* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    156    246     465
    1     0 S   NP   _N1_     1    28.95251    94.03268   -23.06629
    2     1 S   H    _HN1     2     1.02956    85.18403    23.48441
    3     1 S   H    _H1_     3     1.02836    25.69151   172.08498
    4     1 S   H    _H2_     4     1.02782   103.29856   -84.24158
    5     1 S   CT   _CA1     5     1.50112   132.94181   137.04337
    6     5 S   HC   _HA1     6     1.09571   105.24688    74.55664
    7     5 S   CO3  _C1_     7     1.53770   112.39886   -45.74508
    8     7 S   O2Z  _O11     8     1.26363   114.99215   -43.95281
    9     7 S   O2Z  _O12     9     1.26233   114.91934   135.24642
   10     5 S   CT   _CB1    10     1.53068   107.43466  -167.46721
   11    10 S   HC   HB11    11     1.09826   109.36720   -50.36835
   12    10 S   HC   HB12    12     1.09790   110.36140    66.17716
   13    10 S   CT   _CG1    13     1.53027   112.69696  -171.52643
   14    13 S   HC   HG11    14     1.09589   110.50589   -64.43039
   15    13 S   HC   HG12    15     1.09652   109.96012    54.84811
   16    13 S   C    _CD1    16     1.51768   112.20726   175.18322
   17    16 S   O    _OE1    17     1.22691   123.21460     0.26095
   18    16 S   N    _N2_    18     1.38553   111.81396  -179.64502
   19    18 S   H    _HN2    19     1.01588   119.06716     1.01876
   20    18 S   CT1  _CA2    20     1.46116   123.28622   179.26193
   21    20 S   HC   _HA2    21     1.09626   109.36894    -6.05188
   22    20 S   C    _C2_    22     1.53493   108.68762  -121.35052
   23    22 S   O    _O2_    23     1.23037   122.10353  -147.45713
   24    20 S   CT   _CB2    32     1.53270   111.52104   116.30990
   25    24 S   HC   HB21    33     1.09651   109.72839    58.33778
   26    24 S   HC   HB22    34     1.09561   111.11990   175.86142
   27    22 S   N    _N3_    24     1.38466   113.55870    40.04976
   28    27 S   H    _HN3    25     1.01502   118.96535    -0.58450
   29    24 S   S    _SG2    35     1.82815   114.28969   -61.61729
   30    27 S   CT   _CA3    26     1.45459   123.48561   175.07002
   31    30 S   HC   HA31    27     1.09519   109.28293    23.47570
   32    30 S   HC   HA32    28     1.09496   107.10417   140.49983
   33    29 S   CT   _C20    36     1.83249    99.76213   -67.96754
   34    33 S   HC   _H3_    37     1.09300   108.15922   -40.23401
   35    33 S   HC   _H4_    38     1.09054   105.96816    76.63525
   36    30 S   CO3  _C3_    29     1.52925   113.11107  -100.02947
   37    36 S   O2Z  _O31    30     1.26401   115.40742   -43.62851
   38    36 S   O2Z  _O32    31     1.26357   114.97081   137.29570
   39    33 S   CT   _C10    39     1.53395   111.27513  -162.16072
   40    39 S   HC   _H30    40     1.09759   110.75687   -43.66108
   41    39 S   CO4  _C5_    41     1.50582   109.78630    76.46610
   42    41 S   O    _O19    42     1.22185   125.70473   -71.11503
   43    41 S   OS   _O21    43     1.35736   110.64138   106.44473
   44    43 S   CT   _C14    44     1.43841   112.47945    11.37937
   45    44 S   HC   _H34    45     1.09921   104.42901   114.58065
   46    39 S   CT   _C12    46     1.54585   117.18662  -167.81925
   47    46 S   HC   _H32    47     1.10390   103.66831   148.79819
   48    44 S   CT   _C16    65     1.54147   111.07280  -130.11934
   49    46 S   CT   _C15    48     1.53849   115.87160    34.38671
   50    49 S   HC   _H35    49     1.09073   110.88255   -54.75529
   51    48 S   CT   _C19    66     1.53183   113.76779    60.19868
   52    51 S   HC   _H42    67     1.08789   113.03333    58.85627
   53    51 S   HC   _H43    68     1.09684   110.84202   -61.07034
   54    51 S   HC   _H44    69     1.09528   112.13749  -179.56299
   55    49 S   CT   _C9_    50     1.53250   114.00682  -179.96044
   56    55 S   HC   _H28    51     1.09842   109.32163   -39.28708
