* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    257     474
    1     0 S   NP   _N1_     1    28.69800    95.37421   -22.39392
    2     1 S   H    _HN1     2     1.02895    74.67895    17.24603
    3     1 S   H    _H1_     3     1.02830    37.07054   167.17792
    4     1 S   H    _H2_     4     1.02784   101.93702   -88.87961
    5     1 S   CT   _CA1     5     1.50050   140.65071   120.78815
    6     5 S   HC   _HA1     6     1.09578   105.11058    85.68631
    7     5 S   CO3  _C1_     7     1.53785   112.56328   -34.37558
    8     7 S   O2Z  _O11     8     1.26363   115.00723   -39.92470
    9     7 S   O2Z  _O12     9     1.26233   114.96952   139.23497
   10     5 S   CT   _CB1    10     1.53137   107.56372  -156.39291
   11    10 S   HC   HB11    11     1.09823   109.35499   -49.81123
   12    10 S   HC   HB12    12     1.09730   110.54329    66.86859
   13    10 S   CT   _CG1    13     1.52980   112.40492  -170.80046
   14    13 S   HC   HG11    14     1.09581   110.63278   -68.87020
   15    13 S   HC   HG12    15     1.09689   109.61020    50.18687
   16    13 S   C    _CD1    16     1.51817   112.46937   170.74641
   17    16 S   O    _OE1    17     1.22726   123.32466    13.03882
   18    16 S   N    _N2_    18     1.38680   111.49885  -167.35485
   19    18 S   H    _HN2    19     1.01598   118.88901     0.19077
   20    18 S   CT1  _CA2    20     1.46116   123.59623   175.84819
   21    20 S   HC   _HA2    21     1.09553   109.21271    -2.50780
   22    20 S   C    _C2_    22     1.53531   108.52611  -117.34870
   23    22 S   O    _O2_    23     1.23041   122.27813  -149.21605
   24    20 S   CT   _CB2    32     1.53292   111.59515   120.26462
   25    24 S   HC   HB21    33     1.09650   109.64023    56.88289
   26    24 S   HC   HB22    34     1.09472   111.29466   174.37740
   27    22 S   N    _N3_    24     1.38332   113.59874    38.39296
   28    27 S   H    _HN3    25     1.01605   119.51792    -3.60940
   29    24 S   S    _SG2    35     1.82917   113.62654   -62.53752
   30    27 S   CT   _CA3    26     1.45280   123.28051   177.02362
   31    30 S   HC   HA31    27     1.09547   107.55540   -63.77091
   32    30 S   HC   HA32    28     1.09554   107.94635    52.68019
   33    29 S   CT   _C16    36     1.82532   100.10230   -73.88705
   34    33 S   HC   _H3_    37     1.09699   107.75305    54.64337
   35    30 S   CO3  _C3_    29     1.52970   114.02144   174.66201
   36    35 S   O2Z  _O31    30     1.26384   116.04087     0.14671
   37    35 S   O2Z  _O32    31     1.26418   114.42905  -179.81129
   38    33 S   CT   _C14    38     1.52525   117.33128   -68.97316
   39    38 S   HC   _H36    39     1.09572   109.73134    90.32103
   40    38 S   CO4  _C8_    40     1.50736   100.95923  -154.92991
   41    40 S   O    _O21    41     1.22151   125.45200  -161.81514
   42    38 S   CT   _C20    80     1.52376   117.36635   -36.66176
   43    42 S   HC   _H40    81     1.09547   111.85563   -52.14074
   44    42 S   HC   _H41    82     1.09597   110.49420  -171.26232
   45    42 S   HC   _H42    83     1.09401   111.49910    69.49412
   46    40 S   OS   _O23    42     1.36560   110.25024    19.87082
   47    33 S   CO   _C17    43     1.52334   111.69250   172.92390
   48    47 S   HC   _H39    44     1.09905   112.57548    43.80958
   49    47 S   OS   _O25    45     1.43002   108.77930   -78.84494
   50    49 S   CM   _C9_    46     1.36844   113.29514  -177.67830
   51    50 S   HC   _H28    47     1.08158   114.89826   -19.61059
   52    50 S   CM   _C6_    48     1.33460   121.92466   161.12776
   53    52 S   CO4  _C7_    49     1.47138   122.12486  -179.09648
