  120.00000
   70    74    75    35.00000  113.00000
   72    78    79    35.00000  120.00000
   72    78    80    63.00000  120.00000
   78    72    73    35.00000  120.00000
   78    80    81    75.00000  120.00000
   80    62    69    63.00000  120.00000
   80    78    79    35.00000  120.00000
   74    70    72    70.00000  120.00000
   71    56    57    63.00000  120.00000
   71    69    70    63.00000  120.00000
   71    76    77    35.00000  113.00000
   63    58    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    57    58    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    39    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    48    52    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    39    40    37.50000  110.70000
   67    39    43    56.20000  109.47000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    67    68    37.50000  110.70000
   39    43    44    35.00000  109.50000
   39    43    45    35.00000  109.50000
   43    39    40    35.00000  109.50000
   45    43    44    43.60000  106.40000
   54    48    52    90.00000  109.61100
   54    48    67    50.00000  109.50000
   46    38    41    60.00000  120.04000
   46    49    50    35.00000  119.80000
   46    49    51    35.00000  119.80000
   49    46    47    80.00000  122.90000
   51    49    50    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    46   0.09700  1.0 1.0
   29    33    38    46   0.15600 -1.0 2.0
   29    33    38    46  -0.50800  1.0 3.0
   29    33    39    67   0.44750  1.0 1.0
   29    33    39    67  -0.17800 -1.0 2.0
   29    33    39    67   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   33    38    46    47  -0.64400  1.0 1.0
   33    38    46    47   0.26850 -1.0 2.0
   33    38    46    49   1.59650  1.0 1.0
   33    38    46    49   0.42750 -1.0 2.0
   33    38    46    49  -0.48350  1.0 3.0
   33    39    43    44  -0.05950  1.0 1.0
   33    39    43    44   0.08850 -1.0 2.0
   33    39    43    44   0.11750  1.0 3.0
   33    39    43    45  -0.05950  1.0 1.0
   33    39    43    45   0.08850 -1.0 2.0
   33    39    43    45   0.11750  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    46   0.09700  1.0 1.0
   34    33    38    46   0.15600 -1.0 2.0
   34    33    38    46  -0.50800  1.0 3.0
   34    33    39    67   0.62750  1.0 1.0
   34    33    39    67  -0.30950 -1.0 2.0
   34    33    39    67   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   1.74050  1.0 1.0
   38    33    39    67   0.34400  1.0 1.0
   38    33    39    67   0.09450 -1.0 2.0
   38    33    39    67   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   0.59950  1.0 1.0
   38    33    39    43  -0.21400 -1.0 2.0
   38    33    39    43   0.56200  1.0 3.0
   38    41    48    52  -0.51250  1.0 1.0
   38    41    48    52  -0.88800 -1.0 2.0
   38    41    48    52   0.08850  1.0 3.0
   38    41   -48    67   0.09850  1.0 1.0
   38    41   -48    67   0.15250 -1.0 2.0
   38    41   -48    67  -0.50650  1.0 3.0
   38    41    48    54   0.67800  1.0 1.0
   38    41    48    54   0.47050 -1.0 2.0
   38    41    48    54  -0.62500  1.0 3.0
   38    46    49    50   2.56700 -1.0 2.0
   38    46    49    51   2.56700 -1.0 2.0
   41    38    46    47   1.00000 -1.0 2.0
   41    38    46    49   0.49500  1.0 1.0
   41    38    46    49   1.31600 -1.0 2.0
   41    38    46    49  -0.02300  1.0 3.0
   41    48    52    53   0.30150 -1.0 2.0
   41    48    52    56   0.65300  1.0 1.0
   41    48    52    56  -0.03850 -1.0 2.0
   41    48    52    56   0.33900  1.0 3.0
   41    48    67    59   0.34400  1.0 1.0
   41    48    67    59   0.09450 -1.0 2.0
