* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    155    238     453
    1     0 S   NP   _N1_     1    28.69831    97.33174   -22.65930
    2     1 S   H    _HN1     2     1.02949    65.19569    17.77737
    3     1 S   H    _H1_     3     1.02828    47.68694   166.88983
    4     1 S   H    _H2_     4     1.02788    99.99371   -87.95516
    5     1 S   CT   _CA1     5     1.50110   146.59833   107.60709
    6     5 S   HC   _HA1     6     1.09572   105.19307   102.05732
    7     5 S   CO3  _C1_     7     1.53789   112.48939   -18.18807
    8     7 S   O2Z  _O11     8     1.26372   115.00900   -42.10045
    9     7 S   O2Z  _O12     9     1.26241   114.94895   137.05887
   10     5 S   CT   _CB1    10     1.53079   107.42432  -139.94064
   11    10 S   HC   HB11    11     1.09833   109.38234   -49.56834
   12    10 S   HC   HB12    12     1.09812   110.44433    67.04787
   13    10 S   CT   _CG1    13     1.52989   112.59890  -170.53404
   14    13 S   HC   HG11    14     1.09580   110.64576   -65.74169
   15    13 S   HC   HG12    15     1.09671   109.76693    53.48706
   16    13 S   C    _CD1    16     1.51800   112.22059   173.96512
   17    16 S   O    _OE1    17     1.22733   123.26541     7.64919
   18    16 S   N    _N2_    18     1.38637   111.65329  -172.40679
   19    18 S   H    _HN2    19     1.01575   118.98792     1.72533
   20    18 S   CT1  _CA2    20     1.46260   123.48830   177.60952
   21    20 S   HC   _HA2    21     1.09738   109.28383     5.00030
   22    20 S   C    _C2_    22     1.53634   108.85135  -110.47345
   23    22 S   O    _O2_    23     1.23057   122.30566  -149.99704
   24    20 S   CT   _CB2    32     1.53352   111.43242   126.92755
   25    24 S   HC   HB21    33     1.09570   109.91718    55.87063
   26    24 S   HC   HB22    34     1.09458   110.07425   175.11737
   27    22 S   N    _N3_    24     1.38348   113.81861    37.57741
   28    27 S   H    _HN3    25     1.01553   119.58130    -3.37139
   29    24 S   S    _SG2    35     1.82884   111.32060   -64.99208
   30    27 S   CT   _CA3    26     1.45272   123.22070   177.12322
   31    30 S   HC   HA31    27     1.09549   107.52131   -64.57746
   32    30 S   HC   HA32    28     1.09558   107.98526    51.87103
   33    29 S   CT   _C23    36     1.83724    99.80396   170.48297
   34    33 S   HC   _H3_    37     1.09519   105.92507   -54.30479
   35    30 S   CO3  _C3_    29     1.52958   114.06322   173.87318
   36    35 S   O2Z  _O31    30     1.26379   116.07996    -0.19383
   37    35 S   O2Z  _O32    31     1.26426   114.41524   179.85735
   38    33 S   CM   _C12    38     1.53408   111.74853    67.30766
   39    33 S   CT   _C21    81     1.53090   108.79633  -167.88067
   40    39 S   HC   _H44    82     1.09575   112.64399   -58.21635
   41    39 S   HC   _H45    83     1.09610   110.54199  -178.76917
   42    39 S   HC   _H46    84     1.09633   110.89848    62.52144
   43    38 S   CMA  _C13    39     1.36804   122.08609  -114.50975
   44    43 S   OM   _O21    40     1.26891   125.56469     2.06763
   45    38 S   CT   _C19    77     1.51978   115.42203    67.30558
   46    45 S   HC   _H38    78     1.09389   111.14134   -51.97091
   47    45 S   HC   _H39    79     1.09366   113.83454  -171.56017
   48    45 S   HC   _H40    80     1.09458   110.17341    68.30566
   49    43 S   OS   _O27    41     1.41561   111.79668  -179.80021
   50    49 S   CT   _C17    42     1.44877   116.29179   134.06356
   51    50 S   HC   _H37    43     1.09751   110.87087    37.18649
   52    50 S   CT   _C14    44     1.55430   106.75212   -81.07261
