* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    154    233     452
    1     0 S   NP   _N1_     1    28.01968    95.07368   -23.40123
    2     1 S   H    _HN1     2     1.02957    85.68987    -5.81982
    3     1 S   H    _H1_     3     1.02836    26.12213   139.40153
    4     1 S   H    _H2_     4     1.02776   101.68352  -113.67931
    5     1 S   CT   _CA1     5     1.50139   134.15725   108.61556
    6     5 S   HC   _HA1     6     1.09574   105.20810    73.09515
    7     5 S   CO3  _C1_     7     1.53784   112.36354   -47.08715
    8     7 S   O2Z  _O11     8     1.26368   114.99011   -43.60391
    9     7 S   O2Z  _O12     9     1.26235   114.93471   135.46416
   10     5 S   CT   _CB1    10     1.53096   107.42002  -168.99282
   11    10 S   HC   HB11    11     1.09828   109.32856   -50.36353
   12    10 S   HC   HB12    12     1.09815   110.42830    66.19234
   13    10 S   CT   _CG1    13     1.53021   112.67882  -171.42634
   14    13 S   HC   HG11    14     1.09594   110.50086   -64.60903
   15    13 S   HC   HG12    15     1.09658   109.91024    54.59389
   16    13 S   C    _CD1    16     1.51845   112.30815   174.96230
   17    16 S   O    _OE1    17     1.22751   123.28846     0.96103
   18    16 S   N    _N2_    18     1.38549   111.71630  -179.07064
   19    18 S   H    _HN2    19     1.01560   119.06148     4.19470
   20    18 S   CT1  _CA2    20     1.45876   122.89297   177.92566
   21    20 S   HC   _HA2    21     1.09712   108.96142    24.48057
   22    20 S   C    _C2_    22     1.52867   106.70015   -92.84909
   23    22 S   O    _O2_    23     1.23008   122.87830   -31.13811
   24    20 S   CT   _CB2    32     1.53277   112.20906   147.75146
   25    24 S   HC   HB21    33     1.09428   109.50569    54.80117
   26    24 S   HC   HB22    34     1.09414   109.79258   173.47857
   27    22 S   N    _N3_    24     1.38460   112.71358   151.58873
   28    27 S   H    _HN3    25     1.01660   120.40854    -1.36157
   29    24 S   S    _SG2    35     1.82938   110.70538   -65.93882
   30    27 S   CT   _CA3    26     1.45360   122.38610   178.59111
   31    30 S   HC   HA31    27     1.09574   107.45007   -63.30702
   32    30 S   HC   HA32    28     1.09574   107.94435    52.99062
   33    29 S   CT   _C19    36     1.90073   101.42649  -179.72024
   34    30 S   CO3  _C3_    29     1.52881   114.44490   174.95655
   35    34 S   O2Z  _O31    30     1.26318   116.11334    -3.28235
   36    34 S   O2Z  _O32    31     1.26458   114.38205   176.86013
   37    33 S   CM   _C5_    37     1.54007   104.42673    68.06033
   38    37 S   HC   _H29    38     1.09669   111.37871    54.47174
   39    33 S   CT   _C18    57     1.56947   109.19036   -60.88824
   40    39 S   HC   _H38    58     1.09339   107.70431    72.41162
   41    33 S   CT   _C23    82     1.54323   103.96972  -179.12755
   42    41 S   HC   _H48    83     1.09638   111.88273    66.05742
   43    41 S   HC   _H49    84     1.09776   112.32422   -54.94484
   44    41 S   HC   _H50    85     1.09618   111.15163  -173.66265
   45    37 S   CMA  _C6_    39     1.35540   135.18466  -122.45280
   46    45 S   OM   _O21    40     1.26215   129.38249   174.38169
   47    39 S   OH   _O25    59     1.43571   110.69732   -42.76257
   48    47 S   HO   _H51    60     0.97186   107.91149   170.31221
   49    45 S   CM   _C4_    41     1.45436   120.79934    -5.05509
   50    49 S   HC   _H28    42     1.08990   114.05649    76.78334
   51    49 S   CM   _C7_    43     1.35154   126.60064   -96.84856
   52    51 S   CT   _C14    44     1.50905   119.57848   167.36813
   53    52 S   HC   _H33    45     1.09898   110.74490    20.42918
   54    52 S   HC   _H34    46     1.09798   108.76522   134.25603
   55    51 S   CT   _C20    78     1.50806   125.07061    -8.78966
   56    55 S   HC   _H39    79     1.09418   110.95803   121.99340
   57    55 S   HC   _H40    80     1.09292   113.42176     1.64556
   58    55 S   HC   _H41    81     1.09508   109.73037  -118.58940