   41    48    67    59   0.11100  1.0 3.0
   41    48    67    68   0.15000  1.0 3.0
   41    48    67    39   0.34400  1.0 1.0
   41    48    67    39   0.09450 -1.0 2.0
   41    48    67    39   0.11100  1.0 3.0
   41    48    54    55  -0.07800  1.0 1.0
   41    48    54    55  -0.21500 -1.0 2.0
   41    48    54    55  -0.03150  1.0 3.0
   42    41    48    52   0.09700  1.0 1.0
   42    41    48    52   0.15600 -1.0 2.0
   42    41    48    52  -0.50800  1.0 3.0
   42    41    48    67   0.09700  1.0 1.0
   42    41    48    67   0.15600 -1.0 2.0
   42    41    48    67  -0.50800  1.0 3.0
   42    41    48    54   0.09700  1.0 1.0
   42    41    48    54   0.15600 -1.0 2.0
   42    41    48    54  -0.50800  1.0 3.0
   48    52    56    57   2.26350  1.0 1.0
   48    52    56    57   0.76750 -1.0 2.0
   48    52    56    57   0.22500  1.0 3.0
   48    52    56    71   2.26350  1.0 1.0
   48    52    56    71   0.76750 -1.0 2.0
   48    52    56    71   0.22500  1.0 3.0
   48    67   -39    33   0.56750  1.0 1.0
   48    67   -39    33  -0.07550 -1.0 2.0
   48    67   -39    33   0.20000  1.0 3.0
   48    67    39    40   0.15000  1.0 3.0
   48    67    39    43   1.85550  1.0 1.0
   48    67    39    43  -0.84100 -1.0 2.0
   52    48    67    59  -0.95700  1.0 1.0
   52    48    67    59  -0.18200 -1.0 2.0
   52    48    67    59   0.29450  1.0 3.0
   52    48    67    68  -0.11250  1.0 3.0
   52    48    67    39  -0.95700  1.0 1.0
   52    48    67    39  -0.18200 -1.0 2.0
   52    48    67    39   0.29450  1.0 3.0
   52    48    54    55   0.91850  1.0 1.0
   52    48    54    55   0.57950  1.0 3.0
   52    56    57    58   3.62500 -1.0 2.0
   52    56   -57    59   3.62500 -1.0 2.0
   52    56    71    69   3.62500 -1.0 2.0
   52    56    71    76   3.62500 -1.0 2.0
   53    52    56    57   1.05000 -1.0 2.0
   53    52    56    71   1.05000 -1.0 2.0
   56    57    58    62   3.62500 -1.0 2.0
   56    57    58    63   3.62500 -1.0 2.0
   56    57    59    60   0.00000  1.0 1.0
   56    57    59    61   0.00000  1.0 1.0
   56    57    59    67   0.04150 -1.0 2.0
   56    71    76    77   0.84100 -1.0 2.0
   57    56    71    69   3.62500 -1.0 2.0
   57    56    71    76   3.62500 -1.0 2.0
   57    58   -62    69   3.62500 -1.0 2.0
   57    58    62    80   3.62500 -1.0 2.0
   57    58    63    64   0.00000  1.0 1.0
   57    58    63    65   0.00000  1.0 1.0
   57    58    63    66   0.00000  1.0 1.0
   57    59   -67    48  -0.03700  1.0 1.0
   57    59   -67    48   0.37200 -1.0 2.0
   57    59   -67    48  -0.47300  1.0 3.0
   57    59    67    68   0.43200  1.0 3.0
   57    59    67    39  -0.03700  1.0 1.0
   57    59    67    39   0.37200 -1.0 2.0
   57    59    67    39  -0.47300  1.0 3.0
   58    57    59    60   0.00000  1.0 1.0
   58    57    59    61   0.00000  1.0 1.0
   58    57    59    67   0.04150 -1.0 2.0
   58    62    69    70   3.62500 -1.0 2.0
   58    62    69    71   3.62500 -1.0 2.0
   58    62    80    78   3.62500 -1.0 2.0
   58    62    80    81   3.62500 -1.0 2.0
   62    58    63    64   0.00000  1.0 1.0
   62    58    63    65   0.00000  1.0 1.0
   62    58    63    66   0.00000  1.0 1.0
   62    69    70    72   3.62500 -1.0 2.0
   62    69    70    74   3.62500 -1.0 2.0
   62    69   -71    56   3.62500 -1.0 2.0
   62    69    71    76   3.62500 -1.0 2.0
   69    62    80    78   3.62500 -1.0 2.0
   69    62    80    81   3.62500 -1.0 2.0
   69    70    72    73   3.62500 -1.0 2.0
   69    70   -72    78   3.62500 -1.0 2.0
   69    70    74    75   0.84100 -1.0 2.0
   69    71    76    77   0.84100 -1.0 2.0
