* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    159    247     474
    1     0 S   NP   _N1_     1    29.26605    91.90081   -22.53757
    2     1 S   H    _HN1     2     1.02773   103.82298   -71.01912
    3     1 S   H    _H1_     3     1.02967    96.03868    39.58439
    4     1 S   H    _H2_     4     1.02828    14.33093  -179.59944
    5     1 S   CT   _CA1     5     1.50151   124.23768   159.22167
    6     5 S   HC   _HA1     6     1.09581   105.19426    64.61651
    7     5 S   CO3  _C1_     7     1.53778   112.43610   -55.41053
    8     7 S   O2Z  _O11     8     1.26349   115.01285   -41.76834
    9     7 S   O2Z  _O12     9     1.26254   114.91953   137.30811
   10     5 S   CT   _CB1    10     1.53081   107.35784  -177.61099
   11    10 S   HC   HB11    11     1.09820   109.14284   -51.57308
   12    10 S   HC   HB12    12     1.09831   110.45289    64.87716
   13    10 S   CT   _CG1    13     1.53022   112.80317  -172.81935
   14    13 S   HC   HG11    14     1.09596   110.26619   -65.01687
   15    13 S   HC   HG12    15     1.09638   110.16519    54.23584
   16    13 S   C    _CD1    16     1.51785   112.21346   174.30711
   17    16 S   O    _OE1    17     1.22751   123.17442    -9.34653
   18    16 S   N    _N2_    18     1.38686   111.78648   171.39262
   19    18 S   H    _HN2    19     1.01585   119.13863     0.84395
   20    18 S   CT1  _CA2    20     1.46068   123.16404  -178.94464
   21    20 S   HC   _HA2    21     1.09570   109.16328   -11.23899
   22    20 S   C    _C2_    22     1.53419   108.86223  -126.30090
   23    22 S   O    _O2_    23     1.23032   122.10993  -147.98285
   24    20 S   CT   _CB2    32     1.53514   111.90202   111.09478
   25    24 S   HC   HB21    33     1.09659   109.51313    64.52850
   26    24 S   HC   HB22    34     1.09578   110.76416  -178.29062
   27    22 S   N    _N3_    24     1.38477   113.46632    39.64214
   28    27 S   H    _HN3    25     1.01518   118.92112    -0.80600
   29    24 S   S    _SG2    35     1.82900   115.02289   -55.18912
   30    27 S   CT   _CA3    26     1.45436   123.39916   174.63535
   31    30 S   HC   HA31    27     1.09527   109.15339    25.99564
   32    30 S   HC   HA32    28     1.09491   107.14589   143.02236
   33    29 S   CT   _C23    36     1.83001    99.96479   -67.08485
   34    33 S   HC   _H3_    37     1.09414   106.72911   -63.15243
   35    33 S   HC   _H4_    38     1.09034   107.95223    54.16513
   36    30 S   CO3  _C3_    29     1.52945   113.17749   -97.39386
   37    36 S   O2Z  _O31    30     1.26399   115.46249   -42.67426
   38    36 S   O2Z  _O32    31     1.26362   114.94094   138.25442
   39    33 S   CT   _C15    39     1.54190   111.91789   175.74909
   40    39 S   HC   _H41    40     1.09783   107.87709    38.84736
   41    39 S   CO4  _C4_    41     1.52137   109.29047   -76.08478
   42    41 S   O    _O21    42     1.22861   121.89211    82.97309
   43    41 S   OS   _O24    43     1.35280   116.87294   -90.60178
   44    43 S   CT   _C14    44     1.43862   120.74157   -38.82966
   45    44 S   HC   _H39    45     1.09453   106.42883   -76.11184
   46    44 S   HC   _H40    46     1.09707   106.83238   171.09671
   47    44 S   CT   _C20    47     1.53931   113.60332    48.49972
   48    47 S   CT   _C13    48     1.54930   109.72377  -173.85634
   49    48 S   HC   _H37    49     1.09878   109.97477   -56.45323
   50    48 S   HC   _H38    50     1.09950   110.33270  -171.39666
   51    47 S   CM   _C8_    84     1.53072   108.19393    69.75349
   52    51 S   HC   _H36    85     1.08942   117.38146     3.61292
   53    48 S   CT   _C18    51     1.53136   114.64076    67.03594
   54    53 S   HC   _H44    52     1.09628   110.57789   -67.23312
   55    51 S   CM   _C5_    86     1.34048   125.94021  -176.96223
   56    55 S   HC   _H30    87     1.08512   120.31261  -179.80416
   57    55 S   HC   _H31    88     1.08402   121.98926     0.35277
   58    53 S   CT   _C16    53     1.53893   110.51594    55.11676
   59    58 S   HC   _H42    54     1.09827   107.79293    61.77982
   60    53 S   OS   _O27    72     1.44790   108.38246   173.27200
   61    58 S   CT   _C19    55     1.54459   111.23663   -54.91737