   57    55 S   HC   _H29    52     1.09802   109.59308  -152.96446
   58    49 S   OS   _O22    74     1.45620   105.47595    61.80156
   59    55 S   CT   _C13    53     1.53865   115.74727    85.06220
   60    59 S   HC   _H33    54     1.10113   104.83627   178.58847
   61    58 S   CO4  _C6_    75     1.36362   117.57938  -155.96782
   62    61 S   O    _O20    76     1.22308   126.29639    -1.80363
   63    59 S   CT   _C11    55     1.53497   112.22632   -67.75081
   64    63 S   HC   _H31    56     1.10427   104.25194   -59.61976
   65    59 S   CT   _C18    70     1.53028   112.46680    65.81440
   66    65 S   HC   _H39    71     1.08946   113.51550   -67.64895
   67    65 S   HC   _H40    72     1.09416   111.21087   170.47478
   68    65 S   HC   _H41    73     1.09608   110.10575    52.36278
   69    61 S   CT   _C17    77     1.49815   109.49523   178.92353
   70    69 S   HC   _H36    78     1.09314   109.86069   -55.72754
   71    69 S   HC   _H37    79     1.09379   109.36466  -174.47561
   72    69 S   HC   _H38    80     1.09262   109.78433    66.12452
   73    63 S   CT   _C8_    57     1.53288   114.47258  -173.47610
   74    73 S   HC   _H26    58     1.09478   112.28617    61.03148
   75    73 S   HC   _H27    59     1.09491   112.00423   -60.38407
   76    73 S   CT   _C7_    60     1.52166   103.47822  -178.84784
   77    76 S   HC   _H24    61     1.09383   111.37981   -86.27757
   78    76 S   HC   _H25    62     1.09214   111.78158   149.21476
   79    76 S   CO4  _C4_    63     1.51071   102.58889    30.02475
   80    79 S   O    _O18    64     1.22573   122.27420   172.68163
  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  13   7   8   3   9  19   7  13   5  19
  12   6  10   4   3   2  13   6   5   7  12   7   5   4  13   6
   4   2   1   1   3   2   1   1   7   5   4   4   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    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    46    47    49  
   35    39    40    41    46  
   39    40    41    46  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    49    50    55    48    58  
   41    42    43    44    46    47    49  
   42    43    44    45    46    47    49    48  
   43    44    46  
   44    45    46    47    49    63    79    48    51  
   45    46    47    49    50    55    59    63    64    73    76    79    80    48    51    52    53    54    58  
   46    47    49    63    79    48    51  
   47    49    50    55    56    57    59    63    79    48    51    58    61  
   49    50    55    48    58  
   51    52    53    54    65    49    55    59    60    63    64    73    74    75    76    77    78    79    80  
   50    55    56    57    59    60    63    65    58    61    62    69  
   55    56    57    59    58    61  
   52    53    54    59    63    64    73    76    79    80  
   53    54    63    79  
   54    63    79  
   63    79  
   56    57    59    60    63    64    73    65    66    67    68    58    61  
   57    59    60    63    65    58  
   59    60    63    65    58  
   61    62    69    70    71    72    59  
   60    63    64    73    74    75    76    79    65    66    67    68  
   63    64    73    65    66    67    68  
   62    69    70    71    72  
   69    70    71    72  
   64    73    74    75    76    77    78    79    80    65    66    67    68  
   73    74    75    76    79    65  
   66    67    68    73  
   67    68  
   68  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    46   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   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   268.000  1.529
   63    64   340.000  1.090
   63    73   268.000  1.529
   63    48   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   317.000  1.522
   79    80   570.000  1.229
   79    48   317.000  1.522
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   58    61   214.000  1.327
   61    62   570.000  1.229
