* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    155    230     459
    1     0 S   NP   _N1_     1    28.77760    96.81728   -20.69790
    2     1 S   H    _HN1     2     1.02862    73.30987     9.15483
    3     1 S   H    _H1_     3     1.02931    43.57658   149.36622
    4     1 S   H    _H2_     4     1.02806    93.76016   -98.71262
    5     1 S   CT   _CA1     5     1.50489   149.61303   112.78972
    6     5 S   HC   _HA1     6     1.09692   104.58231    88.76401
    7     5 S   CO3  _C1_     7     1.54266   110.79230   -27.32631
    8     7 S   O2Z  _O11     8     1.26038   116.62351  -110.02711
    9     7 S   O2Z  _O12     9     1.26623   113.79378    68.55517
   10     5 S   CT   _CB1    10     1.53083   106.98009  -155.39640
   11    10 S   HC   HB11    11     1.09847   109.61050   -44.86732
   12    10 S   HC   HB12    12     1.09768   110.49588    71.76642
   13    10 S   CT   _CG1    13     1.53003   112.35289  -165.41160
   14    13 S   HC   HG11    14     1.09525   110.96391   -63.72666
   15    13 S   HC   HG12    15     1.09662   109.63931    55.41500
   16    13 S   C    _CD1    16     1.51860   112.11995   175.49559
   17    16 S   O    _OE1    17     1.22732   123.31392     6.00221
   18    16 S   N    _N2_    18     1.38583   111.67728  -174.01208
   19    18 S   H    _HN2    19     1.01531   118.79187     1.60010
   20    18 S   CT1  _CA2    20     1.46336   123.58736   178.19041
   21    20 S   HC   _HA2    21     1.09729   109.41151    -1.11715
   22    20 S   C    _C2_    22     1.53428   108.60071  -116.66863
   23    22 S   O    _O2_    23     1.23037   122.33140  -148.62603
   24    20 S   CT   _CB2    32     1.53297   111.23802   120.99867
   25    24 S   HC   HB21    33     1.09570   109.61088    55.09909
   26    24 S   HC   HB22    34     1.09483   110.83510   174.18864
   27    22 S   N    _N3_    24     1.38324   113.59810    38.63091
   28    27 S   H    _HN3    25     1.01603   119.49409    -3.26848
   29    24 S   S    _SG2    35     1.82755   110.96559   -66.07823
   30    27 S   CT   _CA3    26     1.45267   123.23482   177.78592
   31    30 S   HC   HA31    27     1.09542   107.42663   -67.37097
   32    30 S   HC   HA32    28     1.09559   108.10066    49.11574
   33    29 S   CT   _C18    36     1.83708    99.69529   158.38636
   34    33 S   HC   _H7_    37     1.09600   107.79467   -40.75292
   35    30 S   CO3  _C3_    29     1.52950   114.03267   171.12068
   36    35 S   O2Z  _O31    30     1.26374   116.05639    -1.62196
   37    35 S   O2Z  _O32    31     1.26425   114.42224   178.45161
   38    33 S   CM   _C19    38     1.50506   108.89052    79.37618
   39    38 S   HC   _H23    39     1.08849   117.34148    62.40419
   40    33 S   CT   _C17    46     1.53525   109.93512  -159.25112
   41    40 S   HC   _H21    47     1.09753   110.82702  -177.11120
   42    40 S   HC   _H22    48     1.09795   111.22454   -59.07513
   43    38 S   CM   _C20    40     1.34184   123.57431  -118.11651
   44    43 S   HC   _H24    41     1.08705   119.69552     0.30261
   45    40 S   CO4  _C16    49     1.51200   112.65570    62.59936
   46    45 S   O    _O36    50     1.22381   123.77717  -121.25059
   47    43 S   CT   _C21    42     1.49288   123.84841  -179.87180
   48    47 S   HC   _H25    43     1.09426   109.88331  -120.37209
   49    47 S   HC   _H26    44     1.09424   109.89764   120.50765
   50    47 S   HC   _H27    45     1.09456   112.29853     0.05935
   51    45 S   OS   _O35    51     1.36213   110.13614    58.85945
   52    51 S   CT   _C14    52     1.44353   117.08823  -173.51366
   53    52 S   HC   _H6_    53     1.09661   109.85167    38.73293
   54    52 S   CO4  _C15    54     1.51955   102.51692   155.87571
   55    54 S   O    _O33    55     1.22465   124.31508    51.61916
   56    52 S   CT   _C13    70     1.53905   109.67605   -85.13717
   57    56 S   HC   _H19    71     1.09712   109.16413    48.75075
   58    56 S   HC   _H20    72     1.09848   109.69017   -65.95354
   59    54 S   OS   _O34    56     1.36536   109.86034  -130.19930
   60    59 S   CT   _C7_    57     1.44846   118.45746  -166.57443
   61    60 S   HC   _H3_    58     1.09701   110.70974    14.00769
   62    60 S   CT   _C8_    59     1.55534   108.79206   132.83139
   63    62 S   HC   _H4_    60     1.09773   107.24778   175.86128
   64    60 S   CT   _C6_    77     1.53916   108.72406  -106.19288
   65    64 S   HC   _H13    78     1.09683   109.16791  -173.09658
   66    64 S   HC   _H14    79     1.09655   109.88594   -55.52011