   59    52 S   CT   _C17    47     1.55290   114.53630  -102.62687
   60    59 S   HC   _H37    48     1.09751   110.92739   -59.41941
   61    59 S   CT   _C15    49     1.55710   113.82845    64.09630
   62    61 S   HC   _H35    50     1.09760   107.97017    52.55246
   63    59 S   OS   _O26    64     1.45311   105.69610  -177.96241
   64    61 S   CM   _C8_    51     1.49471   113.84809   173.66067
   65    63 S   CO4  _C13    65     1.36020   117.62308    88.66952
   66    65 S   O    _O23    66     1.22218   126.14740     0.25334
   67    64 S   CO4  _C9_    52     1.47072   110.49937   108.93283
   68    67 S   O    _O22    53     1.21762   126.99440  -172.26056
   69    64 S   CM   _C10    61     1.33673   128.43390   -75.76334
   70    69 S   HC   _H30    62     1.08460   120.94529     2.00399
   71    69 S   HC   _H31    63     1.08525   121.84721  -177.58289
   72    65 S   CM   _C12    67     1.49343   109.24501  -179.91844
   73    67 S   OS   _O24    54     1.35663   107.24692     8.15117
   74    72 S   CM   _C11    68     1.34600   115.94806  -157.66533
   75    74 S   HC   _H32    69     1.08938   119.34082     0.52860
   76    72 S   CT   _C22    74     1.49950   118.14937    24.08350
   77    76 S   HC   _H45    75     1.09448   110.43775   -77.24446
   78    76 S   HC   _H46    76     1.09573   110.53639    42.82008
   79    76 S   HC   _H47    77     1.09286   112.87990   161.64635
   80    61 S   CT   _C16    55     1.54203   113.53644   -71.74723
   81    80 S   HC   _H36    56     1.08635   111.49553     4.10379
   82    74 S   CT   _C21    70     1.49564   127.20199   179.28838
   83    82 S   HC   _H42    71     1.09493   109.42240  -128.19779
   84    82 S   HC   _H43    72     1.09422   109.83833   113.31089
   85    82 S   HC   _H44    73     1.09190   113.62507    -8.36426
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  17   2   1   1  14   5  16   7   6   2   1   1   6   3   5   1
  10   3  11  14   6   5   4   2   1   1  13   6  12   7   7   8
   9   3   7   3   4   1   1  10   2   9   5   4   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    80    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    49    61    73    80    81    39    40    47    48    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    49    50    51    80    39    40    47    41    42    43    44  
   45    46    49    39    41  
   40    47    48    41    42    43    44    45    59    61    62    64    67    73    80    81  
   47    48    41    61    73    80    81  
   42    43    44    45    47    80  
   43    44  
   44  
    0  
   46    49    50    51    52    55  
   49    50    51  
   48    61    73    80    81  
   80  
   50    51    52    53    54    59    55    56    57    58  
   51    52    55  
   52    53    54    59    60    61    63    55    56    57    58  
   53    54    59    60    61    62    64    80    63    65    55    56    57    58  
   54    59    60    61    63    55  
   59    60    61    63    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    64    67    73    80    81    69    63    65    66    72  
   61    62    64    80    63    65  
   62    64    67    68    73    80    81    69    70    71    63    65  
   64    67    73    80    81    69    63  
   65    66    72    74    76    64    80  
   67    68    73    80    81    69    70    71  
   66    72    74    75    82    76    77    78    79  
   72    74    76  
   68    73    80    81    69    70    71  
   73    80    69  
   70    71    73    80  
   71  
    0  
   74    75    82    83    84    85    76    77    78    79  
   80    81  
   75    82    83    84    85    76    77    78    79  
   82    83    84    85    76  
   77    78    79    82  
   78    79  
   79  
    0  
   81  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   465.000  1.376
   45    46   745.000  1.250
   45    49   465.000  1.376
   49    50   340.000  1.080
   49    51   549.000  1.340
   51    52   317.000  1.510