   54    53 S   O    _O20    50     1.21763   126.89661    -8.62045
   55    53 S   OS   _O22    51     1.36096   107.22695   171.91563
   56    55 S   CT   _C15    52     1.44790   111.98172    -6.28004
   57    56 S   HC   _H37    53     1.09476   106.92630  -104.77728
   58    52 S   CT   _C13    54     1.47940   128.39776    -1.49829
   59    58 S   HC   _H35    55     1.09483   113.46520   -42.19000
   60    58 S   CM   _C4_    56     1.49660   114.02155    85.66494
   61    60 S   HC   _H27    57     1.08171   123.54550   -63.86169
   62    60 S   CM   _C5_    58     1.33766   111.55909   122.98580
   63    62 S   CT   _C10    59     1.48937   127.80060   169.00524
   64    63 S   HC   _H29    60     1.09486   111.23197     4.12559
   65    63 S   HC   _H30    61     1.09567   109.84598   122.17875
   66    63 S   CT   _C11    62     1.53162   109.19881  -116.94137
   67    66 S   HC   _H31    63     1.09711   109.31603    74.02534
   68    66 S   HC   _H32    64     1.09638   109.31233  -170.10896
   69    66 S   CT   _C12    65     1.53876   113.30237   -47.91911
   70    69 S   HC   _H33    66     1.09767   108.70683   174.68917
   71    69 S   HC   _H34    67     1.09762   108.32299   -70.81725
   72    69 S   CT   _C19    68     1.56435   113.90066    51.71993
   73    56 S   CT   _C18    69     1.55128   111.44357   131.10803
   74    72 S   CT   _C21    72     1.54453   107.90486  -173.36803
   75    74 S   HC   _H43    73     1.09501   111.40834   179.30818
   76    74 S   HC   _H44    74     1.09529   111.80610    58.65948
   77    74 S   HC   _H45    75     1.09622   110.97729   -60.91018
   78    72 S   CT   _C22    76     1.54706   108.87903    70.38358
   79    78 S   HC   _H46    77     1.09492   111.58332   174.23966
   80    78 S   HC   _H47    78     1.09647   110.74767    55.30286
   81    78 S   HC   _H48    79     1.09390   112.64180   -64.55499
   82    73 S   OH   _O24    70     1.42967   108.67692    17.80603
   83    82 S   HO   _H49    71     0.97030   109.28920  -167.25533
  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
  14   8   2   1   1  11   8   9   3   5   2   1   1   4   5   2
   5   9   3  11   8   3   9  14   7   8   4   9   3  13  11   6
   5   9   5   4  13   5   4  11  10   8   3   2   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    47    48    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    49    50    42    43    44    45  
   38    39    40    46    47    48    49    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    49    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    50  
   48    49    50    51    52  
   49    50  
   50    51    52    53    58  
   51    52    53    54    55    56    58    59    60  
   52    53    58  
   53    54    55    56    57    58    59    60    61    62    73  
   54    55    56    57    58    59    60    73  
   55    56    58  
   56    57    58    59    60    62    72    73    82  
   57    58    59    60    61    62    63    69    72    73    82    83    74    78  
   58    59    60    62    72    73    82  
   59    60    61    62    63    72    73    82  
   60    61    62    73  
   61    62    63    64    65    66    72    73    82  
   62    63    73  
   63    64    65    66    67    68    69    72    73    82    83    74    78  
   64    65    66    67    68    69    70    71    72    73    82  
   65    66    67    68    69    73  
   66    67    68    69    73  
   67    68    69    70    71    72    73    74    78  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    82    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   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    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    47   250.000  1.527
