* LIGAND DATABASE FILE (OPLS2005)
*
001      83    87    163    260     479
    1     0 S   NP   _N1_     1    28.74663    94.83501   -21.10653
    2     1 S   H    _HN1     2     1.02962    91.36533    35.42042
    3     1 S   H    _H1_     3     1.02835    31.82094   156.50542
    4     1 S   H    _H2_     4     1.02775    87.61089   -72.87949
    5     1 S   CT   _CA1     5     1.50111   142.45132   162.50878
    6     5 S   HC   _HA1     6     1.09564   105.27828    55.76250
    7     5 S   CO3  _C1_     7     1.53861   112.42074   -64.59111
    8     7 S   O2Z  _O11     8     1.26366   115.01031   -41.46297
    9     7 S   O2Z  _O12     9     1.26239   114.99935   137.91114
   10     5 S   CT   _CB1    10     1.53122   107.44558   173.87039
   11    10 S   HC   HB11    11     1.09816   109.57112   -49.07053
   12    10 S   HC   HB12    12     1.09827   110.29624    67.56662
   13    10 S   CT   _CG1    13     1.52980   112.60626  -170.15294
   14    13 S   HC   HG11    14     1.09509   110.34646   -59.37092
   15    13 S   HC   HG12    15     1.09629   110.12755    59.73799
   16    13 S   C    _CD1    16     1.51778   112.30209  -179.90513
   17    16 S   O    _OE1    17     1.22716   123.22934   -10.95089
   18    16 S   N    _N2_    18     1.38597   111.59848   169.55890
   19    18 S   H    _HN2    19     1.01587   118.98097     1.61628
   20    18 S   CT1  _CA2    20     1.46233   123.49818  -177.69497
   21    20 S   HC   _HA2    21     1.09728   109.42416   -14.45671
   22    20 S   C    _C2_    22     1.53386   108.20618  -130.23003
   23    22 S   O    _O2_    23     1.23003   122.28833  -144.90219
   24    20 S   CT   _CB2    32     1.53429   111.12962   107.70407
   25    24 S   HC   HB21    33     1.09475   109.62097    54.51692
   26    24 S   HC   HB22    34     1.09510   110.74117   173.01548
   27    22 S   N    _N3_    24     1.38526   113.30242    42.40328
   28    27 S   H    _HN3    25     1.01530   118.91276    -0.49456
   29    24 S   S    _SG2    35     1.82851   111.65759   -67.76302
   30    27 S   CT   _CA3    26     1.45450   123.42115   175.09735
   31    30 S   HC   HA31    27     1.09525   109.19335    25.03173
   32    30 S   HC   HA32    28     1.09494   107.12526   142.03988
   33    29 S   CT   _C16    36     1.84988    99.93822   154.38557
   34    33 S   HC   _H5_    37     1.09428   105.24046    39.28913
   35    30 S   CO3  _C3_    29     1.52936   113.17845   -98.41006
   36    35 S   O2Z  _O31    30     1.26398   115.44222   -43.22290
   37    35 S   O2Z  _O32    31     1.26361   114.95488   137.71730
   38    33 S   CT   _C15    38     1.54060   110.66413   -79.32616
   39    38 S   HC   _H4_    39     1.09657   110.04717    61.16104
   40    38 S   CT   _C14    40     1.53272   108.83783  -179.17647
   41    40 S   HC   _H15    41     1.09529   109.60738   -63.00581
   42    40 S   HC   _H16    42     1.09597   110.48208  -179.67374
   43    38 S   OS   _O37    79     1.43414   108.99011   -59.26306
   44    40 S   CT   _C13    43     1.52663   109.50859    60.63520
   45    44 S   HC   _H3_    44     1.09909   108.39114    69.91917
   46    43 S   CT   _C18    80     1.42150   113.58537   158.66389
   47    46 S   HC   _H18    81     1.09300   108.09558  -176.58098
   48    46 S   HC   _H19    82     1.09283   111.04440    64.77265
   49    46 S   HC   _H20    83     1.09378   110.62118   -57.90303
   50    44 S   CT   _C12    45     1.53978   116.04130   -58.03580
   51    44 S   NP   _N4_    56     1.51306   110.80982  -172.06447
   52    51 S   H    _H7_    57     1.02907   111.49332   -38.24902
