* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    235     458
    1     0 S   NP   _N1_     1    28.69863    95.50006   -20.91820
    2     1 S   H    _HN1     2     1.02961    86.89137    23.76439
    3     1 S   H    _H1_     3     1.02836    36.15150   148.66757
    4     1 S   H    _H2_     4     1.02778    86.91756   -84.78676
    5     1 S   CT   _CA1     5     1.50115   146.90265   147.52240
    6     5 S   HC   _HA1     6     1.09575   105.24457    59.88738
    7     5 S   CO3  _C1_     7     1.53796   112.36599   -60.33974
    8     7 S   O2Z  _O11     8     1.26358   115.01059   -44.47253
    9     7 S   O2Z  _O12     9     1.26240   114.91597   134.70854
   10     5 S   CT   _CB1    10     1.53091   107.42474   177.79034
   11    10 S   HC   HB11    11     1.09823   109.35651   -50.89220
   12    10 S   HC   HB12    12     1.09822   110.40354    65.65924
   13    10 S   CT   _CG1    13     1.53002   112.66681  -172.01102
   14    13 S   HC   HG11    14     1.09603   110.39703   -62.99750
   15    13 S   HC   HG12    15     1.09645   110.04158    56.23214
   16    13 S   C    _CD1    16     1.51806   112.30027   176.58556
   17    16 S   O    _OE1    17     1.22719   123.26155    -4.26939
   18    16 S   N    _N2_    18     1.38625   111.61580   175.93991
   19    18 S   H    _HN2    19     1.01581   119.02711     1.54066
   20    18 S   CT1  _CA2    20     1.46241   123.40515  -178.80777
   21    20 S   HC   _HA2    21     1.09736   109.41273    -8.83364
   22    20 S   C    _C2_    22     1.53464   108.38902  -124.49432
   23    22 S   O    _O2_    23     1.23021   122.21000  -145.96753
   24    20 S   CT   _CB2    32     1.53660   111.45098   113.17598
   25    24 S   HC   HB21    33     1.09458   108.97261    55.53108
   26    24 S   HC   HB22    34     1.09305   109.80297   174.39709
   27    22 S   N    _N3_    24     1.38496   113.41559    41.38037
   28    27 S   H    _HN3    25     1.01522   118.90531    -0.75329
   29    24 S   S    _SG2    35     1.82909   111.12696   -64.79055
   30    27 S   CT   _CA3    26     1.45461   123.56941   175.18314
   31    30 S   HC   HA31    27     1.09515   109.38929    21.31631
   32    30 S   HC   HA32    28     1.09501   107.08244   138.34120
   33    29 S   CT   _C16    36     1.88267   103.53203  -175.08084
   34    30 S   CO3  _C3_    29     1.52918   113.01451  -102.26935
   35    34 S   O2Z  _O31    30     1.26408   115.36526   -45.25893
   36    34 S   O2Z  _O32    31     1.26349   115.00990   135.65300
   37    33 S   CT   _C17    37     1.54650   112.55378   -41.89534
   38    37 S   HC   _H15    38     1.09821   109.40943   169.85419
   39    37 S   HC   _H16    39     1.09505   111.65141    55.26686
   40    33 S   CT   _C23    83     1.55001   103.88839    75.84111
   41    40 S   HC   _H27    84     1.09629   111.86639    63.02103
   42    40 S   HC   _H28    85     1.09499   112.39280   -58.58843
   43    40 S   HC   _H29    86     1.09573   111.61401  -176.64065
   44    37 S   CT   _C18    40     1.52537   113.69274   -69.47597
   45    44 S   HC   _H17    41     1.09678   108.88586  -177.36136
   46    44 S   HC   _H18    42     1.09477   110.64330    66.57250
   47    44 S   CT   _C19    43     1.52647   111.92412   -57.08036
   48    47 S   HC   _H19    44     1.09788   108.72049   178.21688
   49    47 S   HC   _H20    45     1.09760   108.31400   -67.53680
   50    47 S   CT   _C20    46     1.55148   113.91073    55.12775
   51    33 S   CT   _C15    47     1.60203   110.23877  -164.70471
   52    50 S   CT   _C21    75     1.55046   108.81875    74.99952
   53    52 S   HC   _H21    76     1.09481   111.82326  -174.92229
   54    52 S   HC   _H22    77     1.09742   110.78845    66.07609
   55    52 S   HC   _H23    78     1.09035   113.23169   -51.94034
   56    50 S   CT   _C22    79     1.55758   107.37341  -172.40653
   57    56 S   HC   _H24    80     1.09476   111.73758  -179.70525
   58    56 S   HC   _H25    81     1.09483   112.34391    58.53457
   59    56 S   HC   _H26    82     1.09698   110.94274   -60.11930
   60    51 S   CM   _C14    48     1.54230   108.85881  -163.06601
   61    60 S   HC   _H14    49     1.08673   114.73606   -66.76788
   62    51 S   OH   _O35    73     1.43732   107.83902   -46.39759
   63    62 S   HO   _H30    74     0.97094   108.66520   174.41272
   64    60 S   CM   _C13    50     1.34617   126.72801   113.12250
   65    64 S   HC   _H13    51     1.08837   118.16984    -0.59807