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   214.000  1.327
   46    47   320.000  1.380
   47    48   340.000  1.090
   47    49   320.000  1.380
   49    50   440.000  1.360
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    58   317.000  1.510
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    73   268.000  1.529
   58    59   340.000  1.090
   58    60   317.000  1.510
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   317.000  1.510
   62    73   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   268.000  1.529
   72    78   268.000  1.529
   73    82   320.000  1.410
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    81.00000  111.40000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    95.00000  111.08000
   46    40    41    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    75.00000  109.43000
   47    49    50    85.00000  113.97000
   49    47    48    35.00000  109.50000
   49    50    51    55.00000  109.52600
   49    50    52    80.00000  120.01400
   50    52    53    65.00000  118.96000
   50    52    58    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    55    90.00000  111.29400
   52    58    56    70.00000  112.02700
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  110.12100
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   55    56    73    50.00000  109.50000
   56    58    59    37.50000  110.70000
   56    58    60    70.00000  112.02700
   56    73    62    70.00000  112.02700
   56    73    72    58.35000  112.70000
   56    73    82    50.00000  109.50000
   58    52    53    65.00000  116.34900
   58    56    57    37.50000  110.70000
   58    60    61    35.00000  117.00000
   58    60    62    70.00000  124.00000
   60    58    59    35.00000  109.50000
   60    62    63    70.00000  124.00000
   60    62    73    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    73    72    70.00000  112.02700
   62    73    82    90.00000  110.39200
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    82    50.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   73    56    57    37.50000  110.70000
   73    56    58    58.35000  112.70000
   73    62    63    65.00000  117.92700
   73    82    83    55.00000  108.50000
   74    72    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    58.35000  112.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.36750  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    47    49    50  -0.46850  1.0 1.0
   33    47    49    50   0.09300 -1.0 2.0
   33    47    49    50  -0.12850  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    47    46   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.23400  1.0 3.0
   38    33   -47    46   0.62750  1.0 1.0
   38    33   -47    46  -0.30950 -1.0 2.0
   38    33   -47    46   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.62750  1.0 1.0
   38    33    47    49  -0.30950 -1.0 2.0
   38    33    47    49   0.27300  1.0 3.0
   38    40   -46    47   1.63150  1.0 1.0
   38    40   -46    47   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33  -2.60950  1.0 1.0
   40    46   -47    33   1.40200 -1.0 2.0
   40    46   -47    33   0.21950  1.0 3.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -1.83450  1.0 1.0
   40    46    47    49  -0.02700 -1.0 2.0
   40    46    47    49  -0.20100  1.0 3.0
   41    40    46    47   3.00000 -1.0 2.0
   46    47    49    50  -0.48150  1.0 1.0
   46    47    49    50   0.09250 -1.0 2.0
   46    47    49    50  -0.12850  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40  -0.95700  1.0 1.0
   47    33   -38    40  -0.18200 -1.0 2.0