   62    61 S   HC   _H45    56     1.09583   110.33654   -68.94163
   63    58 S   CM   _C9_    61     1.52679   111.27170   179.97202
   64    60 S   CO4  _C12    73     1.35950   117.43373    84.19147
   65    64 S   O    _O23    74     1.22257   126.12545    -2.11155
   66    39 S   CT   _C17    57     1.55787   112.84672   157.12155
   67    66 S   HC   _H43    58     1.09947   107.34182   -40.02007
   68    61 S   OH   _O25    59     1.43357   108.31813   174.88906
   69    68 S   HO   _H53    60     0.97253   108.12789   -61.34085
   70    63 S   CM   _C6_    62     1.34367   124.02790    63.59891
   71    70 S   HC   _H32    63     1.08507   121.25175    -0.48537
   72    70 S   HC   _H33    64     1.08567   122.40044   179.89347
   73    63 S   CO4  _C11    65     1.49028   120.49144  -117.32073
   74    73 S   O    _O22    66     1.22305   124.24022  -151.98605
   75    64 S   CM   _C10    75     1.48740   109.50296   178.21919
   76    73 S   OS   _O28    67     1.35919   109.92321    28.62107
   77    75 S   CM   _C7_    76     1.34168   116.93443   158.23590
   78    77 S   HC   _H34    77     1.08550   120.98204   179.88131
   79    77 S   HC   _H35    78     1.08549   122.37878    -0.15323
   80    75 S   CT   _C22    79     1.49801   120.31031   -21.74555
   81    80 S   HC   _H49    80     1.09533   111.59296   177.71039
   82    80 S   HC   _H50    81     1.09490   111.08002    57.42757
   83    76 S   CT   _C21    68     1.43060   115.41347   179.91607
   84    83 S   HC   _H46    69     1.09325   108.06316  -178.62200
   85    83 S   HC   _H47    70     1.09412   110.21473    62.68845
   86    83 S   HC   _H48    71     1.09422   110.38494   -59.95271
   87    80 S   OH   _O26    82     1.42160   109.20472   -63.03473
   88    87 S   HO   _H54    83     0.97219   107.06316   178.93375
  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   7   5   4   3
  11   5   4   2   1   1  14   7   9   3   7  13   5   4  17  15
   7   6   8   4  14   6   3   1   1  16   8   7   8   5   9   9
   3   3   1   1   1   5   2   1   6   2   8   4   6   2   1   4
   3   2   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    66  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    61    66    67  
   35    39    40    41    66  
   39    40    41    66  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    58    61    62    66    67    68    51  
   41    42    43    47    61    66    67  
   42    43    44    45    46    47    61    66    67  
   43    44    66  
   44    45    46    47    48    66    51  
   45    46    47    48    49    50    53    61    66    67    51    52    55  
   46    47    48    66    51  
   47    48    66    51  
   48    49    50    53    54    58    61    62    66    67    68    60    51    52    55    56    57  
   49    50    53    54    58    59    61    66    67    63    60    64    51    52    55  
   50    53    54    58    66    60    51  
   53    54    58    66    60    51  
   52    55    56    57    53    61    66    67  
   55    56    57    66  
   54    58    59    61    62    66    68    63    70    73    60    64    65    75  
   58    59    61    63    60    64  
   56    57    66  
   57  
    0  
   59    61    62    66    67    68    69    63    70    71    72    73    74    76    60    64  
   61    62    66    68    63    70    73    60  
   64    65    75    77    80    61    63  
   62    66    67    68    69    63    70    73  
   66    67    68    69    63  
   70    71    72    73    74    76    83    66    68  
   65    75    77    78    79    80    81    82    87  
   75    77    80  
   67    68    69  
   68  
   69  
    0  
   71    72    73    74    76  
   72    73  
   73  
   74    76    83    84    85    86  
   76    83  
   77    78    79    80    81    82    87    88  
   83    84    85    86  
   78    79    80    81    82    87  
   79    80  
   80  
   81    82    87    88  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   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   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    66   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    66   268.000  1.529
   47    51   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   317.000  1.510