   66    64 S   CM   _C5_    52     1.46745   126.71336   179.88131
   67    66 S   CM   _C6_    53     1.35079   118.16324   179.50111
   68    67 S   HC   _H6_    54     1.09079   118.26654    -0.02798
   69    66 S   CT   _C4_    69     1.50855   117.29164    -0.55883
   70    69 S   HC   _H3_    70     1.09589   110.47587   -59.71228
   71    69 S   HC   _H4_    71     1.09172   113.89719  -179.48338
   72    69 S   HC   _H5_    72     1.09584   110.46677    60.66229
   73    67 S   CM   _C7_    55     1.45109   127.75117  -179.97202
   74    73 S   HC   _H7_    56     1.08304   117.73066     0.22728
   75    73 S   CM   _C8_    57     1.34443   122.54598  -179.98022
   76    75 S   HC   _H8_    58     1.09006   118.11437    -0.24549
   77    75 S   CM   _C9_    59     1.46470   126.65723  -179.87489
   78    77 S   CM   _C10    60     1.34689   118.51798   178.02503
   79    78 S   HC   _H9_    61     1.09034   120.26246     1.66836
   80    77 S   CT   _C12    65     1.50769   117.93195    -2.87031
   81    80 S   HC   _H10    66     1.09537   110.51286    66.15261
   82    80 S   HC   _H11    67     1.09327   113.34085  -173.26038
   83    80 S   HC   _H12    68     1.09591   110.63668   -54.37033
   84    78 S   CO3  _C11    62     1.52780   123.86952  -179.13589
   85    84 S   O2Z  _O34    63     1.26330   115.70065    61.85416
   86    84 S   O2Z  _O33    64     1.26419   114.44846  -120.02306
  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  13   5   4   3
  20   2   1   1  16   7   6   8   3   2   1   9   5   4  14   5
   4  14  15   9   3   2   1   5   2   1   1   8   4   2   1   9
   3   9  10   4   4   2   1   1   6   3   9   3   9   8   4   4
   2   1   1   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    50    51    60    62    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    47    50    51    60    61    64    62    63    52    56    40    41    42    43  
   35    36  
   36  
    0  
   38    39    44    45    46    47    48    49    50    51    60    62    40    41    42    43  
   39    44    45    46    47    51    40  
   44    45    46    47    51    40  
   41    42    43    44    50    51    60    62  
   42    43    51  
   43    51  
   51  
   45    46    47    48    49    50    51    52    56  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    60    62    52    53    54    55    56    57    58    59  
   49    50    51    52    56  
   50    51    52    56  
   51    60    61    64    62    63    52    53    54    55    56    57    58    59  
   60    61    64    65    66    62    63    52    53    54    55    56    57    58    59  
   53    54    55    56    57    58    59    60    62  
   54    55    56  
   55    56  
   56  
   57    58    59    60    62  
   58    59  
   59  
    0  
   61    64    65    66    67    69    62    63  
   64    65    66    62  
   63    64  
    0  
   65    66    67    68    73    69    70    71    72  
   66    67    69  
   67    68    73    74    75    69    70    71    72  
   68    73    74    75    76    77    69    70    71    72  
   73    74    75    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    80  
   75    76    77  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    80    81    82    83  
   79    84    85    86    80    81    82    83  
   84    85    86    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    52   268.000  1.529
   50    56   268.000  1.529
   51    60   317.000  1.510
   51    62   320.000  1.410
   60    61   340.000  1.080
   60    64   549.000  1.340
   64    65   340.000  1.080
   64    66   380.000  1.444
   66    67   549.000  1.340
   66    69   317.000  1.510
   67    68   340.000  1.080
   67    73   380.000  1.444
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   380.000  1.444
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   230.000  1.545
   84    85   656.000  1.250
   84    86   656.000  1.250
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   62    63   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    51    50    58.35000  112.70000
   33    51    60    70.00000  112.02700
   33    51    62    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    52    58.35000  112.70000
   47    50    56    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    60    70.00000  112.02700
   50    51    62    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   51    33    37    58.35000  112.70000