   47    33   -38    40   0.29450  1.0 3.0
   47    33    38    42   3.97050  1.0 1.0
   47    49    50    51   0.50000 -1.0 2.0
   47    49    50    52  -2.26850  1.0 1.0
   47    49    50    52   3.39050 -1.0 2.0
   48    47    49    50   0.08050  1.0 3.0
   49    50    52    53   7.00000 -1.0 2.0
   49    50    52    58   7.00000 -1.0 2.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52    53    55  -0.56150  1.0 1.0
   50    52    53    55   2.19150 -1.0 2.0
   50    52    58    56   0.09850  1.0 1.0
   50    52    58    56   0.15250 -1.0 2.0
   50    52    58    56  -0.50650  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60  -0.28300  1.0 1.0
   50    52    58    60   0.26700 -1.0 2.0
   50    52    58    60  -0.63300  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    58   7.00000 -1.0 2.0
   52    53   -55    56   2.00000 -1.0 2.0
   52    58    60    61   0.00000  1.0 1.0
   52    58    60    62  -0.28300  1.0 1.0
   52    58    60    62   0.26700 -1.0 2.0
   52    58    60    62  -0.63300  1.0 3.0
   53    52   -58    56   0.09700  1.0 1.0
   53    52   -58    56   0.15600 -1.0 2.0
   53    52   -58    56  -0.50800  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.09700  1.0 1.0
   53    52    58    60   0.15600 -1.0 2.0
   53    52    58    60  -0.50800  1.0 3.0
   53    55    56    57   0.08050  1.0 3.0
   53    55   -56    58  -0.25900  1.0 1.0
   53    55   -56    58  -0.47000 -1.0 2.0
   53    55   -56    58   0.11750  1.0 3.0
   53    55    56    73  -0.25900  1.0 1.0
   53    55    56    73  -0.47000 -1.0 2.0
   53    55    56    73   0.11750  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   55    56   -58    52   0.61850  1.0 1.0
   55    56   -58    52  -0.22750 -1.0 2.0
   55    56   -58    52   0.15300  1.0 3.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.61850  1.0 1.0
   55    56    58    60  -0.22750 -1.0 2.0
   55    56    58    60   0.15300  1.0 3.0
   55    56    73    62   0.61850  1.0 1.0
   55    56    73    62  -0.22750 -1.0 2.0
   55    56    73    62   0.15300  1.0 3.0
   55    56    73    72   0.62750  1.0 1.0
   55    56    73    72  -0.30950 -1.0 2.0
   55    56    73    72   0.27300  1.0 3.0
   55    56    73    82   3.69350  1.0 1.0
   55    56    73    82  -1.82950 -1.0 2.0
   56    58    60    61   0.00000  1.0 1.0
   56    58   -60    62   0.09850  1.0 1.0
   56    58   -60    62   0.15250 -1.0 2.0
   56    58   -60    62  -0.50650  1.0 3.0
   56    73    82    83  -0.11600  1.0 1.0
   56    73    82    83  -0.09450 -1.0 2.0
   56    73    82    83   0.21250  1.0 3.0
   57    56    58    52   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    73    62   0.15000  1.0 3.0
   57    56    73    72   0.15000  1.0 3.0
   57    56    73    82   0.23400  1.0 3.0
   58    52    53    54  -0.64400  1.0 1.0
   58    52    53    54   0.26850 -1.0 2.0
   58    52   -53    55  -0.15000  1.0 1.0
   58    52   -53    55   0.89550 -1.0 2.0
   58    52   -53    55  -0.06900  1.0 3.0
   58    56   -73    62   0.34400  1.0 1.0
   58    56   -73    62   0.09450 -1.0 2.0
   58    56   -73    62   0.11100  1.0 3.0
   58    56    73    72   0.56750  1.0 1.0
   58    56    73    72  -0.07550 -1.0 2.0
   58    56    73    72   0.20000  1.0 3.0
   58    56    73    82   0.86500  1.0 1.0
   58    56    73    82  -0.17500 -1.0 2.0
   58    56    73    82   0.20800  1.0 3.0
   58    60    62    63   7.00000 -1.0 2.0
   58    60   -62    73   7.00000 -1.0 2.0
   59    58    60    61   0.33100  1.0 3.0
   59    58    60    62   0.00000  1.0 1.0
   60    62    63    64   0.00000  1.0 1.0
   60    62    63    65   0.00000  1.0 1.0
   60    62    63    66   0.09850  1.0 1.0