   61    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    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    46    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    46    44    58.35000  112.70000
   39    46    47    37.50000  110.70000
   39    46    49    58.35000  112.70000
   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    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    48    63    58.35000  112.70000
   44    48    79    63.00000  111.10000
   44    48    51    58.35000  112.70000
   46    39    40    37.50000  110.70000
   46    39    41    63.00000  111.10000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    55    58.35000  112.70000
   46    49    58    50.00000  109.50000
   49    46    47    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    58    61    83.00000  116.90000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    63    58.35000  112.70000
   55    59    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    73    58.35000  112.70000
   59    63    48    58.35000  112.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   63    59    60    37.50000  110.70000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    76    58.35000  112.70000
   63    48    79    63.00000  111.10000
   63    48    51    58.35000  112.70000
   73    63    64    37.50000  110.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    63.00000  111.10000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    80.00000  120.40000
   76    79    48    70.00000  116.00000
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    48    51    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    73    58.35000  112.70000
   48    79    80    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   58    49    50    35.00000  109.50000
   58    49    55    50.00000  109.50000
   58    61    62    83.00000  123.40000
   58    61    69    81.00000  111.40000
   61    69    70    35.00000  109.50000
   61    69    71    35.00000  109.50000
   61    69    72    35.00000  109.50000
   69    61    62    80.00000  120.40000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    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    46   0.44750  1.0 1.0
   29    33    39    46  -0.17800 -1.0 2.0
   29    33    39    46   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    46    44   0.56750  1.0 1.0
   33    39    46    44  -0.07550 -1.0 2.0
   33    39    46    44   0.20000  1.0 3.0
   33    39    46    47   0.15000  1.0 3.0
   33    39    46    49   0.56750  1.0 1.0
   33    39    46    49  -0.07550 -1.0 2.0
   33    39    46    49   0.20000  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    46   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    46   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
   39    46    49    50   0.15000  1.0 3.0
   39    46    49    55   0.56750  1.0 1.0
   39    46    49    55  -0.07550 -1.0 2.0
   39    46    49    55   0.20000  1.0 3.0
   39    46    49    58   0.62750  1.0 1.0
   39    46    49    58  -0.30950 -1.0 2.0
   39    46    49    58   0.27300  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    46    44   0.15000  1.0 3.0
   40    39    46    47   0.15000  1.0 3.0
   40    39    46    49   0.15000  1.0 3.0
   41    39   -46    44  -0.95700  1.0 1.0
   41    39   -46    44  -0.18200 -1.0 2.0
   41    39   -46    44   0.29450  1.0 3.0
   41    39    46    47  -0.11250  1.0 3.0
   41    39    46    49  -0.95700  1.0 1.0
   41    39    46    49  -0.18200 -1.0 2.0
   41    39    46    49   0.29450  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43   -44    46  -0.25900  1.0 1.0
   41    43   -44    46  -0.47000 -1.0 2.0
   41    43   -44    46   0.11750  1.0 3.0
   41    43    44    48  -0.25900  1.0 1.0
   41    43    44    48  -0.47000 -1.0 2.0
   41    43    44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44   -46    39   0.62750  1.0 1.0