   53    52 S   HC   _H33    45     1.09886   107.64438   -49.32929
   54    52 S   HC   _H34    46     1.09897   109.00421    61.36636
   55    50 S   CT   _C16    58     1.56227   106.80302   153.25101
   56    55 S   HC   _H36    59     1.09506   108.88263  -167.90775
   57    52 S   CT   _C18    47     1.54158   118.28077  -174.45978
   58    55 S   CM   _C8_    60     1.49480   113.20778   -49.60410
   59    57 S   CO4  _C9_    48     1.51455   110.59292   150.03445
   60    59 S   O    _O22    49     1.22058   126.34740    84.42322
   61    58 S   CO4  _C10    61     1.47004   110.29655   116.07013
   62    61 S   O    _O23    62     1.21795   126.94597  -176.64153
   63    58 S   CM   _C11    64     1.33647   127.91240   -64.44453
   64    63 S   HC   _H31    65     1.08498   120.75802     0.54357
   65    63 S   HC   _H32    66     1.08494   121.83008  -179.96044
   66    57 S   CT   _C20    73     1.51731   113.67593   -81.45489
   67    66 S   HC   _H41    74     1.09530   110.89294    61.98018
   68    66 S   HC   _H42    75     1.09475   111.55386   -59.36344
   69    66 S   HC   _H43    76     1.09616   110.94907  -179.64723
   70    59 S   CM   _C4_    50     1.46511   110.03857   -91.83268
   71    70 S   HC   _H29    51     1.07323   127.39872   159.84657
   72    81 S   OS   _O25    63     1.44614   107.69969   169.89689
   73    70 S   CM   _C7_    52     1.33010   100.34257   -10.45615
   74    73 S   CM   _C6_    53     1.44355   128.24990   165.72955
   75    57 S   OS   _O24    72     1.43194   110.14679    41.36209
   76    74 S   CM   _C5_    54     1.35233   120.58850  -113.53121
   77    76 S   HC   _H30    55     1.08902   118.02510  -179.41249
   78    74 S   CT   _C22    67     1.50327   117.20550    65.91566
   79    78 S   HC   _H47    68     1.09551   110.79178   -57.10739
   80    78 S   HC   _H48    69     1.09536   111.67492  -177.37274
   81    76 S   CT   _C15    56     1.52129   126.28201     4.07218
   82    81 S   HC   _H35    57     1.09453   108.20706    56.79799
   83    78 S   OH   _O26    70     1.42207   109.64514    62.99598
   84    83 S   HO   _H50    71     0.97226   107.03607  -179.66662
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4   1
   1   6   3   2   1   6   3   5   9  10   2   7   3   5   3   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    57    81    55    56    58  
   51    52    53    54    57    59    76    81    82    55    56    58    61    72    63    75    66  
   52    53    54    57    81    55    56    58  
   53    54    57    59    60    70    73    81    55    56    58    75    66    67    68    69  
   54    57    59    55    75    66  
   57    59    55    75    66  
   56    58    61    62    72    63    64    65    57    74    76    77    81    82  
   58    61    72    63    76    81    82  
   59    60    70    71    73    74    75    66    67    68    69  
   61    62    72    63    64    65    76    81    82  
   60    70    71    73    74    75    66    67    68    69  
   70    71    73    75    66  
   62    72    63    64    65    76    81    82  
   72    63    81  
   64    65    72    81  
   65  
    0  
   67    68    69    70    73    75  
   68    69    75  
   69    75  
   75  
   71    73    74    76    78    75  
   73    74    75  
   74    76    77    81    82  
   74    76    77    81    78    79    80    83    75  
   76    77    81    82    78    79    80    83    84    75  
   76    78  
   77    81    82    78    79    80    83  
   81    82    78  
   79    80    83    84    81  
   80    83    84  
   83    84  
   82  
    0  