   51    55   317.000  1.510
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    63   320.000  1.410
   61    62   340.000  1.090
   61    64   317.000  1.510
   61    80   268.000  1.529
   64    67   320.000  1.462
   64    69   549.000  1.340
   67    68   570.000  1.229
   67    73   214.000  1.327
   73    80   320.000  1.410
   80    81   340.000  1.090
   80    39   268.000  1.529
   39    40   340.000  1.090
   39    47   320.000  1.410
   47    48   553.000  0.945
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    65   214.000  1.327
   65    66   570.000  1.229
   65    72   320.000  1.462
   72    74   549.000  1.340
   72    76   317.000  1.510
   74    75   340.000  1.080
   74    82   317.000  1.510
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    80    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    47    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    65.00000  137.10300
   37    45    49    70.00000  123.01800
   45    37    38    40.00000  120.50800
   45    49    50    40.00000  120.50800
   45    49    51    70.00000  117.34000
   49    45    46    65.00000  137.10300
   49    51    52    70.00000  124.00000
   49    51    55    70.00000  124.00000
   51    49    50    35.00000  120.00000
   51    52    53    35.00000  109.50000
   51    52    54    35.00000  109.50000
   51    52    59    70.00000  112.02700
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    58.35000  112.70000
   52    59    63    50.00000  109.50000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    61    62    37.50000  110.70000
   59    61    64    70.00000  112.02700
   59    61    80    58.35000  112.70000
   59    63    65    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    64    67    65.00000  116.34900
   61    64    69    70.00000  124.00000
   61    80    73    50.00000  109.50000
   61    80    81    37.50000  110.70000
   61    80    39    58.35000  112.70000
   64    61    62    35.00000  109.50000
   64    67    68    80.00000  123.72100
   64    67    73    90.00000  111.29400
   64    69    70    35.00000  120.00000
   64    69    71    35.00000  120.00000
   67    73    80    83.00000  116.90000
   73    67    68    83.00000  123.40000
   73    80    81    35.00000  109.50000
   73    80    39    50.00000  109.50000
   80    61    62    37.50000  110.70000
   80    61    64    70.00000  112.02700
   80    39    40    37.50000  110.70000
   80    39    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    80    81    37.50000  110.70000
   39    47    48    55.00000  108.50000
   47    39    40    35.00000  109.50000
   69    64    67    65.00000  118.96000
   71    69    70    35.00000  117.00000
   63    59    60    35.00000  109.50000
   63    59    61    50.00000  109.50000
   63    65    66    83.00000  123.40000
   63    65    72    90.00000  111.29400
   65    72    74    65.00000  118.96000
   65    72    76    65.00000  116.34900
   72    65    66    80.00000  123.72100
   72    74    75    35.00000  120.00000
   72    74    82    70.00000  124.00000
   72    76    77    35.00000  109.50000
   72    76    78    35.00000  109.50000
   72    76    79    35.00000  109.50000
   74    82    83    35.00000  109.50000
   74    82    84    35.00000  109.50000
   74    82    85    35.00000  109.50000
   82    74    75    35.00000  117.00000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    72    74    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   55    51    52    65.00000  117.92700
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   41    33    37    70.00000  112.02700
   41    33    39    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    80   0.44750  1.0 1.0
   29    33    39    80  -0.17800 -1.0 2.0
   29    33    39    80   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    47   0.56750  1.0 1.0
   29    33    39    47  -0.07550 -1.0 2.0
   29    33    39    47   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    49   7.00000 -1.0 2.0