   53    50 S   CA   _C7_    46     1.56102   106.74227   171.16807
   54    51 S   CT   _C20    58     1.52271   106.36865    82.04204
   55    54 S   HC   _H23    59     1.09471   106.90806   -97.08159
   56    54 S   HC   _H24    60     1.09419   108.66808   144.73456
   57    33 S   CT   _C17    75     1.55198   108.63893   156.26163
   58    57 S   HC   _H6_    76     1.09875   108.74096    49.96725
   59    53 S   CA   _C8_    47     1.40104   122.12985  -148.65623
   60    59 S   HA   _H12    48     1.08298   122.63608     0.93733
   61    50 S   CT   _C21    61     1.55910   102.84847   -77.23397
   62    61 S   HC   _H8_    62     1.09641   111.94224  -149.83973
   63    57 S   OH   _O36    77     1.43323   108.23943   -66.51015
   64    63 S   HO   _H17    78     0.97355   107.09768    53.98289
   65    59 S   CA   _C9_    49     1.38141   118.60800  -178.90229
   66    61 S   OH   _O38    63     1.42166   112.75093    89.55118
   67    66 S   HO   _H25    64     0.97299   107.78201   174.15289
   68    65 S   CA   _C10    50     1.37845   122.82600     0.30964
   69    68 S   CA   _C5_    51     1.38329   121.20369     0.21214
   70    68 S   OS   _O34    70     1.36262   111.06449  -179.93147
   71    53 S   CA   _C6_    52     1.43590   119.28544    33.61339
   72    69 S   OS   _O33    65     1.36665   127.22501  -179.86878
   73    70 S   CO   _C11    71     1.43816   102.02727    -0.03426
   74    73 S   HC   _H13    72     1.09600   108.72490  -120.98475
   75    73 S   HC   _H14    73     1.09601   108.72888   120.85432
   76    71 S   CT   _C19    53     1.51797   119.45383    -2.06317
   77    76 S   HC   _H21    54     1.09544   111.75089   128.72846
   78    76 S   HC   _H22    55     1.09624   109.87620  -110.19738
   79    72 S   CT   _C4_    66     1.42046   118.39876     0.61134
   80    79 S   HC   _H9_    67     1.09448   107.61729   179.51061
   81    79 S   HC   _H10    68     1.09456   111.22394    62.14060
   82    79 S   HC   _H11    69     1.09452   111.18359   -63.14630
   83    65 S   OS   _O35    74     1.36333   124.31246  -179.75292
  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  10   5   4   3
  16   8   2   1   1  16   7  14   6   5   6  19   8   3   2   1
   1  20  14   8  18  11   5   4   8   3  10   4   6   2   1   1
   9   1   1  10  12   6   5   5   3   2   1   2   1   1   3   2
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    57    58    63    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    50    53    61    57    58    63    64    43    46  
   38    39    40    50    57    58    63    43  
   36    37  
   37  
    0  
   39    40    41    42    44    45    50    51    57    58    63    43    46    47    48    49  
   40    41    42    44    57    43    46  
   41    42    44    45    50    53    76    51    52    54    61    57    43    46  
   42    44    45    50    51    43  
   44    45    50    51    43  
   46    47    48    49    44    57  
   45    50    53    59    71    76    77    78    51    52    54    55    56    61    62    66    57    58    63  
   50    53    76    51    52    54    61    57  
   47    48    49  
   48    49  
   49  
    0  
   53    59    60    65    69    71    76    51    52    54    55    56    61    62    66    67    57    58    63    64  
   52    54    55    56    61    62    66    57    53    69    71    76    77    78  
   54    55    56    61    71    76    77    78  
   59    60    65    68    69    71    76    77    78    54    61    62    66    72    83    57    58    63  