   43    44   -46    39  -0.30950 -1.0 2.0
   43    44   -46    39   0.27300  1.0 3.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    49   0.62750  1.0 1.0
   43    44    46    49  -0.30950 -1.0 2.0
   43    44    46    49   0.27300  1.0 3.0
   43    44    48    63   0.62750  1.0 1.0
   43    44    48    63  -0.30950 -1.0 2.0
   43    44    48    63   0.27300  1.0 3.0
   43    44    48    79  -0.09450  1.0 1.0
   43    44    48    79  -1.12950 -1.0 2.0
   43    44    48    79   0.54000  1.0 3.0
   43    44    48    51   0.62750  1.0 1.0
   43    44    48    51  -0.30950 -1.0 2.0
   43    44    48    51   0.27300  1.0 3.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    55   0.56750  1.0 1.0
   44    46    49    55  -0.07550 -1.0 2.0
   44    46    49    55   0.20000  1.0 3.0
   44    46    49    58   0.62750  1.0 1.0
   44    46    49    58  -0.30950 -1.0 2.0
   44    46    49    58   0.27300  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    53   0.15000  1.0 3.0
   44    48    51    54   0.15000  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    48    63   0.15000  1.0 3.0
   45    44    48    79  -0.11250  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   46    39    41    42   0.30150 -1.0 2.0
   46    39   -41    43   0.36750  1.0 3.0
   46    44    48    63   0.56750  1.0 1.0
   46    44    48    63  -0.07550 -1.0 2.0
   46    44    48    63   0.20000  1.0 3.0
   46    44    48    79  -0.95700  1.0 1.0
   46    44    48    79  -0.18200 -1.0 2.0
   46    44    48    79   0.29450  1.0 3.0
   46    44    48    51   0.56750  1.0 1.0
   46    44    48    51  -0.07550 -1.0 2.0
   46    44    48    51   0.20000  1.0 3.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    59   0.56750  1.0 1.0
   46    49    55    59  -0.07550 -1.0 2.0
   46    49    55    59   0.20000  1.0 3.0
   46    49    58    61  -0.25900  1.0 1.0
   46    49    58    61  -0.47000 -1.0 2.0
   46    49    58    61   0.11750  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    55   0.15000  1.0 3.0
   47    46    49    58   0.23400  1.0 3.0
   49    55    59    60   0.15000  1.0 3.0
   49    55    59    63   0.56750  1.0 1.0
   49    55    59    63  -0.07550 -1.0 2.0
   49    55    59    63   0.20000  1.0 3.0
   49    55    59    65   0.56750  1.0 1.0
   49    55    59    65  -0.07550 -1.0 2.0
   49    55    59    65   0.20000  1.0 3.0
   49    58    61    62   3.00000 -1.0 2.0
   49    58    61    69   1.63150  1.0 1.0
   49    58    61    69   2.92000 -1.0 2.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    59   0.15000  1.0 3.0
   50    49    58    61   0.08050  1.0 3.0
   55    49    58    61  -0.25900  1.0 1.0
   55    49    58    61  -0.47000 -1.0 2.0
   55    49    58    61   0.11750  1.0 3.0
   55    59    63    64   0.15000  1.0 3.0
   55    59    63    73   0.56750  1.0 1.0
   55    59    63    73  -0.07550 -1.0 2.0
   55    59    63    73   0.20000  1.0 3.0
   55    59    63    48   0.56750  1.0 1.0
   55    59    63    48  -0.07550 -1.0 2.0
   55    59    63    48   0.20000  1.0 3.0
   55    59    65    66   0.15000  1.0 3.0
   55    59    65    67   0.15000  1.0 3.0
   55    59    65    68   0.15000  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   56    55    59    65   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   57    55    59    65   0.15000  1.0 3.0
   59    63    73    74   0.15000  1.0 3.0
   59    63    73    75   0.15000  1.0 3.0
   59    63    73    76   0.56750  1.0 1.0
   59    63    73    76  -0.07550 -1.0 2.0
   59    63    73    76   0.20000  1.0 3.0
   59    63    48    44   0.56750  1.0 1.0
   59    63    48    44  -0.07550 -1.0 2.0
   59    63    48    44   0.20000  1.0 3.0
   59    63    48    79  -0.95700  1.0 1.0
   59    63    48    79  -0.18200 -1.0 2.0
   59    63    48    79   0.29450  1.0 3.0
   59    63    48    51   0.56750  1.0 1.0