   33    39    47    48  -0.11600  1.0 1.0
   33    39    47    48  -0.09450 -1.0 2.0
   33    39    47    48   0.21250  1.0 3.0
   37    33    39    80   0.34400  1.0 1.0
   37    33    39    80   0.09450 -1.0 2.0
   37    33    39    80   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    47   1.05650  1.0 1.0
   37    33    39    47   0.15600 -1.0 2.0
   37    33    39    47   0.53150  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    49    50   7.00000 -1.0 2.0
   37    45    49    51   7.00000 -1.0 2.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    49   7.00000 -1.0 2.0
   45    49    51    52   7.00000 -1.0 2.0
   45    49    51    55   7.00000 -1.0 2.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   0.00000  1.0 1.0
   49    51    52    59   0.09850  1.0 1.0
   49    51    52    59   0.15250 -1.0 2.0
   49    51    52    59  -0.50650  1.0 3.0
   49    51    55    56   0.00000  1.0 1.0
   49    51    55    57   0.00000  1.0 1.0
   49    51    55    58   0.00000  1.0 1.0
   50    49    51    52   7.00000 -1.0 2.0
   50    49    51    55   7.00000 -1.0 2.0
   51    52    59    60   0.15000  1.0 3.0
   51    52    59    61   0.34400  1.0 1.0
   51    52    59    61   0.09450 -1.0 2.0
   51    52    59    61   0.11100  1.0 3.0
   51    52    59    63   0.61850  1.0 1.0
   51    52    59    63  -0.22750 -1.0 2.0
   51    52    59    63   0.15300  1.0 3.0
   52    51    55    56   0.34800  1.0 3.0
   52    51    55    57   0.34800  1.0 3.0
   52    51    55    58   0.34800  1.0 3.0
   52    59    61    62   0.15000  1.0 3.0
   52    59    61    64   0.34400  1.0 1.0
   52    59    61    64   0.09450 -1.0 2.0
   52    59    61    64   0.11100  1.0 3.0
   52    59    61    80   0.56750  1.0 1.0
   52    59    61    80  -0.07550 -1.0 2.0
   52    59    61    80   0.20000  1.0 3.0
   52    59    63    65  -0.25900  1.0 1.0
   52    59    63    65  -0.47000 -1.0 2.0
   52    59    63    65   0.11750  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    63   0.23400  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    63   0.23400  1.0 3.0
   59    61    64    67   0.09700  1.0 1.0
   59    61    64    67   0.15600 -1.0 2.0
   59    61    64    67  -0.50800  1.0 3.0
   59    61    64    69   0.09850  1.0 1.0
   59    61    64    69   0.15250 -1.0 2.0
   59    61    64    69  -0.50650  1.0 3.0
   59    61    80    73   0.62750  1.0 1.0
   59    61    80    73  -0.30950 -1.0 2.0
   59    61    80    73   0.27300  1.0 3.0
   59    61    80    81   0.15000  1.0 3.0
   59    61    80    39   0.56750  1.0 1.0
   59    61    80    39  -0.07550 -1.0 2.0
   59    61    80    39   0.20000  1.0 3.0
   59    63    65    66   3.00000 -1.0 2.0
   59    63    65    72   2.00000 -1.0 2.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    80   0.15000  1.0 3.0
   60    59    63    65   0.08050  1.0 3.0
   61    59    63    65  -0.25900  1.0 1.0
   61    59    63    65  -0.47000 -1.0 2.0
   61    59    63    65   0.11750  1.0 3.0
   61    64    67    68  -0.64400  1.0 1.0
   61    64    67    68   0.26850 -1.0 2.0
   61    64   -67    73  -0.15000  1.0 1.0
   61    64   -67    73   0.89550 -1.0 2.0
   61    64   -67    73  -0.06900  1.0 3.0
   61    64    69    70   7.00000 -1.0 2.0
   61    64    69    71   7.00000 -1.0 2.0
   61    80    39    33   0.56750  1.0 1.0
   61    80    39    33  -0.07550 -1.0 2.0
   61    80    39    33   0.20000  1.0 3.0
   61    80    39    40   0.15000  1.0 3.0
   61    80    39    47   0.86500  1.0 1.0
   61    80    39    47  -0.17500 -1.0 2.0
   61    80    39    47   0.20800  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    64    69   0.00000  1.0 1.0
   62    61    80    73   0.23400  1.0 3.0
   62    61    80    81   0.15000  1.0 3.0
   62    61    80    39   0.15000  1.0 3.0
   64    61   -80    73   0.61850  1.0 1.0
   64    61   -80    73  -0.22750 -1.0 2.0
   64    61   -80    73   0.15300  1.0 3.0
   64    61    80    81   0.15000  1.0 3.0
   64    61    80    39   0.34400  1.0 1.0