   55    56    61    62    66    67    57    71    76    77    78  
   56    61    62    66    76  
   61    62    66    76  
   58    63    64    59    61    62    66    71  
   63    64    61  
   60    65    68    69    71    76    61    70    73    83  
   65    68    71    83  
   62    66    67    63    71    76  
   66    67  
   64  
    0  
   68    69    71    72    70    73    74    75    83  
   67  
    0  
   69    71    76    72    79    70    73    74    75    83  
   71    76    77    78    72    79    80    81    82    70    73    83  
   73    74    75    83    71    72  
   76    77    78    72    79  
   79    80    81    82    76  
   74    75    83  
   75    83  
   83  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    57   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    51   367.000  1.471
   50    53   317.000  1.510
   50    61   268.000  1.529
   50    57   268.000  1.529
   53    59   469.000  1.400
   53    71   469.000  1.400
   59    60   367.000  1.080
   59    65   469.000  1.400
   65    68   469.000  1.400
   65    83   450.000  1.364
   68    69   469.000  1.400
   68    70   450.000  1.364
   69    71   469.000  1.400
   69    72   450.000  1.364
   71    76   317.000  1.510
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    66   320.000  1.410
   66    67   553.000  0.945
   72    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   70    73   320.000  1.380
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    83   320.000  1.380
   57    58   340.000  1.090
   57    63   320.000  1.410
   63    64   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    57    50    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    63    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    43    46    60.00000  109.50000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    44    51    80.00000  111.20000
   42    40    41    33.00000  107.80000
   44    40    41    37.50000  110.70000
   44    40    42    37.50000  110.70000
   44    50    53    70.00000  112.17500
   44    50    61    58.35000  112.70000
   44    50    57    58.35000  112.70000
   44    51    76    75.00000  113.01200
   44    51    52    35.00000  109.50000
   44    51    54    75.00000  113.01200
   50    44    45    37.50000  110.70000
   50    53    59    70.00000  120.00000
   50    53    71    70.00000  120.00000
   50    61    54    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    66    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    63    50.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    65    63.00000  120.00000
   53    71    69    63.00000  120.00000
   53    71    76    70.00000  120.00000
   59    65    68    63.00000  120.00000
   59    65    83    70.00000  120.00000
   65    59    60    35.00000  120.00000
   65    68    69    63.00000  120.00000
   65    68    70    70.00000  120.00000
   65    83    73   100.00000  112.36700
   68    69    71    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    70    73   100.00000  112.36700
   69    71    76    70.00000  120.00000
   69    72    79    75.00000  111.00000
   71    53    59    63.00000  120.00000
   71    76    77    35.00000  109.50000
   71    76    78    35.00000  109.50000
   71    76    51    75.00000  110.83300
   76    51    52    35.00000  109.50000
   76    51    54    75.00000  113.01200
   78    76    77    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    50    80.00000  111.20000
   51    76    77    35.00000  109.50000