   59    63    48    51  -0.07550 -1.0 2.0
   59    63    48    51   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    73   0.15000  1.0 3.0
   60    59    63    48   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    68   0.15000  1.0 3.0
   63    59    65    66   0.15000  1.0 3.0
   63    59    65    67   0.15000  1.0 3.0
   63    59    65    68   0.15000  1.0 3.0
   63    73    76    77   0.15000  1.0 3.0
   63    73    76    78   0.15000  1.0 3.0
   63    73   -76    79  -0.95700  1.0 1.0
   63    73   -76    79  -0.18200 -1.0 2.0
   63    73   -76    79   0.29450  1.0 3.0
   63    48    51    52   0.15000  1.0 3.0
   63    48    51    53   0.15000  1.0 3.0
   63    48    51    54   0.15000  1.0 3.0
   64    63    73    74   0.15000  1.0 3.0
   64    63    73    75   0.15000  1.0 3.0
   64    63    73    76   0.15000  1.0 3.0
   64    63    48    44   0.15000  1.0 3.0
   64    63    48    79  -0.11250  1.0 3.0
   64    63    48    51   0.15000  1.0 3.0
   73    63    48    44   0.56750  1.0 1.0
   73    63    48    44  -0.07550 -1.0 2.0
   73    63    48    44   0.20000  1.0 3.0
   73    63   -48    79  -0.95700  1.0 1.0
   73    63   -48    79  -0.18200 -1.0 2.0
   73    63   -48    79   0.29450  1.0 3.0
   73    63    48    51   0.56750  1.0 1.0
   73    63    48    51  -0.07550 -1.0 2.0
   73    63    48    51   0.20000  1.0 3.0
   73    76    79    80   0.30150 -1.0 2.0
   73    76   -79    48   0.60050  1.0 1.0
   73    76   -79    48   0.05600 -1.0 2.0
   73    76   -79    48   0.26150  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79  -0.11250  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79  -0.11250  1.0 3.0
   76    79    48    44   0.60050  1.0 1.0
   76    79    48    44   0.05600 -1.0 2.0
   76    79    48    44   0.26150  1.0 3.0
   76    79   -48    63   0.60050  1.0 1.0
   76    79   -48    63   0.05600 -1.0 2.0
   76    79   -48    63   0.26150  1.0 3.0
   76    79    48    51   0.60050  1.0 1.0
   76    79    48    51   0.05600 -1.0 2.0
   76    79    48    51   0.26150  1.0 3.0
   77    76    79    80   0.00000  1.0 1.0
   77    76    79    48   0.00000  1.0 1.0
   78    76    79    80   0.00000  1.0 1.0
   78    76    79    48   0.00000  1.0 1.0
   79    48    51    52  -0.11250  1.0 3.0
   79    48    51    53  -0.11250  1.0 3.0
   79    48    51    54  -0.11250  1.0 3.0
   80    79    48    44   0.30150 -1.0 2.0
   80    79    48    63   0.30150 -1.0 2.0
   80    79    48    51   0.30150 -1.0 2.0
   48    44    46    39   0.56750  1.0 1.0
   48    44    46    39  -0.07550 -1.0 2.0
   48    44    46    39   0.20000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.56750  1.0 1.0
   48    44    46    49  -0.07550 -1.0 2.0
   48    44    46    49   0.20000  1.0 3.0
   48    63    73    74   0.15000  1.0 3.0
   48    63    73    75   0.15000  1.0 3.0
   48    63   -73    76   0.56750  1.0 1.0
   48    63   -73    76  -0.07550 -1.0 2.0
   48    63   -73    76   0.20000  1.0 3.0
   65    59    63    64   0.15000  1.0 3.0
   65    59    63    73   0.56750  1.0 1.0
   65    59    63    73  -0.07550 -1.0 2.0
   65    59    63    73   0.20000  1.0 3.0
   65    59    63    48   0.56750  1.0 1.0
   65    59    63    48  -0.07550 -1.0 2.0
   65    59    63    48   0.20000  1.0 3.0
   58    49    55    56   0.23400  1.0 3.0
   58    49    55    57   0.23400  1.0 3.0
   58    49    55    59   0.62750  1.0 1.0
   58    49    55    59  -0.30950 -1.0 2.0
   58    49    55    59   0.27300  1.0 3.0
   58    61    69    70   0.00000  1.0 1.0
   58    61    69    71   0.00000  1.0 1.0
   58    61    69    72   0.00000  1.0 1.0
   62    61    69    70   0.00000  1.0 1.0
   62    61    69    71   0.00000  1.0 1.0
   62    61    69    72   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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   76    48    79    80  10.50000 -1.0 2.0
   58    69    61    62  10.50000 -1.0 2.0
END
