* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    158    239     459
    1     0 S   NP   _N1_     1    28.78536    95.30138   -21.19218
    2     1 S   H    _HN1     2     1.02959    89.16503    39.25253
    3     1 S   H    _H1_     3     1.02840    33.94572   162.47092
    4     1 S   H    _H2_     4     1.02783    87.23626   -69.09514
    5     1 S   CT   _CA1     5     1.50098   144.69878   165.00248
    6     5 S   HC   _HA1     6     1.09579   105.25519    57.71953
    7     5 S   CO3  _C1_     7     1.53786   112.29291   -62.47078
    8     7 S   O2Z  _O11     8     1.26348   115.06892   -47.58193
    9     7 S   O2Z  _O12     9     1.26232   114.89328   131.62342
   10     5 S   CT   _CB1    10     1.53097   107.42548   175.51162
   11    10 S   HC   HB11    11     1.09821   109.32878   -51.70019
   12    10 S   HC   HB12    12     1.09821   110.43012    64.82489
   13    10 S   CT   _CG1    13     1.53006   112.65644  -172.85977
   14    13 S   HC   HG11    14     1.09615   110.32800   -62.34561
   15    13 S   HC   HG12    15     1.09638   110.10519    56.85097
   16    13 S   C    _CD1    16     1.51828   112.26098   177.14199
   17    16 S   O    _OE1    17     1.22720   123.24428    -7.53484
   18    16 S   N    _N2_    18     1.38592   111.62895   172.81706
   19    18 S   H    _HN2    19     1.01594   118.99092     1.37273
   20    18 S   CT1  _CA2    20     1.46291   123.49077  -178.19626
   21    20 S   HC   _HA2    21     1.09731   109.42245   -13.59052
   22    20 S   C    _C2_    22     1.53423   108.32177  -129.30873
   23    22 S   O    _O2_    23     1.23010   122.26153  -146.03982
   24    20 S   CT   _CB2    32     1.53514   111.09029   108.58175
   25    24 S   HC   HB21    33     1.09342   109.16483    54.41771
   26    24 S   HC   HB22    34     1.09503   110.60100   172.78479
   27    22 S   N    _N3_    24     1.38517   113.34588    41.37548
   28    27 S   H    _HN3    25     1.01529   118.90068    -0.67753
   29    24 S   S    _SG2    35     1.83054   111.32309   -68.22457
   30    27 S   CT   _CA3    26     1.45455   123.49589   175.09939
   31    30 S   HC   HA31    27     1.09519   109.29308    23.22179
   32    30 S   HC   HA32    28     1.09497   107.10555   140.23750
   33    29 S   CT   _C24    36     1.85787   102.25806   151.56925
   34    30 S   CO3  _C3_    29     1.52924   113.08692  -100.29419
   35    34 S   O2Z  _O31    30     1.26404   115.39594   -44.45057
   36    34 S   O2Z  _O32    31     1.26353   114.98761   136.47931
   37    33 S   CT   _C21    37     1.53449   110.22329    52.28312
   38    37 S   HC   _H45    38     1.09479   112.21092   -70.19334
   39    37 S   HC   _H46    39     1.09636   111.63461    51.36247
   40    37 S   HC   _H47    40     1.09581   111.07485   170.30116
   41    33 S   CT   _C22    41     1.53889   105.40437   169.85437
   42    41 S   HC   _H48    42     1.09658   111.78550    63.33838
   43    41 S   HC   _H49    43     1.09687   111.77566   -57.96248
   44    41 S   HC   _H50    44     1.09603   111.14384  -176.84824
   45    33 S   CT   _C23    45     1.54110   108.33627   -71.36773
   46    45 S   HC   _H51    46     1.09897   110.85193   -50.50234
   47    45 S   HC   _H52    47     1.09616   112.12793    67.14341
   48    45 S   CO4  _C14    48     1.51229   113.82852  -172.44290
   49    48 S   O    _O24    49     1.22347   124.10168   -76.30671
   50    48 S   OS   _O28    50     1.36346   109.81029   103.81375
   51    50 S   CT   _C16    51     1.44076   117.31596   177.14913
   52    51 S   HC   _H35    52     1.10071   109.54539    36.16339
   53    51 S   CT   _C15    53     1.53614   110.61747   -82.46872
   54    53 S   HC   _H34    54     1.09707   108.92394    72.27268
   55    53 S   CA   _C7_    55     1.50492   109.75346  -167.80916
   56    53 S   OS   _O27    80     1.44327   111.05205   -49.64137
   57    55 S   CA   _C8_    56     1.39930   121.06829    17.79221
   58    56 S   CO4  _C13    81     1.36181   118.17119    99.51488
   59    58 S   O    _O23    82     1.22294   126.60280     0.41069
   60    57 S   CA   _C5_    57     1.39993   120.36637  -179.39542
   61    60 S   HA   _H31    58     1.08749   120.07046   179.29031
   62    57 S   OS   _O26    70     1.36948   124.40109    -0.42244
   63    58 S   CT   _C18    83     1.49787   109.39224  -179.18052