   67    62 S   CT   _C9_    61     1.55209   115.33540   -64.42596
   68    67 S   HC   _H5_    62     1.09677   109.55887   177.14707
   69    62 S   OH   _O38    75     1.42896   109.27628    60.66050
   70    69 S   HO   _H29    76     0.97301   108.37715  -171.22645
   71    64 S   CT   _C5_    80     1.53099   112.93282    65.35187
   72    71 S   HC   _H11    81     1.09518   110.19479   -64.03804
   73    71 S   HC   _H12    82     1.09589   110.00532    54.21287
   74    67 S   CM   _C10    63     1.50555   112.78911    57.93686
   75    74 S   HC   _H15    64     1.08798   115.25265    62.85475
   76    67 S   OH   _O37    73     1.42607   109.04380   -65.68004
   77    76 S   HO   _H28    74     0.97226   107.57034   -63.43708
   78    71 S   CT   _C4_    83     1.52077   111.29210   175.16033
   79    78 S   HC   _H8_    84     1.09467   110.91994   -63.14173
   80    78 S   HC   _H9_    85     1.09439   110.32370   177.10524
   81    78 S   HC   _H10    86     1.09358   111.03017    57.12402
   82    74 S   CM   _C11    65     1.34212   125.93771  -109.84140
   83    82 S   HC   _H16    66     1.08681   120.27527    -5.64083
   84    82 S   CT   _C12    67     1.49915   122.63243   166.43403
   85    84 S   HC   _H17    68     1.09680   111.23842    12.80058
   86    84 S   HC   _H18    69     1.09628   108.44114   129.72240
  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
  12   7   2   1   1  11   4   7   4   3   5   4   6   2   3   2
   1   1   9  12   7  10   3   9   5   4  10  16   8  14   7  11
   5   4  10   6   3   1   6   5   4   8   4   2   1   3   2   1
   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    51  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    50    40    41    42    45  
   43    44    47    40  
   41    42    45    46    51    52    43  
   42    45    46    51  
   45    46    51  
   44    47    48    49    50  
   47    48    49    50  
   46    51    52    53    54    56  
   51    52  
   48    49    50  
   49    50  
   50  
    0  
   52    53    54    55    59    84    56    57    58  
   53    54    55    59    60    82    84    85    86    56    57    58  
   54    55    59    84    56    57    58  
   55    59    60    61    62    84    56    57    58    64  
   59    60    56  
   57    58    59    74    82    83    84    85    86  
   58    82    84    85    86  
   82    84    85    86  
   60    61    62    63    67    69    64    65    66    71  
   61    62    63    67    68    74    76    69    70    64    65    66    71    72    73    78  
   62    63    67    69    64    65    66    71  
   63    67    68    74    75    82    76    77    69    70    64    65    66    71  
   67    68    74    76    69    70    64  
   65    66    71    72    73    78    79    80    81    67    69  
   66    71    72    73    78  
   71    72    73    78  
   68    74    75    82    83    84    76    77    69    70  
   74    75    82    76    77    69  
   70    74    76  
    0  
   72    73    78    79    80    81  
   73    78    79    80    81  
   78    79    80    81  
   75    82    83    84    85    86    76    77  
   82    83    84    76  
   77    82  
    0  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   38    39   340.000  1.080
   38    43   549.000  1.340
   43    44   340.000  1.080
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    51   214.000  1.327
   51    52   320.000  1.410
   52    53   340.000  1.090
   52    54   317.000  1.522
   52    56   268.000  1.529
   54    55   570.000  1.229
   54    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   62    69   320.000  1.410
   67    68   340.000  1.090
   67    74   317.000  1.510
   67    76   320.000  1.410
   74    75   340.000  1.080
   74    82   549.000  1.340
   82    83   340.000  1.080
   82    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   76    77   553.000  0.945
   69    70   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    43    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  120.00000
   38    43    47    70.00000  124.00000
   43    38    39    35.00000  120.00000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    50    35.00000  109.50000
   47    43    44    35.00000  117.00000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    45    46    80.00000  120.40000
   40    45    51    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    51    52    83.00000  116.90000
   51    45    46    83.00000  123.40000