   51    76    78    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    61    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    61    62    37.50000  110.70000
   54    61    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   61    50    53    70.00000  112.17500
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    66    67    55.00000  108.50000
   66    61    62    35.00000  109.50000
   72    69    71    70.00000  120.00000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   70    68    69    70.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    83    92.60000  111.55000
   75    73    74    33.00000  109.50000
   83    65    68    70.00000  120.00000
   83    73    74    35.00000  109.50000
   83    73    75    35.00000  109.50000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    50    53    70.00000  112.17500
   57    50    61    58.35000  112.70000
   57    63    64    55.00000  108.50000
   63    57    58    35.00000  109.50000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    57    50   0.44750  1.0 1.0
   29    33    57    50  -0.17800 -1.0 2.0
   29    33    57    50   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    63   0.56750  1.0 1.0
   29    33    57    63  -0.07550 -1.0 2.0
   29    33    57    63   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    43    46   0.06250  1.0 1.0
   33    38    43    46  -0.01100 -1.0 2.0
   33    38    43    46   0.28050  1.0 3.0
   33    57    63    64  -0.11600  1.0 1.0
   33    57    63    64  -0.09450 -1.0 2.0
   33    57    63    64   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    57    50   0.15000  1.0 3.0
   34    33    57    58   0.15000  1.0 3.0
   34    33    57    63   0.23400  1.0 3.0
   38    33    57    50   0.56750  1.0 1.0
   38    33    57    50  -0.07550 -1.0 2.0
   38    33    57    50   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    63   0.86500  1.0 1.0
   38    33    57    63  -0.17500 -1.0 2.0
   38    33    57    63   0.20800  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    50   0.56750  1.0 1.0
   38    40   -44    50  -0.07550 -1.0 2.0
   38    40   -44    50   0.20000  1.0 3.0
   38    40    44    51   1.36600  1.0 1.0
   38    40    44    51  -0.11450 -1.0 2.0
   38    40    44    51   0.24250  1.0 3.0
   38    43    46    47   0.37050  1.0 3.0
   38    43    46    48   0.37050  1.0 3.0
   38    43    46    49   0.37050  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    43    46   0.37050  1.0 3.0
   40    38    43    46   0.06250  1.0 1.0
   40    38    43    46  -0.01100 -1.0 2.0
   40    38    43    46   0.28050  1.0 3.0
   40    44    50    53  -0.03700  1.0 1.0
   40    44    50    53   0.37200 -1.0 2.0
   40    44    50    53  -0.47300  1.0 3.0
   40    44    50    61   0.56750  1.0 1.0
   40    44    50    61  -0.07550 -1.0 2.0
   40    44    50    61   0.20000  1.0 3.0
   40    44    50    57   0.56750  1.0 1.0
   40    44    50    57  -0.07550 -1.0 2.0
   40    44    50    57   0.20000  1.0 3.0
   40    44    51    76   0.47100  1.0 1.0
   40    44    51    52   0.17350  1.0 3.0
   40    44    51    54   0.47100  1.0 1.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    50   0.15000  1.0 3.0
   41    40    44    51   0.19200  1.0 3.0
   42    40    44    45   0.15000  1.0 3.0
   42    40    44    50   0.15000  1.0 3.0
   42    40    44    51   0.19200  1.0 3.0
   44    50    53    59   0.04150 -1.0 2.0
   44    50    53    71   0.04150 -1.0 2.0
   44    50   -61    54   0.56750  1.0 1.0
   44    50   -61    54  -0.07550 -1.0 2.0
   44    50   -61    54   0.20000  1.0 3.0
   44    50    61    62   0.15000  1.0 3.0