   64    63 S   HC   _H36    84     1.09290   109.87491   -59.21698
   65    63 S   HC   _H37    85     1.09360   109.29849  -178.14945
   66    63 S   HC   _H38    86     1.09272   109.73471    62.67663
   67    60 S   CA   _C4_    59     1.39619   120.61557    -1.12535
   68    67 S   HA   _H30    60     1.08714   119.16568  -179.66370
   69    51 S   CT   _C17    71     1.54660   109.97775   153.50612
   70    67 S   CA   _C6_    61     1.39410   119.90551     0.12972
   71    69 S   CT   _C19    72     1.54050   108.95755   -63.55749
   72    71 S   HC   _H39    73     1.09647   110.89100  -174.12313
   73    71 S   HC   _H40    74     1.09438   112.01858    64.79663
   74    71 S   HC   _H41    75     1.09619   110.81889   -56.55831
   75    69 S   CT   _C20    76     1.53775   114.80252    56.92657
   76    75 S   HC   _H42    77     1.09682   110.46409  -173.85848
   77    75 S   HC   _H43    78     1.09389   112.16492    69.16519
   78    75 S   HC   _H44    79     1.09451   111.92260   -53.42849
   79    55 S   CA   _C9_    62     1.40433   121.00857  -163.16050
   80    79 S   OS   _O25    63     1.41523   118.12773    -0.10835
   81    80 S   CO4  _C12    64     1.38975   122.29904  -179.79442
   82    81 S   O    _O22    65     1.22576   122.16680   179.72876
   83    81 S   CM   _C11    66     1.47297   116.62517    -0.32264
   84    83 S   HC   _H33    67     1.08425   117.16382  -179.79252
   85    70 S   CM   _C10    68     1.45365   121.84050  -179.61845
   86    85 S   HC   _H32    69     1.08457   119.01476    -0.12511
  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
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  10  18   8  15   6  13   9  11   5   4   8   4  11   3   2
   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6   5
   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    69  
   50    51  
   51    52    53    54    55    62    69    71    75    56  
   52    53    54    55    57    79    62    69    71    72    73    74    75    76    77    78    56    58  
   53    54    55    62    69    71    75    56  
   54    55    57    60    70    79    80    62    69    71    75    56    58    59    63  
   55    57    79    69    56    58  
   57    60    61    67    70    79    80    81    85    62    69    56    58  
   58    59    63    64    65    66    57    69    79  
   60    61    67    68    70    79    80    62    69    71    75  
   59    63    64    65    66  
   63    64    65    66  
   61    67    68    70    79    85    62    69  
   67    68    70    62  
   69    71    72    73    74    75    76    77    78    67    79  
   64    65    66  
   65    66  
   66  
    0  
   68    70    79    80    83    85    86  
   70    79    85  
   71    72    73    74    75    76    77    78  
   79    80    81    83    84    85    86  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    85    86  
   81    82    83    84    85  
   82    83    84    85    86  
   83    84    85  
   84    85    86  
   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  -0.180000   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   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    69   268.000  1.529
   53    54   340.000  1.090
   53    55   317.000  1.510
   53    56   320.000  1.410
   55    57   469.000  1.400
   55    79   469.000  1.400
   57    60   469.000  1.400
   57    62   450.000  1.364
   60    61   367.000  1.080
   60    67   469.000  1.400
   67    68   367.000  1.080
   67    70   469.000  1.400
   70    79   469.000  1.400
   70    85   320.000  1.460
   79    80   450.000  1.364
   80    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   62    69   320.000  1.410
   69    71   268.000  1.529
   69    75   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   56    58   214.000  1.327
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    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
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    69    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    70.00000  112.17500
   51    53    56    50.00000  109.50000
   51    69    62    50.00000  109.50000
   51    69    71    58.35000  112.70000
   51    69    75    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    55    57    70.00000  120.00000
   53    55    79    70.00000  120.00000
   53    56    58    83.00000  116.90000