   51    52    53    35.00000  109.50000
   51    52    54    90.00000  108.74100
   51    52    56    50.00000  109.50000
   52    54    55    80.00000  120.40000
   52    54    59    81.00000  111.40000
   52    56    84    58.35000  112.70000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   54    52    53    35.00000  109.50000
   54    59    60    83.00000  116.90000
   59    54    55    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   59    60    64    50.00000  109.50000
   60    62    63    37.50000  110.70000
   60    62    67    58.35000  112.70000
   60    62    69    50.00000  109.50000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    71    58.35000  112.70000
   62    60    61    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    74    70.00000  112.02700
   62    67    76    50.00000  109.50000
   62    69    70    55.00000  108.50000
   67    62    63    37.50000  110.70000
   67    74    75    35.00000  117.00000
   67    74    82    70.00000  124.00000
   67    76    77    55.00000  108.50000
   74    67    68    35.00000  109.50000
   74    82    83    35.00000  120.00000
   74    82    84    70.00000  124.00000
   82    74    75    35.00000  120.00000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    56    70.00000  112.02700
   84    82    83    35.00000  117.00000
   84    56    57    37.50000  110.70000
   84    56    58    37.50000  110.70000
   86    84    85    33.00000  107.80000
   56    52    53    37.50000  110.70000
   56    52    54    63.00000  111.10000
   56    84    85    37.50000  110.70000
   56    84    86    37.50000  110.70000
   58    56    57    33.00000  107.80000
   76    67    68    35.00000  109.50000
   76    67    74    90.00000  110.39200
   69    62    63    35.00000  109.50000
   69    62    67    50.00000  109.50000
   64    60    61    37.50000  110.70000
   64    60    62    58.35000  112.70000
   64    71    72    37.50000  110.70000
   64    71    73    37.50000  110.70000
   64    71    78    58.35000  112.70000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   73    71    72    33.00000  107.80000
   78    71    72    37.50000  110.70000
   78    71    73    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   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    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    47   7.00000 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    51   0.36750  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45  -0.98800  1.0 1.0
   38    33    40    45   0.48800 -1.0 2.0
   38    33    40    45   0.76800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    50   0.00000  1.0 1.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    47   7.00000 -1.0 2.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    47    49   0.33100  1.0 3.0
   44    43    47    50   0.33100  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   40    45    51    52   1.63150  1.0 1.0
   40    45    51    52   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    51   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    51   0.00000  1.0 1.0
   45    51    52    53   0.08050  1.0 3.0
   45    51    52    54  -1.80650  1.0 1.0
   45    51    52    54   0.63900 -1.0 2.0
   45    51    52    54   0.03650  1.0 3.0
   45    51    52    56  -0.25900  1.0 1.0
   45    51    52    56  -0.47000 -1.0 2.0
   45    51    52    56   0.11750  1.0 3.0
   46    45    51    52   3.00000 -1.0 2.0
   51    52    54    55   0.30150 -1.0 2.0
   51    52    54    59   0.40000  1.0 3.0
   51    52    56    84   0.62750  1.0 1.0
   51    52    56    84  -0.30950 -1.0 2.0
   51    52    56    84   0.27300  1.0 3.0
   51    52    56    57   0.23400  1.0 3.0
   51    52    56    58   0.23400  1.0 3.0
   52    54    59    60   1.63150  1.0 1.0
   52    54    59    60   2.92000 -1.0 2.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    59   0.00000  1.0 1.0
   53    52    56    84   0.15000  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   54    52    56    84  -0.95700  1.0 1.0
   54    52    56    84  -0.18200 -1.0 2.0
   54    52    56    84   0.29450  1.0 3.0
   54    52    56    57  -0.11250  1.0 3.0
   54    52    56    58  -0.11250  1.0 3.0
   54    59    60    61   0.08050  1.0 3.0
   54    59    60    62  -0.25900  1.0 1.0
   54    59    60    62  -0.47000 -1.0 2.0
   54    59    60    62   0.11750  1.0 3.0
   54    59    60    64  -0.25900  1.0 1.0
   54    59    60    64  -0.47000 -1.0 2.0
   54    59    60    64   0.11750  1.0 3.0