   84  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    57   268.000  1.529
   57    59   317.000  1.522
   57    75   320.000  1.410
   57    66   268.000  1.529
   59    60   570.000  1.229
   59    70   320.000  1.462
   70    71   340.000  1.080
   70    73   549.000  1.340
   73    74   380.000  1.444
   73    75   440.000  1.360
   74    76   549.000  1.340
   74    78   317.000  1.510
   76    77   340.000  1.080
   76    81   317.000  1.510
   81    82   340.000  1.090
   81    55   268.000  1.529
   81    72   320.000  1.410
   55    56   340.000  1.090
   55    58   317.000  1.510
   58    61   320.000  1.462
   58    63   549.000  1.340
   61    62   570.000  1.229
   61    72   214.000  1.327
   63    64   340.000  1.080
   63    65   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   320.000  1.410
   83    84   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    55    81    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    58    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    57    59    63.00000  111.10000
   52    57    75    50.00000  109.50000
   52    57    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   57    52    53    37.50000  110.70000
   57    52    54    37.50000  110.70000
   57    59    60    80.00000  120.40000
   57    59    70    65.00000  118.62400
   57    75    73    90.00000  111.18400
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    69    37.50000  110.70000
   59    70    71    40.00000  117.72500
   59    70    73    65.00000  118.96000
   70    59    60    80.00000  123.72100
   70    73    74    70.00000  123.01800
   70    73    75    80.00000  120.01400
   73    70    71    35.00000  120.00000
   73    74    76    70.00000  123.01800
   73    74    78    70.00000  124.00000
   74    76    77    35.00000  120.00000
   74    76    81    70.00000  124.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    83    90.00000  110.39200
   76    81    82    35.00000  109.50000
   76    81    55    70.00000  112.02700
   76    81    72    85.00000  110.90400
   81    76    77    35.00000  117.00000
   81    55    56    37.50000  110.70000
   81    55    58    70.00000  112.02700
   81    72    61    83.00000  116.90000
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    81    82    37.50000  110.70000
   55    58    61    65.00000  116.34900
   55    58    63    70.00000  124.00000
   58    55    56    35.00000  109.50000
   58    61    62    80.00000  123.72100
   58    61    72    90.00000  111.29400
   58    63    64    35.00000  120.00000
   58    63    65    35.00000  120.00000
   72    81    82    35.00000  109.50000
   72    81    55    50.00000  109.50000
   72    61    62    83.00000  123.40000
   63    58    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
   78    74    76    70.00000  124.00000
   78    83    84    55.00000  108.50000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   75    57    59    90.00000  108.74100
   75    73    74    80.00000  120.01400
   66    57    59    63.00000  111.10000
   66    57    75    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    57   0.62750  1.0 1.0
   49    50    52    57  -0.30950 -1.0 2.0
   49    50    52    57   0.27300  1.0 3.0
   49    50    55    81   0.62750  1.0 1.0
   49    50    55    81  -0.30950 -1.0 2.0
   49    50    55    81   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    58   0.61850  1.0 1.0
   49    50    55    58  -0.22750 -1.0 2.0
   49    50    55    58   0.15300  1.0 3.0
   50    52    57    59  -0.95700  1.0 1.0
   50    52    57    59  -0.18200 -1.0 2.0