   55    53    54    35.00000  109.50000
   55    57    60    63.00000  120.00000
   55    57    62    70.00000  120.00000
   55    79    70    63.00000  120.00000
   55    79    80    70.00000  120.00000
   57    60    61    35.00000  120.00000
   57    60    67    63.00000  120.00000
   57    62    69    75.00000  111.00000
   60    67    68    35.00000  120.00000
   60    67    70    63.00000  120.00000
   67    60    61    35.00000  120.00000
   67    70    79    63.00000  120.00000
   67    70    85    60.00000  120.93500
   70    67    68    35.00000  120.00000
   70    79    80    70.00000  120.00000
   70    85    83    60.00000  123.20500
   70    85    86    40.00000  117.26300
   79    55    57    63.00000  120.00000
   79    80    81    85.00000  115.98000
   80    81    82    83.00000  123.40000
   80    81    83    90.00000  111.29400
   81    83    84    40.00000  117.72500
   81    83    85    65.00000  118.96000
   83    81    82    80.00000  123.72100
   83    85    86    35.00000  120.00000
   85    70    79    60.00000  120.93500
   85    83    84    35.00000  120.00000
   62    57    60    70.00000  120.00000
   62    69    71    50.00000  109.50000
   62    69    75    50.00000  109.50000
   69    51    52    37.50000  110.70000
   69    51    53    58.35000  112.70000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    69    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   56    53    54    35.00000  109.50000
   56    53    55    85.00000  111.85700
   56    58    59    83.00000  123.40000
   56    58    63    81.00000  111.40000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   63    58    59    80.00000  120.40000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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    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
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    40   0.15000  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
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  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    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.25900  1.0 1.0
   48    50    51    53  -0.47000 -1.0 2.0
   48    50    51    53   0.11750  1.0 3.0
   48    50    51    69  -0.25900  1.0 1.0
   48    50    51    69  -0.47000 -1.0 2.0
   48    50    51    69   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55  -0.64350  1.0 1.0
   50    51    53    55  -0.04200 -1.0 2.0
   50    51    53    55   0.19800  1.0 3.0
   50    51    53    56   1.11900  1.0 1.0
   50    51    53    56  -1.16350 -1.0 2.0
   50    51    53    56  -0.34150  1.0 3.0
   50    51    69    62   1.11900  1.0 1.0
   50    51    69    62  -1.16350 -1.0 2.0
   50    51    69    62  -0.34150  1.0 3.0
   50    51    69    71   0.62750  1.0 1.0
   50    51    69    71  -0.30950 -1.0 2.0
   50    51    69    71   0.27300  1.0 3.0
   50    51    69    75   0.62750  1.0 1.0
   50    51    69    75  -0.30950 -1.0 2.0
   50    51    69    75   0.27300  1.0 3.0
   51    53    55    57   0.04150 -1.0 2.0
   51    53    55    79   0.04150 -1.0 2.0
   51    53    56    58  -0.25900  1.0 1.0
   51    53    56    58  -0.47000 -1.0 2.0
   51    53    56    58   0.11750  1.0 3.0
   51    69    71    72   0.15000  1.0 3.0
   51    69    71    73   0.15000  1.0 3.0
   51    69    71    74   0.15000  1.0 3.0
   51    69    75    76   0.15000  1.0 3.0
   51    69    75    77   0.15000  1.0 3.0
   51    69    75    78   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.43200  1.0 3.0
   52    51    53    56   0.23400  1.0 3.0
   52    51    69    62   0.23400  1.0 3.0
   52    51    69    71   0.15000  1.0 3.0
   52    51    69    75   0.15000  1.0 3.0
   53    51    69    62   0.62750  1.0 1.0
   53    51    69    62  -0.30950 -1.0 2.0
   53    51    69    62   0.27300  1.0 3.0
   53    51    69    71   0.56750  1.0 1.0
   53    51    69    71  -0.07550 -1.0 2.0
   53    51    69    71   0.20000  1.0 3.0
   53    51    69    75   0.56750  1.0 1.0
   53    51    69    75  -0.07550 -1.0 2.0
   53    51    69    75   0.20000  1.0 3.0
   53    55    57    60   3.62500 -1.0 2.0
   53    55   -57    62   3.62500 -1.0 2.0
   53    55    79    70   3.62500 -1.0 2.0
   53    55    79    80   3.62500 -1.0 2.0
   53    56    58    59   3.00000 -1.0 2.0
   53    56    58    63   1.63150  1.0 1.0