   70    69    71    56   3.62500 -1.0 2.0
   70    69    71    76   3.62500 -1.0 2.0
   70    72    78    79   3.62500 -1.0 2.0
   70    72    78    80   3.62500 -1.0 2.0
   72    70    74    75   0.84100 -1.0 2.0
   72    78   -80    62   3.62500 -1.0 2.0
   72    78    80    81   3.62500 -1.0 2.0
   73    72    78    79   3.62500 -1.0 2.0
   73    72    78    80   3.62500 -1.0 2.0
   79    78    80    62   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    62   -69    70   3.62500 -1.0 2.0
   80    62    69    71   3.62500 -1.0 2.0
   74    70    72    73   3.62500 -1.0 2.0
   74    70    72    78   3.62500 -1.0 2.0
   71    56   -57    58   3.62500 -1.0 2.0
   71    56    57    59   3.62500 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    74   3.62500 -1.0 2.0
   63    58    62    69   3.62500 -1.0 2.0
   63    58    62    80   3.62500 -1.0 2.0
   59    57    58    62   3.62500 -1.0 2.0
   59    57    58    63   3.62500 -1.0 2.0
   59    67    39    33   0.56750  1.0 1.0
   59    67    39    33  -0.07550 -1.0 2.0
   59    67    39    33   0.20000  1.0 3.0
   59    67    39    40   0.15000  1.0 3.0
   59    67    39    43   1.85550  1.0 1.0
   59    67    39    43  -0.84100 -1.0 2.0
   60    59    67    48   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    39   0.15000  1.0 3.0
   61    59    67    48   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    39   0.15000  1.0 3.0
   67    48    52    53   0.30150 -1.0 2.0
   67    48   -52    56   0.05850 -1.0 2.0
   67    48   -52    56   0.17250  1.0 3.0
   67    48    54    55  -0.11600  1.0 1.0
   67    48    54    55  -0.09450 -1.0 2.0
   67    48    54    55   0.21250  1.0 3.0
   67    39    43    44  -0.05950  1.0 1.0
   67    39    43    44   0.08850 -1.0 2.0
   67    39    43    44   0.11750  1.0 3.0
   67    39    43    45  -0.05950  1.0 1.0
   67    39    43    45   0.08850 -1.0 2.0
   67    39    43    45   0.11750  1.0 3.0
   68    67    39    33   0.15000  1.0 3.0
   68    67    39    40   0.15000  1.0 3.0
   68    67    39    43   0.15000  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    46   0.09700  1.0 1.0
   39    33    38    46   0.15600 -1.0 2.0
   39    33    38    46  -0.50800  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    45   0.20000  1.0 3.0
   54    48    52    53   0.30150 -1.0 2.0
   54    48    52    56   0.65300  1.0 1.0
   54    48    52    56  -0.03850 -1.0 2.0
   54    48    52    56   0.33900  1.0 3.0
   54    48    67    59   0.86500  1.0 1.0
   54    48    67    59  -0.17500 -1.0 2.0
   54    48    67    59   0.20800  1.0 3.0
   54    48    67    68   0.23400  1.0 3.0
   54    48    67    39   0.86500  1.0 1.0
   54    48    67    39  -0.17500 -1.0 2.0
   54    48    67    39   0.20800  1.0 3.0
   46    38    41    42   7.00000 -1.0 2.0
   46    38    41    48   7.00000 -1.0 2.0
   47    46    49    50   2.45000 -1.0 2.0
   47    46    49    51   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    46    38    41   1.10000 -1.0 2.0
   48    42    41    38   1.10000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   57    71    56    52   4.00000 -1.0 2.0
   58    59    57    56   4.00000 -1.0 2.0
   62    63    58    57   4.00000 -1.0 2.0
   69    80    62    58   4.00000 -1.0 2.0
   70    71    69    62   4.00000 -1.0 2.0
   72    74    70    69   4.00000 -1.0 2.0
   78    73    72    70   1.10000 -1.0 2.0
   80    79    78    72   1.10000 -1.0 2.0
   78    81    80    62   4.00000 -1.0 2.0
   69    76    71    56   4.00000 -1.0 2.0
   38    49    46    47  10.50000 -1.0 2.0
   51    46    49    50   1.00000 -1.0 2.0
END