   64    61    80    39   0.09450 -1.0 2.0
   64    61    80    39   0.11100  1.0 3.0
   64    67   -73    80   2.00000 -1.0 2.0
   67    64    69    70   7.00000 -1.0 2.0
   67    64    69    71   7.00000 -1.0 2.0
   67    73   -80    61  -0.25900  1.0 1.0
   67    73   -80    61  -0.47000 -1.0 2.0
   67    73   -80    61   0.11750  1.0 3.0
   67    73    80    81   0.08050  1.0 3.0
   67    73    80    39  -0.25900  1.0 1.0
   67    73    80    39  -0.47000 -1.0 2.0
   67    73    80    39   0.11750  1.0 3.0
   68    67    73    80   3.00000 -1.0 2.0
   73    80    39    33   0.62750  1.0 1.0
   73    80    39    33  -0.30950 -1.0 2.0
   73    80    39    33   0.27300  1.0 3.0
   73    80    39    40   0.23400  1.0 3.0
   73    80    39    47   3.69350  1.0 1.0
   73    80    39    47  -1.82950 -1.0 2.0
   80    61   -64    67   0.09700  1.0 1.0
   80    61   -64    67   0.15600 -1.0 2.0
   80    61   -64    67  -0.50800  1.0 3.0
   80    61    64    69   0.09850  1.0 1.0
   80    61    64    69   0.15250 -1.0 2.0
   80    61    64    69  -0.50650  1.0 3.0
   80    39    47    48  -0.11600  1.0 1.0
   80    39    47    48  -0.09450 -1.0 2.0
   80    39    47    48   0.21250  1.0 3.0
   81    80    39    33   0.15000  1.0 3.0
   81    80    39    40   0.15000  1.0 3.0
   81    80    39    47   0.23400  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45   0.09850  1.0 1.0
   39    33    37    45   0.15250 -1.0 2.0
   39    33    37    45  -0.50650  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   0.19450  1.0 3.0
   69    64    67    68   1.00000 -1.0 2.0
   69    64    67    73  -0.56150  1.0 1.0
   69    64    67    73   2.19150 -1.0 2.0
   63    59    61    62   0.23400  1.0 3.0
   63    59    61    64   0.61850  1.0 1.0
   63    59    61    64  -0.22750 -1.0 2.0
   63    59    61    64   0.15300  1.0 3.0
   63    59    61    80   0.62750  1.0 1.0
   63    59    61    80  -0.30950 -1.0 2.0
   63    59    61    80   0.27300  1.0 3.0
   63    65    72    74  -0.56150  1.0 1.0
   63    65    72    74   2.19150 -1.0 2.0
   63    65    72    76  -0.15000  1.0 1.0
   63    65    72    76   0.89550 -1.0 2.0
   63    65    72    76  -0.06900  1.0 3.0
   65    72    74    75   7.00000 -1.0 2.0
   65    72    74    82   7.00000 -1.0 2.0
   65    72    76    77   0.15000  1.0 3.0
   65    72    76    78   0.15000  1.0 3.0
   65    72    76    79   0.15000  1.0 3.0
   66    65    72    74   1.00000 -1.0 2.0
   66    65    72    76  -0.64400  1.0 1.0
   66    65    72    76   0.26850 -1.0 2.0
   72    74    82    83   0.00000  1.0 1.0
   72    74    82    84   0.00000  1.0 1.0
   72    74    82    85   0.00000  1.0 1.0
   74    72    76    77   0.00000  1.0 1.0
   74    72    76    78   0.00000  1.0 1.0
   74    72    76    79   0.00000  1.0 1.0
   75    74    82    83   0.33100  1.0 3.0
   75    74    82    84   0.33100  1.0 3.0
   75    74    82    85   0.33100  1.0 3.0
   76    72    74    75   7.00000 -1.0 2.0
   76    72    74    82   7.00000 -1.0 2.0
   55    51    52    53   0.34800  1.0 3.0
   55    51    52    54   0.34800  1.0 3.0
   55    51    52    59   0.46850  1.0 1.0
   55    51    52    59   0.08550 -1.0 2.0
   55    51    52    59   0.09800  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    80   0.56750  1.0 1.0
   41    33    39    80  -0.07550 -1.0 2.0
   41    33    39    80   0.20000  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    47   0.86500  1.0 1.0
   41    33    39    47  -0.17500 -1.0 2.0
   41    33    39    47   0.20800  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45   1.10000 -1.0 2.0
   49    46    45    37   1.10000 -1.0 2.0
   45    50    49    51   1.10000 -1.0 2.0
   52    55    51    49   1.10000 -1.0 2.0
   61    67    64    69   1.10000 -1.0 2.0
   64    73    67    68  10.50000 -1.0 2.0
   70    71    69    64   1.10000 -1.0 2.0
   63    72    65    66  10.50000 -1.0 2.0
   65    76    72    74  15.00000 -1.0 2.0
   82    75    74    72  15.00000 -1.0 2.0
END