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   68    69   553.000  0.945
   63    70   549.000  1.340
   63    73   320.000  1.462
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   570.000  1.229
   73    76   214.000  1.327
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   60    64   214.000  1.327
   64    65   570.000  1.229
   64    75   320.000  1.462
   75    77   549.000  1.340
   75    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   553.000  0.945
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    66    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    66    47    58.35000  112.70000
   39    66    61    58.35000  112.70000
   39    66    67    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    35.00000  109.50000
   43    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    66    58.35000  112.70000
   44    47    51    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    53    58.35000  112.70000
   47    66    61    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    51    52    35.00000  117.00000
   47    51    55    70.00000  124.00000
   48    53    54    37.50000  110.70000
   48    53    58    58.35000  112.70000
   48    53    60    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    61    58.35000  112.70000
   53    58    63    70.00000  112.02700
   53    60    64    83.00000  116.90000
   58    53    54    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    66    58.35000  112.70000
   58    61    68    50.00000  109.50000
   58    63    70    70.00000  124.00000
   58    63    73    65.00000  116.34900
   61    58    59    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    68    69    55.00000  108.50000
   66    39    40    37.50000  110.70000
   66    39    41    63.00000  111.10000
   66    47    48    58.35000  112.70000
   66    61    62    37.50000  110.70000
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    58    61    70.00000  112.02700
   63    70    71    35.00000  120.00000
   63    70    72    35.00000  120.00000
   63    73    74    80.00000  123.72100
   63    73    76    90.00000  111.29400
   72    70    71    35.00000  117.00000
   73    63    70    65.00000  118.96000
   73    76    83    83.00000  116.90000
   76    73    74    83.00000  123.40000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    58    50.00000  109.50000
   60    64    65    83.00000  123.40000
   60    64    75    90.00000  111.29400
   64    75    77    65.00000  118.96000
   64    75    80    65.00000  116.34900
   75    64    65    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    79    35.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    87    90.00000  110.39200
   79    77    78    35.00000  117.00000
   80    75    77    70.00000  124.00000
   80    87    88    55.00000  108.50000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   51    47    48    70.00000  112.02700
   51    47    66    70.00000  112.02700
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   55    51    52    35.00000  120.00000
   57    55    56    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    66    47   0.56750  1.0 1.0
   33    39    66    47  -0.07550 -1.0 2.0
   33    39    66    47   0.20000  1.0 3.0
   33    39    66    61   0.56750  1.0 1.0
   33    39    66    61  -0.07550 -1.0 2.0
   33    39    66    61   0.20000  1.0 3.0
   33    39    66    67   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    66   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    66   0.15000  1.0 3.0
   39    41    43    44   1.63150  1.0 1.0
   39    41    43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    66    47   0.15000  1.0 3.0
   40    39    66    61   0.15000  1.0 3.0
   40    39    66    67   0.15000  1.0 3.0
   41    39    66    47  -0.95700  1.0 1.0
   41    39    66    47  -0.18200 -1.0 2.0
   41    39    66    47   0.29450  1.0 3.0
   41    39    66    61  -0.95700  1.0 1.0
   41    39    66    61  -0.18200 -1.0 2.0
   41    39    66    61   0.29450  1.0 3.0
   41    39    66    67  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46   0.08050  1.0 3.0
   41    43   -44    47  -0.25900  1.0 1.0
   41    43   -44    47  -0.47000 -1.0 2.0