   53    56    58    63   2.92000 -1.0 2.0
   54    53    55    57   0.00000  1.0 1.0
   54    53    55    79   0.00000  1.0 1.0
   54    53    56    58   0.08050  1.0 3.0
   55    53    56    58  -0.43900 -1.0 2.0
   55    53    56    58   0.14100  1.0 3.0
   55    57    60    61   3.62500 -1.0 2.0
   55    57    60    67   3.62500 -1.0 2.0
   55    57    62    69   1.63200 -1.0 2.0
   55    79    80    81   0.01300  1.0 1.0
   55    79    80    81   0.97950 -1.0 2.0
   55    79    80    81  -0.55700  1.0 3.0
   57    55    79    70   3.62500 -1.0 2.0
   57    55    79    80   3.62500 -1.0 2.0
   57    60    67    68   3.62500 -1.0 2.0
   57    60   -67    70   3.62500 -1.0 2.0
   57    62   -69    51  -0.32850  1.0 1.0
   57    62   -69    51  -0.35800 -1.0 2.0
   57    62   -69    51   0.33950  1.0 3.0
   57    62    69    71  -0.32850  1.0 1.0
   57    62    69    71  -0.35800 -1.0 2.0
   57    62    69    71   0.33950  1.0 3.0
   57    62    69    75  -0.32850  1.0 1.0
   57    62    69    75  -0.35800 -1.0 2.0
   57    62    69    75   0.33950  1.0 3.0
   60    57    62    69   1.63200 -1.0 2.0
   60    67    70    79   3.62500 -1.0 2.0
   60    67    70    85   3.62500 -1.0 2.0
   61    60    67    68   3.62500 -1.0 2.0
   61    60    67    70   3.62500 -1.0 2.0
   67    70   -79    55   3.62500 -1.0 2.0
   67    70    79    80   3.62500 -1.0 2.0
   67    70    85    83   0.15800  1.0 1.0
   67    70    85    83   1.85350 -1.0 2.0
   67    70    85    83  -0.48700  1.0 3.0
   67    70    85    86   0.56550  1.0 3.0
   68    67    70    79   3.62500 -1.0 2.0
   68    67    70    85   3.62500 -1.0 2.0
   70    79    80    81   0.01300  1.0 1.0
   70    79    80    81   0.97950 -1.0 2.0
   70    79    80    81  -0.55700  1.0 3.0
   79    55   -57    60   3.62500 -1.0 2.0
   79    55    57    62   3.62500 -1.0 2.0
   79    70    85    83   0.15800  1.0 1.0
   79    70    85    83   1.85350 -1.0 2.0
   79    70    85    83  -0.48700  1.0 3.0
   79    70    85    86   0.56550  1.0 3.0
   79    80    81    82   3.00000 -1.0 2.0
   79    80   -81    83   2.00000 -1.0 2.0
   80    81    83    84   1.63100 -1.0 2.0
   80    81    83    85  -0.56150  1.0 1.0
   80    81    83    85   2.19150 -1.0 2.0
   81    83   -85    70   7.00000 -1.0 2.0
   81    83    85    86   7.00000 -1.0 2.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    85   1.00000 -1.0 2.0
   84    83    85    70   7.00000 -1.0 2.0
   84    83    85    86   7.00000 -1.0 2.0
   85    70    79    55   3.62500 -1.0 2.0
   85    70   -79    80   3.62500 -1.0 2.0
   62    57    60    61   3.62500 -1.0 2.0
   62    57    60    67   3.62500 -1.0 2.0
   62    69    71    72   0.23400  1.0 3.0
   62    69    71    73   0.23400  1.0 3.0
   62    69    71    74   0.23400  1.0 3.0
   62    69    75    76   0.23400  1.0 3.0
   62    69    75    77   0.23400  1.0 3.0
   62    69    75    78   0.23400  1.0 3.0
   69    51    53    54   0.15000  1.0 3.0
   69    51   -53    55  -0.03700  1.0 1.0
   69    51   -53    55   0.37200 -1.0 2.0
   69    51   -53    55  -0.47300  1.0 3.0
   69    51    53    56   0.62750  1.0 1.0
   69    51    53    56  -0.30950 -1.0 2.0
   69    51    53    56   0.27300  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   75    69    71    72   0.15000  1.0 3.0
   75    69    71    73   0.15000  1.0 3.0
   75    69    71    74   0.15000  1.0 3.0
   56    53    55    57   0.64500  1.0 1.0
   56    53    55    57   0.14800 -1.0 2.0
   56    53    55    57   0.20650  1.0 3.0
   56    53    55    79   0.64500  1.0 1.0
   56    53    55    79   0.14800 -1.0 2.0
   56    53    55    79   0.20650  1.0 3.0
   56    58    63    64   0.00000  1.0 1.0
   56    58    63    65   0.00000  1.0 1.0
   56    58    63    66   0.00000  1.0 1.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    66   0.00000  1.0 1.0
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
   45    50    48    49  10.50000 -1.0 2.0
   57    79    55    53   4.00000 -1.0 2.0
   60    62    57    55   4.00000 -1.0 2.0
   67    61    60    57   1.10000 -1.0 2.0
   70    68    67    60   1.10000 -1.0 2.0
   79    85    70    67   4.00000 -1.0 2.0
   70    80    79    55   4.00000 -1.0 2.0
   80    83    81    82  10.50000 -1.0 2.0
   81    84    83    85   1.10000 -1.0 2.0
   70    86    85    83   1.10000 -1.0 2.0
   56    63    58    59  10.50000 -1.0 2.0
END