   44    50    61    66   0.86500  1.0 1.0
   44    50    61    66  -0.17500 -1.0 2.0
   44    50    61    66   0.20800  1.0 3.0
   44    50   -57    33   0.56750  1.0 1.0
   44    50   -57    33  -0.07550 -1.0 2.0
   44    50   -57    33   0.20000  1.0 3.0
   44    50    57    58   0.15000  1.0 3.0
   44    50    57    63   0.86500  1.0 1.0
   44    50    57    63  -0.17500 -1.0 2.0
   44    50    57    63   0.20800  1.0 3.0
   44    51    54    55   0.15000  1.0 3.0
   44    51    54    56   0.15000  1.0 3.0
   44    51   -54    61   0.47100  1.0 1.0
   45    44    50    53   0.43200  1.0 3.0
   45    44    50    61   0.15000  1.0 3.0
   45    44    50    57   0.15000  1.0 3.0
   45    44    51    76   0.15000  1.0 3.0
   45    44    51    52   0.13050  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   50    44    51    76   0.47100  1.0 1.0
   50    44    51    52   0.17350  1.0 3.0
   50    44   -51    54   0.47100  1.0 1.0
   50    53    59    60   3.62500 -1.0 2.0
   50    53    59    65   3.62500 -1.0 2.0
   50    53    71    69   3.62500 -1.0 2.0
   50    53   -71    76   3.62500 -1.0 2.0
   50    61    66    67  -0.11600  1.0 1.0
   50    61    66    67  -0.09450 -1.0 2.0
   50    61    66    67   0.21250  1.0 3.0
   50    57    63    64  -0.11600  1.0 1.0
   50    57    63    64  -0.09450 -1.0 2.0
   50    57    63    64   0.21250  1.0 3.0
   53    50    61    54  -0.03700  1.0 1.0
   53    50    61    54   0.37200 -1.0 2.0
   53    50    61    54  -0.47300  1.0 3.0
   53    50    61    62   0.43200  1.0 3.0
   53    50    61    66   1.13150  1.0 1.0
   53    50    61    66  -1.01400 -1.0 2.0
   53    50    57    33  -0.03700  1.0 1.0
   53    50    57    33   0.37200 -1.0 2.0
   53    50    57    33  -0.47300  1.0 3.0
   53    50    57    58   0.43200  1.0 3.0
   53    50    57    63   1.13150  1.0 1.0
   53    50    57    63  -1.01400 -1.0 2.0
   53    59    65    68   3.62500 -1.0 2.0
   53    59    65    83   3.62500 -1.0 2.0
   53    71    76    77   0.00000  1.0 1.0
   53    71    76    78   0.00000  1.0 1.0
   53    71    76    51  -0.46400 -1.0 2.0
   59    53    71    69   3.62500 -1.0 2.0
   59    53    71    76   3.62500 -1.0 2.0
   59    65   -68    69   3.62500 -1.0 2.0
   59    65    68    70   3.62500 -1.0 2.0
   59    65    83    73   1.63200 -1.0 2.0
   60    59    65    68   3.62500 -1.0 2.0
   60    59    65    83   3.62500 -1.0 2.0
   65    68    69    71   3.62500 -1.0 2.0
   65    68    69    72   3.62500 -1.0 2.0
   65    68   -70    73   1.63200 -1.0 2.0
   68    65   -83    73   1.63200 -1.0 2.0
   68    69   -71    53   3.62500 -1.0 2.0
   68    69    71    76   3.62500 -1.0 2.0
   68    69    72    79   1.63200 -1.0 2.0
   68    70    73    74   0.08050  1.0 3.0
   68    70    73    75   0.08050  1.0 3.0
   68    70   -73    83  -0.25600  1.0 1.0
   68    70   -73    83  -0.40050 -1.0 2.0
   68    70   -73    83   0.34700  1.0 3.0
   69    68    70    73   1.63200 -1.0 2.0
   69    71    76    77   0.00000  1.0 1.0
   69    71    76    78   0.00000  1.0 1.0
   69    71    76    51  -0.46400 -1.0 2.0
   69    72    79    80   0.08050  1.0 3.0
   69    72    79    81   0.08050  1.0 3.0
   69    72    79    82   0.08050  1.0 3.0
   71    53    59    60   3.62500 -1.0 2.0
   71    53   -59    65   3.62500 -1.0 2.0
   71    69    72    79   1.63200 -1.0 2.0
   71    76   -51    44   0.03550  1.0 1.0
   71    76   -51    44   0.09800 -1.0 2.0
   71    76    51    52   0.17350  1.0 3.0
   71    76    51    54   0.03550  1.0 1.0
   71    76    51    54   0.09800 -1.0 2.0