   41    43   -44    47   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    47    48   0.62750  1.0 1.0
   43    44    47    48  -0.30950 -1.0 2.0
   43    44    47    48   0.27300  1.0 3.0
   43    44    47    66   0.62750  1.0 1.0
   43    44    47    66  -0.30950 -1.0 2.0
   43    44    47    66   0.27300  1.0 3.0
   43    44    47    51   0.61850  1.0 1.0
   43    44    47    51  -0.22750 -1.0 2.0
   43    44    47    51   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    53   0.56750  1.0 1.0
   44    47    48    53  -0.07550 -1.0 2.0
   44    47    48    53   0.20000  1.0 3.0
   44    47   -66    39   0.56750  1.0 1.0
   44    47   -66    39  -0.07550 -1.0 2.0
   44    47   -66    39   0.20000  1.0 3.0
   44    47    66    61   0.56750  1.0 1.0
   44    47    66    61  -0.07550 -1.0 2.0
   44    47    66    61   0.20000  1.0 3.0
   44    47    66    67   0.15000  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.09850  1.0 1.0
   44    47    51    55   0.15250 -1.0 2.0
   44    47    51    55  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    66   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    66   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   47    48    53    54   0.15000  1.0 3.0
   47    48    53    58   0.56750  1.0 1.0
   47    48    53    58  -0.07550 -1.0 2.0
   47    48    53    58   0.20000  1.0 3.0
   47    48    53    60   0.62750  1.0 1.0
   47    48    53    60  -0.30950 -1.0 2.0
   47    48    53    60   0.27300  1.0 3.0
   47    51    55    56   7.00000 -1.0 2.0
   47    51    55    57   7.00000 -1.0 2.0
   48    47    66    39   0.56750  1.0 1.0
   48    47    66    39  -0.07550 -1.0 2.0
   48    47    66    39   0.20000  1.0 3.0
   48    47    66    61   0.56750  1.0 1.0
   48    47    66    61  -0.07550 -1.0 2.0
   48    47    66    61   0.20000  1.0 3.0
   48    47    66    67   0.15000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.09850  1.0 1.0
   48    47    51    55   0.15250 -1.0 2.0
   48    47    51    55  -0.50650  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53   -58    61   0.56750  1.0 1.0
   48    53   -58    61  -0.07550 -1.0 2.0
   48    53   -58    61   0.20000  1.0 3.0
   48    53    58    63   0.34400  1.0 1.0
   48    53    58    63   0.09450 -1.0 2.0
   48    53    58    63   0.11100  1.0 3.0
   48    53    60    64  -0.25900  1.0 1.0
   48    53    60    64  -0.47000 -1.0 2.0
   48    53    60    64   0.11750  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   49    48    53    60   0.23400  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   50    48    53    60   0.23400  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    66   0.56750  1.0 1.0
   53    58    61    66  -0.07550 -1.0 2.0
   53    58    61    66   0.20000  1.0 3.0
   53    58    61    68   0.86500  1.0 1.0
   53    58    61    68  -0.17500 -1.0 2.0
   53    58    61    68   0.20800  1.0 3.0
   53    58    63    70   0.09850  1.0 1.0
   53    58    63    70   0.15250 -1.0 2.0
   53    58    63    70  -0.50650  1.0 3.0
   53    58    63    73   0.09700  1.0 1.0
   53    58    63    73   0.15600 -1.0 2.0
   53    58    63    73  -0.50800  1.0 3.0
   53    60    64    65   3.00000 -1.0 2.0
   53    60    64    75   2.00000 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    60    64   0.08050  1.0 3.0
   58    53    60    64  -0.25900  1.0 1.0
   58    53    60    64  -0.47000 -1.0 2.0
   58    53    60    64   0.11750  1.0 3.0
   58    61    66    39   0.56750  1.0 1.0
   58    61    66    39  -0.07550 -1.0 2.0
   58    61    66    39   0.20000  1.0 3.0
   58    61   -66    47   0.56750  1.0 1.0
   58    61   -66    47  -0.07550 -1.0 2.0
   58    61   -66    47   0.20000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    68    69  -0.11600  1.0 1.0
   58    61    68    69  -0.09450 -1.0 2.0
   58    61    68    69   0.21250  1.0 3.0
   58    63    70    71   7.00000 -1.0 2.0
   58    63    70    72   7.00000 -1.0 2.0
   58    63    73    74  -0.64400  1.0 1.0
   58    63    73    74   0.26850 -1.0 2.0
   58    63    73    76  -0.15000  1.0 1.0
   58    63    73    76   0.89550 -1.0 2.0
   58    63    73    76  -0.06900  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   59    58    61    68   0.23400  1.0 3.0