   50    52    57    59   0.29450  1.0 3.0
   50    52    57    75   0.62750  1.0 1.0
   50    52    57    75  -0.30950 -1.0 2.0
   50    52    57    75   0.27300  1.0 3.0
   50    52    57    66   0.56750  1.0 1.0
   50    52    57    66  -0.07550 -1.0 2.0
   50    52    57    66   0.20000  1.0 3.0
   50    55    58    61   0.09700  1.0 1.0
   50    55    58    61   0.15600 -1.0 2.0
   50    55    58    61  -0.50800  1.0 3.0
   50    55    58    63   0.09850  1.0 1.0
   50    55    58    63   0.15250 -1.0 2.0
   50    55    58    63  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    55    81   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    58   0.15000  1.0 3.0
   52    50    55    81   0.56750  1.0 1.0
   52    50    55    81  -0.07550 -1.0 2.0
   52    50    55    81   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    58   0.34400  1.0 1.0
   52    50    55    58   0.09450 -1.0 2.0
   52    50    55    58   0.11100  1.0 3.0
   52    57    59    60   0.30150 -1.0 2.0
   52    57    59    70   0.65300  1.0 1.0
   52    57    59    70  -0.03850 -1.0 2.0
   52    57    59    70   0.33900  1.0 3.0
   52    57    75    73  -0.46850  1.0 1.0
   52    57    75    73   0.09300 -1.0 2.0
   52    57    75    73  -0.12850  1.0 3.0
   52    57    66    67   0.15000  1.0 3.0
   52    57    66    68   0.15000  1.0 3.0
   52    57    66    69   0.15000  1.0 3.0
   53    52    57    59  -0.11250  1.0 3.0
   53    52    57    75   0.23400  1.0 3.0
   53    52    57    66   0.15000  1.0 3.0
   54    52    57    59  -0.11250  1.0 3.0
   54    52    57    75   0.23400  1.0 3.0
   54    52    57    66   0.15000  1.0 3.0
   57    59    70    71   0.04550  1.0 1.0
   57    59    70    71   0.83000 -1.0 2.0
   57    59    70    71  -0.04000  1.0 3.0
   57    59   -70    73  -0.33500  1.0 1.0
   57    59   -70    73   1.06600 -1.0 2.0
   57    59   -70    73  -0.14000  1.0 3.0
   59    57   -75    73  -0.48150  1.0 1.0
   59    57   -75    73   0.09250 -1.0 2.0
   59    57   -75    73  -0.12850  1.0 3.0
   59    57    66    67  -0.11250  1.0 3.0
   59    57    66    68  -0.11250  1.0 3.0
   59    57    66    69  -0.11250  1.0 3.0
   59    70    73    74   7.00000 -1.0 2.0
   59    70   -73    75   7.00000 -1.0 2.0
   60    59    70    71   0.00000  1.0 1.0
   60    59    70    73   1.00000 -1.0 2.0
   70    73    74    76   0.28850  1.0 1.0
   70    73    74    76   2.61350 -1.0 2.0
   70    73    74    76   0.78400  1.0 3.0
   70    73    74    78  -0.18600  1.0 3.0
   70    73   -75    57  -2.26850  1.0 1.0
   70    73   -75    57   3.39050 -1.0 2.0
   71    70    73    74   7.00000 -1.0 2.0
   71    70    73    75   7.00000 -1.0 2.0
   73    74    76    77   7.00000 -1.0 2.0
   73    74    76    81   7.00000 -1.0 2.0
   73    74    78    79   0.00000  1.0 1.0
   73    74    78    80   0.00000  1.0 1.0
   73    74    78    83  -0.17300  1.0 1.0
   73    74    78    83   0.35150 -1.0 2.0
   73    74    78    83   0.31550  1.0 3.0
   74    73    75    57  -2.26850  1.0 1.0
   74    73    75    57   3.39050 -1.0 2.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    55   0.09850  1.0 1.0
   74    76    81    55   0.15250 -1.0 2.0
   74    76    81    55  -0.50650  1.0 3.0
   74    76    81    72   0.39000  1.0 1.0
   74    76    81    72  -0.05800 -1.0 2.0
   74    76    81    72  -0.55150  1.0 3.0
   74    78    83    84  -0.07800  1.0 1.0
   74    78    83    84  -0.21500 -1.0 2.0
   74    78    83    84  -0.03150  1.0 3.0
   76    74    78    79   0.00000  1.0 1.0
   76    74    78    80   0.00000  1.0 1.0
   76    74    78    83   0.67800  1.0 1.0