   76    51    54    55   0.15000  1.0 3.0
   76    51    54    56   0.15000  1.0 3.0
   76    51    54    61   0.47100  1.0 1.0
   77    76    51    44   0.15000  1.0 3.0
   77    76    51    52   0.13050  1.0 3.0
   77    76    51    54   0.15000  1.0 3.0
   78    76    51    44   0.15000  1.0 3.0
   78    76    51    52   0.13050  1.0 3.0
   78    76    51    54   0.15000  1.0 3.0
   51    44   -50    53   1.24050  1.0 1.0
   51    44   -50    53   0.48100 -1.0 2.0
   51    44   -50    53   1.08150  1.0 3.0
   51    44   -50    61   1.36600  1.0 1.0
   51    44   -50    61  -0.11450 -1.0 2.0
   51    44   -50    61   0.24250  1.0 3.0
   51    44    50    57   1.36600  1.0 1.0
   51    44    50    57  -0.11450 -1.0 2.0
   51    44    50    57   0.24250  1.0 3.0
   51    54   -61    50   1.36600  1.0 1.0
   51    54   -61    50  -0.11450 -1.0 2.0
   51    54   -61    50   0.24250  1.0 3.0
   51    54    61    62   0.19200  1.0 3.0
   51    54    61    66   1.69300  1.0 1.0
   51    54    61    66  -0.48450 -1.0 2.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    61   0.17350  1.0 3.0
   54    61    66    67  -0.11600  1.0 1.0
   54    61    66    67  -0.09450 -1.0 2.0
   54    61    66    67   0.21250  1.0 3.0
   55    54    61    50   0.15000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    66   0.23400  1.0 3.0
   56    54    61    50   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    66   0.23400  1.0 3.0
   61    50    53    59   0.04150 -1.0 2.0
   61    50    53    71   0.04150 -1.0 2.0
   61    50    57    33   0.56750  1.0 1.0
   61    50    57    33  -0.07550 -1.0 2.0
   61    50    57    33   0.20000  1.0 3.0
   61    50    57    58   0.15000  1.0 3.0
   61    50    57    63   0.86500  1.0 1.0
   61    50    57    63  -0.17500 -1.0 2.0
   61    50    57    63   0.20800  1.0 3.0
   62    61    66    67   0.19450  1.0 3.0
   72    69    71    53   3.62500 -1.0 2.0
   72    69    71    76   3.62500 -1.0 2.0
   70    68    69    71   3.62500 -1.0 2.0
   70    68    69    72   3.62500 -1.0 2.0
   70    73   -83    65  -0.25600  1.0 1.0
   70    73   -83    65  -0.40050 -1.0 2.0
   70    73   -83    65   0.34700  1.0 3.0
   74    73    83    65   0.08050  1.0 3.0
   75    73    83    65   0.08050  1.0 3.0
   83    65    68    69   3.62500 -1.0 2.0
   83    65   -68    70   3.62500 -1.0 2.0
   57    33    38    39   0.15000  1.0 3.0
   57    33   -38    40   0.56750  1.0 1.0
   57    33   -38    40  -0.07550 -1.0 2.0
   57    33   -38    40   0.20000  1.0 3.0
   57    33    38    43   0.62750  1.0 1.0
   57    33    38    43  -0.30950 -1.0 2.0
   57    33    38    43   0.27300  1.0 3.0
   57    50    53    59   0.04150 -1.0 2.0
   57    50    53    71   0.04150 -1.0 2.0
   57    50    61    54   0.56750  1.0 1.0
   57    50    61    54  -0.07550 -1.0 2.0
   57    50    61    54   0.20000  1.0 3.0
   57    50    61    62   0.15000  1.0 3.0
   57    50    61    66   0.86500  1.0 1.0
   57    50    61    66  -0.17500 -1.0 2.0
   57    50    61    66   0.20800  1.0 3.0
   58    57    63    64   0.19450  1.0 3.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    44   0.62750  1.0 1.0
   43    38    40    44  -0.30950 -1.0 2.0
   43    38    40    44   0.27300  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
   36    30    35    37  10.50000 -1.0 2.0
   59    71    53    50   4.00000 -1.0 2.0
   65    60    59    53   1.10000 -1.0 2.0
   68    83    65    59   4.00000 -1.0 2.0
   69    70    68    65   4.00000 -1.0 2.0
   71    72    69    68   4.00000 -1.0 2.0
   69    76    71    53   4.00000 -1.0 2.0
END