   51    60    61    35.00000  117.00000
   51    60    64    70.00000  124.00000
   51    62    63    55.00000  108.50000
   60    64    65    35.00000  120.00000
   60    64    66    70.00000  123.01800
   64    60    61    35.00000  120.00000
   64    66    67    70.00000  123.01800
   64    66    69    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  120.00000
   66    67    73    70.00000  123.01800
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   67    73    74    35.00000  120.00000
   67    73    75    70.00000  123.01800
   73    67    68    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    70.00000  123.01800
   75    73    74    35.00000  120.00000
   75    77    78    70.00000  123.01800
   75    77    80    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    84    55.00000  124.75400
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    85.00000  113.83300
   78    84    86    85.00000  113.83300
   84    78    79    40.00000  118.53000
   86    84    85    80.00000  126.00000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   69    66    67    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   62    51    60    90.00000  110.39200
   52    50    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    50    51    58.35000  112.70000
   56    50    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    51    50   0.44750  1.0 1.0
   29    33    51    50  -0.17800 -1.0 2.0
   29    33    51    50   0.20200  1.0 3.0
   29    33    51    60   0.56750  1.0 1.0
   29    33    51    60  -0.07550 -1.0 2.0
   29    33    51    60   0.20000  1.0 3.0
   29    33    51    62   0.56750  1.0 1.0
   29    33    51    62  -0.07550 -1.0 2.0
   29    33    51    62   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    46   0.15000  1.0 3.0
   33    37    44    47   0.56750  1.0 1.0
   33    37    44    47  -0.07550 -1.0 2.0
   33    37    44    47   0.20000  1.0 3.0
   33    51    60    61   0.00000  1.0 1.0
   33    51    60    64   0.09850  1.0 1.0
   33    51    60    64   0.15250 -1.0 2.0
   33    51    60    64  -0.50650  1.0 3.0
   33    51    62    63  -0.11600  1.0 1.0
   33    51    62    63  -0.09450 -1.0 2.0
   33    51    62    63   0.21250  1.0 3.0
   37    33    51    50   0.56750  1.0 1.0
   37    33    51    50  -0.07550 -1.0 2.0
   37    33    51    50   0.20000  1.0 3.0
   37    33    51    60   0.34400  1.0 1.0
   37    33    51    60   0.09450 -1.0 2.0
   37    33    51    60   0.11100  1.0 3.0
   37    33    51    62   0.86500  1.0 1.0
   37    33    51    62  -0.17500 -1.0 2.0
   37    33    51    62   0.20800  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    43   0.15000  1.0 3.0
   37    44    47    48   0.15000  1.0 3.0
   37    44    47    49   0.15000  1.0 3.0
   37    44   -47    50   0.56750  1.0 1.0
   37    44   -47    50  -0.07550 -1.0 2.0
   37    44   -47    50   0.20000  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    46   0.15000  1.0 3.0
   38    37    44    47   0.15000  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    46   0.15000  1.0 3.0
   39    37    44    47   0.15000  1.0 3.0
   44    47    50    51   0.56750  1.0 1.0
   44    47    50    51  -0.07550 -1.0 2.0
   44    47    50    51   0.20000  1.0 3.0
   44    47    50    52   0.56750  1.0 1.0
   44    47    50    52  -0.07550 -1.0 2.0
   44    47    50    52   0.20000  1.0 3.0
   44    47    50    56   0.56750  1.0 1.0
   44    47    50    56  -0.07550 -1.0 2.0
   44    47    50    56   0.20000  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50   -51    33   0.56750  1.0 1.0
   47    50   -51    33  -0.07550 -1.0 2.0
   47    50   -51    33   0.20000  1.0 3.0
   47    50    51    60   0.34400  1.0 1.0
   47    50    51    60   0.09450 -1.0 2.0
   47    50    51    60   0.11100  1.0 3.0
   47    50    51    62   0.86500  1.0 1.0
   47    50    51    62  -0.17500 -1.0 2.0
   47    50    51    62   0.20800  1.0 3.0
   47    50    52    53   0.15000  1.0 3.0
   47    50    52    54   0.15000  1.0 3.0
   47    50    52    55   0.15000  1.0 3.0
   47    50    56    57   0.15000  1.0 3.0
   47    50    56    58   0.15000  1.0 3.0
   47    50    56    59   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    56   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    56   0.15000  1.0 3.0
   50    51    60    61   0.00000  1.0 1.0
   50    51    60    64   0.09850  1.0 1.0
   50    51    60    64   0.15250 -1.0 2.0