   76    74    78    83   0.47050 -1.0 2.0
   76    74    78    83  -0.62500  1.0 3.0
   76    81    55    50   0.34400  1.0 1.0
   76    81    55    50   0.09450 -1.0 2.0
   76    81    55    50   0.11100  1.0 3.0
   76    81    55    56   0.15000  1.0 3.0
   76    81    55    58   0.31000  1.0 1.0
   76    81    55    58   0.14700 -1.0 2.0
   76    81    55    58   0.07550  1.0 3.0
   76    81    72    61  -0.82050  1.0 1.0
   76    81    72    61   0.00600 -1.0 2.0
   76    81    72    61   0.04400  1.0 3.0
   77    76    81    82   0.33100  1.0 3.0
   77    76    81    55   0.00000  1.0 1.0
   77    76    81    72   0.00000  1.0 1.0
   81    55   -58    61   0.09700  1.0 1.0
   81    55   -58    61   0.15600 -1.0 2.0
   81    55   -58    61  -0.50800  1.0 3.0
   81    55    58    63   0.09850  1.0 1.0
   81    55    58    63   0.15250 -1.0 2.0
   81    55    58    63  -0.50650  1.0 3.0
   82    81    55    50   0.15000  1.0 3.0
   82    81    55    56   0.15000  1.0 3.0
   82    81    55    58   0.15000  1.0 3.0
   82    81    72    61   0.08050  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    57   0.56750  1.0 1.0
   55    50    52    57  -0.07550 -1.0 2.0
   55    50    52    57   0.20000  1.0 3.0
   55    81   -72    61  -0.25900  1.0 1.0
   55    81   -72    61  -0.47000 -1.0 2.0
   55    81   -72    61   0.11750  1.0 3.0
   55    58    61    62  -0.64400  1.0 1.0
   55    58    61    62   0.26850 -1.0 2.0
   55    58   -61    72  -0.15000  1.0 1.0
   55    58   -61    72   0.89550 -1.0 2.0
   55    58   -61    72  -0.06900  1.0 3.0
   55    58    63    64   7.00000 -1.0 2.0
   55    58    63    65   7.00000 -1.0 2.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   58    61   -72    81   2.00000 -1.0 2.0
   61    58    63    64   7.00000 -1.0 2.0
   61    58    63    65   7.00000 -1.0 2.0
   62    61    72    81   3.00000 -1.0 2.0
   72    81    55    50   0.62750  1.0 1.0
   72    81    55    50  -0.30950 -1.0 2.0
   72    81    55    50   0.27300  1.0 3.0
   72    81    55    56   0.23400  1.0 3.0
   72    81   -55    58   0.61850  1.0 1.0
   72    81   -55    58  -0.22750 -1.0 2.0
   72    81   -55    58   0.15300  1.0 3.0
   63    58    61    62   1.00000 -1.0 2.0
   63    58    61    72  -0.56150  1.0 1.0
   63    58    61    72   2.19150 -1.0 2.0
   78    74    76    77   7.00000 -1.0 2.0
   78    74    76    81   7.00000 -1.0 2.0
   79    78    83    84   0.19450  1.0 3.0
   80    78    83    84   0.19450  1.0 3.0
   75    57    59    60   0.30150 -1.0 2.0
   75    57   -59    70   0.65300  1.0 1.0
   75    57   -59    70  -0.03850 -1.0 2.0
   75    57   -59    70   0.33900  1.0 3.0
   75    57    66    67   0.23400  1.0 3.0
   75    57    66    68   0.23400  1.0 3.0
   75    57    66    69   0.23400  1.0 3.0
   75    73    74    76  -0.51250  1.0 1.0
   75    73    74    76   1.23350 -1.0 2.0
   75    73    74    78   1.08500 -1.0 2.0
   66    57    59    60   0.30150 -1.0 2.0
   66    57    59    70   0.65300  1.0 1.0
   66    57    59    70  -0.03850 -1.0 2.0
   66    57    59    70   0.33900  1.0 3.0
   66    57    75    73  -0.46850  1.0 1.0
   66    57    75    73   0.09300 -1.0 2.0
   66    57    75    73  -0.12850  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   57    70    59    60  10.50000 -1.0 2.0
   59    71    70    73   1.10000 -1.0 2.0
   74    75    73    70   1.10000 -1.0 2.0
   73    78    74    76   1.10000 -1.0 2.0
   81    77    76    74   1.10000 -1.0 2.0
   55    61    58    63   1.10000 -1.0 2.0
   58    72    61    62  10.50000 -1.0 2.0
   64    65    63    58   1.10000 -1.0 2.0
END