   59    58    63    70   0.00000  1.0 1.0
   59    58    63    73   0.15000  1.0 3.0
   61    58    63    70   0.09850  1.0 1.0
   61    58    63    70   0.15250 -1.0 2.0
   61    58    63    70  -0.50650  1.0 3.0
   61    58    63    73   0.09700  1.0 1.0
   61    58    63    73   0.15600 -1.0 2.0
   61    58    63    73  -0.50800  1.0 3.0
   62    61    66    39   0.15000  1.0 3.0
   62    61    66    47   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    39    41    42   0.30150 -1.0 2.0
   66    39   -41    43   0.36750  1.0 3.0
   66    47    48    49   0.15000  1.0 3.0
   66    47    48    50   0.15000  1.0 3.0
   66    47   -48    53   0.56750  1.0 1.0
   66    47   -48    53  -0.07550 -1.0 2.0
   66    47   -48    53   0.20000  1.0 3.0
   66    47    51    52   0.00000  1.0 1.0
   66    47    51    55   0.09850  1.0 1.0
   66    47    51    55   0.15250 -1.0 2.0
   66    47    51    55  -0.50650  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   68    61    66    39   0.86500  1.0 1.0
   68    61    66    39  -0.17500 -1.0 2.0
   68    61    66    39   0.20800  1.0 3.0
   68    61    66    47   0.86500  1.0 1.0
   68    61    66    47  -0.17500 -1.0 2.0
   68    61    66    47   0.20800  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    66   0.34400  1.0 1.0
   63    58    61    66   0.09450 -1.0 2.0
   63    58    61    66   0.11100  1.0 3.0
   63    58    61    68   1.05650  1.0 1.0
   63    58    61    68   0.15600 -1.0 2.0
   63    58    61    68   0.53150  1.0 3.0
   63    73    76    83   2.00000 -1.0 2.0
   70    63    73    74   1.00000 -1.0 2.0
   70    63    73    76  -0.56150  1.0 1.0
   70    63    73    76   2.19150 -1.0 2.0
   73    63    70    71   7.00000 -1.0 2.0
   73    63    70    72   7.00000 -1.0 2.0
   73    76    83    84   0.08050  1.0 3.0
   73    76    83    85   0.08050  1.0 3.0
   73    76    83    86   0.08050  1.0 3.0
   74    73    76    83   3.00000 -1.0 2.0
   60    53    58    59   0.23400  1.0 3.0
   60    53    58    61   0.62750  1.0 1.0
   60    53    58    61  -0.30950 -1.0 2.0
   60    53    58    61   0.27300  1.0 3.0
   60    53    58    63   0.61850  1.0 1.0
   60    53    58    63  -0.22750 -1.0 2.0
   60    53    58    63   0.15300  1.0 3.0
   60    64    75    77  -0.56150  1.0 1.0
   60    64    75    77   2.19150 -1.0 2.0
   60    64    75    80  -0.15000  1.0 1.0
   60    64    75    80   0.89550 -1.0 2.0
   60    64    75    80  -0.06900  1.0 3.0
   64    75    77    78   7.00000 -1.0 2.0
   64    75    77    79   7.00000 -1.0 2.0
   64    75    80    81   0.15000  1.0 3.0
   64    75    80    82   0.15000  1.0 3.0
   64    75    80    87   0.09700  1.0 1.0
   64    75    80    87   0.15600 -1.0 2.0
   64    75    80    87  -0.50800  1.0 3.0
   65    64    75    77   1.00000 -1.0 2.0
   65    64    75    80  -0.64400  1.0 1.0
   65    64    75    80   0.26850 -1.0 2.0
   75    80    87    88  -0.07800  1.0 1.0
   75    80    87    88  -0.21500 -1.0 2.0
   75    80    87    88  -0.03150  1.0 3.0
   77    75    80    81   0.00000  1.0 1.0
   77    75    80    82   0.00000  1.0 1.0
   77    75    80    87   0.67800  1.0 1.0
   77    75    80    87   0.47050 -1.0 2.0
   77    75    80    87  -0.62500  1.0 3.0
   80    75    77    78   7.00000 -1.0 2.0
   80    75    77    79   7.00000 -1.0 2.0
   81    80    87    88   0.19450  1.0 3.0
   82    80    87    88   0.19450  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    53   0.34400  1.0 1.0
   51    47    48    53   0.09450 -1.0 2.0
   51    47    48    53   0.11100  1.0 3.0
   51    47    66    39   0.34400  1.0 1.0
   51    47    66    39   0.09450 -1.0 2.0
   51    47    66    39   0.11100  1.0 3.0
   51    47    66    61   0.34400  1.0 1.0
   51    47    66    61   0.09450 -1.0 2.0
   51    47    66    61   0.11100  1.0 3.0
   51    47    66    67   0.15000  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   58    73    63    70  15.00000 -1.0 2.0
   71    72    70    63  15.00000 -1.0 2.0
   63    76    73    74  10.50000 -1.0 2.0
   60    75    64    65  10.50000 -1.0 2.0
   64    80    75    77  15.00000 -1.0 2.0
   78    79    77    75  15.00000 -1.0 2.0
   47    52    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