   50    51    60    64  -0.50650  1.0 3.0
   50    51    62    63  -0.11600  1.0 1.0
   50    51    62    63  -0.09450 -1.0 2.0
   50    51    62    63   0.21250  1.0 3.0
   51    33    37    38   0.15000  1.0 3.0
   51    33    37    39   0.15000  1.0 3.0
   51    33   -37    44   0.56750  1.0 1.0
   51    33   -37    44  -0.07550 -1.0 2.0
   51    33   -37    44   0.20000  1.0 3.0
   51    33    40    41   0.15000  1.0 3.0
   51    33    40    42   0.15000  1.0 3.0
   51    33    40    43   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   51    60    64    65   7.00000 -1.0 2.0
   51    60    64    66   7.00000 -1.0 2.0
   60    51    62    63  -0.07800  1.0 1.0
   60    51    62    63  -0.21500 -1.0 2.0
   60    51    62    63  -0.03150  1.0 3.0
   60    64    66    67   0.28850  1.0 1.0
   60    64    66    67   2.61350 -1.0 2.0
   60    64    66    67   0.78400  1.0 3.0
   60    64    66    69  -0.18600  1.0 3.0
   61    60    64    65   7.00000 -1.0 2.0
   61    60    64    66   7.00000 -1.0 2.0
   64    66    67    68   7.00000 -1.0 2.0
   64    66    67    73   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.00000  1.0 1.0
   65    64    66    67  -0.18600  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    67    73    74  -0.18600  1.0 3.0
   66    67    73    75   0.28850  1.0 1.0
   66    67    73    75   2.61350 -1.0 2.0
   66    67    73    75   0.78400  1.0 3.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   67    66    69    72   0.00000  1.0 1.0
   67    73    75    76   7.00000 -1.0 2.0
   67    73    75    77   7.00000 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75  -0.18600  1.0 3.0
   73    75    77    78   0.28850  1.0 1.0
   73    75    77    78   2.61350 -1.0 2.0
   73    75    77    78   0.78400  1.0 3.0
   73    75    77    80  -0.18600  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.00000  1.0 1.0
   75    77    80    82   0.00000  1.0 1.0
   75    77    80    83   0.00000  1.0 1.0
   76    75    77    78  -0.18600  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   77    78    84    85  -0.04000 -1.0 2.0
   77    78    84    85  -0.29050  1.0 3.0
   77    78    84    86  -0.04000 -1.0 2.0
   77    78    84    86  -0.29050  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.00000  1.0 1.0
   79    78    84    86   0.00000  1.0 1.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   69    66    67    68   7.00000 -1.0 2.0
   69    66    67    73   7.00000 -1.0 2.0
   62    51    60    61   0.00000  1.0 1.0
   62    51    60    64   0.67800  1.0 1.0
   62    51    60    64   0.47050 -1.0 2.0
   62    51    60    64  -0.62500  1.0 3.0
   52    50    51    33   0.56750  1.0 1.0
   52    50    51    33  -0.07550 -1.0 2.0
   52    50    51    33   0.20000  1.0 3.0
   52    50    51    60   0.34400  1.0 1.0
   52    50    51    60   0.09450 -1.0 2.0
   52    50    51    60   0.11100  1.0 3.0
   52    50    51    62   0.86500  1.0 1.0
   52    50    51    62  -0.17500 -1.0 2.0
   52    50    51    62   0.20800  1.0 3.0
   52    50    56    57   0.15000  1.0 3.0
   52    50    56    58   0.15000  1.0 3.0
   52    50    56    59   0.15000  1.0 3.0
   56    50    51    33   0.56750  1.0 1.0
   56    50    51    33  -0.07550 -1.0 2.0
   56    50    51    33   0.20000  1.0 3.0
   56    50    51    60   0.34400  1.0 1.0
   56    50    51    60   0.09450 -1.0 2.0
   56    50    51    60   0.11100  1.0 3.0
   56    50    51    62   0.86500  1.0 1.0
   56    50    51    62  -0.17500 -1.0 2.0
   56    50    51    62   0.20800  1.0 3.0
   56    50    52    53   0.15000  1.0 3.0
   56    50    52    54   0.15000  1.0 3.0
   56    50    52    55   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    51    50   0.56750  1.0 1.0
   40    33    51    50  -0.07550 -1.0 2.0
   40    33    51    50   0.20000  1.0 3.0
   40    33    51    60   0.34400  1.0 1.0
   40    33    51    60   0.09450 -1.0 2.0
   40    33    51    60   0.11100  1.0 3.0
   40    33    51    62   0.86500  1.0 1.0
   40    33    51    62  -0.17500 -1.0 2.0
   40    33    51    62   0.20800  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   51    61    60    64  15.00000 -1.0 2.0
   66    65    64    60  15.00000 -1.0 2.0
   64    69    66    67  15.00000 -1.0 2.0
   73    68    67    66  15.00000 -1.0 2.0
   67    74    73    75  15.00000 -1.0 2.0
   77    76    75    73  15.00000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
   85    78    84    86  10.50000 -1.0 2.0
END