   60    62    63    66   0.15250 -1.0 2.0
   60    62    63    66  -0.50650  1.0 3.0
   60    62   -73    56   0.09850  1.0 1.0
   60    62   -73    56   0.15250 -1.0 2.0
   60    62   -73    56  -0.50650  1.0 3.0
   60    62    73    72   0.09850  1.0 1.0
   60    62    73    72   0.15250 -1.0 2.0
   60    62    73    72  -0.50650  1.0 3.0
   60    62    73    82   0.67800  1.0 1.0
   60    62    73    82   0.47050 -1.0 2.0
   60    62    73    82  -0.62500  1.0 3.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    73   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.15000  1.0 3.0
   62    63    66    69   0.34400  1.0 1.0
   62    63    66    69   0.09450 -1.0 2.0
   62    63    66    69   0.11100  1.0 3.0
   62    73    82    83  -0.07800  1.0 1.0
   62    73    82    83  -0.21500 -1.0 2.0
   62    73    82    83  -0.03150  1.0 3.0
   63    62    73    56   0.46850  1.0 1.0
   63    62    73    56   0.08550 -1.0 2.0
   63    62    73    56   0.09800  1.0 3.0
   63    62    73    72   0.46850  1.0 1.0
   63    62    73    72   0.08550 -1.0 2.0
   63    62    73    72   0.09800  1.0 3.0
   63    62    73    82   0.18000  1.0 1.0
   63    62    73    82   0.16450 -1.0 2.0
   63    62    73    82   0.04450  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   66    69    72    78   0.56750  1.0 1.0
   66    69    72    78  -0.07550 -1.0 2.0
   66    69    72    78   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    73    56   0.56750  1.0 1.0
   69    72    73    56  -0.07550 -1.0 2.0
   69    72    73    56   0.20000  1.0 3.0
   69    72   -73    62   0.34400  1.0 1.0
   69    72   -73    62   0.09450 -1.0 2.0
   69    72   -73    62   0.11100  1.0 3.0
   69    72    73    82   0.86500  1.0 1.0
   69    72    73    82  -0.17500 -1.0 2.0
   69    72    73    82   0.20800  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   72    73    82    83  -0.11600  1.0 1.0
   72    73    82    83  -0.09450 -1.0 2.0
   72    73    82    83   0.21250  1.0 3.0
   73    56    58    52   0.34400  1.0 1.0
   73    56    58    52   0.09450 -1.0 2.0
   73    56    58    52   0.11100  1.0 3.0
   73    56    58    59   0.15000  1.0 3.0
   73    56   -58    60   0.34400  1.0 1.0
   73    56   -58    60   0.09450 -1.0 2.0
   73    56   -58    60   0.11100  1.0 3.0
   73    62    63    64   0.34800  1.0 3.0
   73    62    63    65   0.34800  1.0 3.0
   73    62   -63    66   0.46850  1.0 1.0
   73    62   -63    66   0.08550 -1.0 2.0
   73    62   -63    66   0.09800  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    73    56   0.56750  1.0 1.0
   74    72    73    56  -0.07550 -1.0 2.0
   74    72    73    56   0.20000  1.0 3.0
   74    72    73    62   0.34400  1.0 1.0
   74    72    73    62   0.09450 -1.0 2.0
   74    72    73    62   0.11100  1.0 3.0
   74    72    73    82   0.86500  1.0 1.0
   74    72    73    82  -0.17500 -1.0 2.0
   74    72    73    82   0.20800  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    73    56   0.56750  1.0 1.0
   78    72    73    56  -0.07550 -1.0 2.0
   78    72    73    56   0.20000  1.0 3.0
   78    72    73    62   0.34400  1.0 1.0
   78    72    73    62   0.09450 -1.0 2.0
   78    72    73    62   0.11100  1.0 3.0
   78    72    73    82   0.86500  1.0 1.0
   78    72    73    82  -0.17500 -1.0 2.0
   78    72    73    82   0.20800  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.36750  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   49    51    50    52   1.10000 -1.0 2.0
   53    58    52    50   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   58    61    60    62   1.10000 -1.0 2.0
   63    73    62    60   1.10000 -1.0 2.0
END