   55    54    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    67   0.62750  1.0 1.0
   59    60    62    67  -0.30950 -1.0 2.0
   59    60    62    67   0.27300  1.0 3.0
   59    60    62    69   3.69350  1.0 1.0
   59    60    62    69  -1.82950 -1.0 2.0
   59    60    64    65   0.23400  1.0 3.0
   59    60    64    66   0.23400  1.0 3.0
   59    60    64    71   0.62750  1.0 1.0
   59    60    64    71  -0.30950 -1.0 2.0
   59    60    64    71   0.27300  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    74   0.34400  1.0 1.0
   60    62    67    74   0.09450 -1.0 2.0
   60    62    67    74   0.11100  1.0 3.0
   60    62    67    76   0.86500  1.0 1.0
   60    62    67    76  -0.17500 -1.0 2.0
   60    62    67    76   0.20800  1.0 3.0
   60    62    69    70  -0.11600  1.0 1.0
   60    62    69    70  -0.09450 -1.0 2.0
   60    62    69    70   0.21250  1.0 3.0
   60    64    71    72   0.15000  1.0 3.0
   60    64    71    73   0.15000  1.0 3.0
   60    64    71    78   0.56750  1.0 1.0
   60    64    71    78  -0.07550 -1.0 2.0
   60    64    71    78   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    62    69   0.23400  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    71   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    71   0.56750  1.0 1.0
   62    60    64    71  -0.07550 -1.0 2.0
   62    60    64    71   0.20000  1.0 3.0
   62    67    74    75   0.00000  1.0 1.0
   62    67    74    82   0.09850  1.0 1.0
   62    67    74    82   0.15250 -1.0 2.0
   62    67    74    82  -0.50650  1.0 3.0
   62    67    76    77  -0.11600  1.0 1.0
   62    67    76    77  -0.09450 -1.0 2.0
   62    67    76    77   0.21250  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    74   0.15000  1.0 3.0
   63    62    67    76   0.23400  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   67    62    69    70  -0.11600  1.0 1.0
   67    62    69    70  -0.09450 -1.0 2.0
   67    62    69    70   0.21250  1.0 3.0
   67    74    82    83   7.00000 -1.0 2.0
   67    74    82    84   7.00000 -1.0 2.0
   68    67    74    75   0.33100  1.0 3.0
   68    67    74    82   0.00000  1.0 1.0
   68    67    76    77   0.19450  1.0 3.0
   74    67    76    77  -0.07800  1.0 1.0
   74    67    76    77  -0.21500 -1.0 2.0
   74    67    76    77  -0.03150  1.0 3.0
   74    82    84    85   0.00000  1.0 1.0
   74    82    84    86   0.00000  1.0 1.0
   74    82    84    56   0.09850  1.0 1.0
   74    82    84    56   0.15250 -1.0 2.0
   74    82    84    56  -0.50650  1.0 3.0
   75    74    82    83   7.00000 -1.0 2.0
   75    74    82    84   7.00000 -1.0 2.0
   82    84    56    52   0.34400  1.0 1.0
   82    84    56    52   0.09450 -1.0 2.0
   82    84    56    52   0.11100  1.0 3.0
   82    84    56    57   0.15000  1.0 3.0
   82    84    56    58   0.15000  1.0 3.0
   83    82    84    85   0.33100  1.0 3.0
   83    82    84    86   0.33100  1.0 3.0
   83    82    84    56   0.00000  1.0 1.0
   85    84    56    52   0.15000  1.0 3.0
   85    84    56    57   0.15000  1.0 3.0
   85    84    56    58   0.15000  1.0 3.0
   86    84    56    52   0.15000  1.0 3.0
   86    84    56    57   0.15000  1.0 3.0
   86    84    56    58   0.15000  1.0 3.0
   56    52    54    55   0.30150 -1.0 2.0
   56    52    54    59   0.36750  1.0 3.0
   76    67    74    75   0.00000  1.0 1.0
   76    67    74    82   0.67800  1.0 1.0
   76    67    74    82   0.47050 -1.0 2.0
   76    67    74    82  -0.62500  1.0 3.0
   69    62    67    68   0.23400  1.0 3.0
   69    62    67    74   1.05650  1.0 1.0
   69    62    67    74   0.15600 -1.0 2.0
   69    62    67    74   0.53150  1.0 3.0
   69    62    67    76   3.75450  1.0 1.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    67   0.56750  1.0 1.0
   64    60    62    67  -0.07550 -1.0 2.0
   64    60    62    67   0.20000  1.0 3.0
   64    60    62    69   0.86500  1.0 1.0
   64    60    62    69  -0.17500 -1.0 2.0
   64    60    62    69   0.20800  1.0 3.0
   64    71    78    79   0.15000  1.0 3.0
   64    71    78    80   0.15000  1.0 3.0
   64    71    78    81   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    73   0.15000  1.0 3.0
   65    64    71    78   0.15000  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    73   0.15000  1.0 3.0
   66    64    71    78   0.15000  1.0 3.0
   72    71    78    79   0.15000  1.0 3.0
   72    71    78    80   0.15000  1.0 3.0
   72    71    78    81   0.15000  1.0 3.0
   73    71    78    79   0.15000  1.0 3.0
   73    71    78    80   0.15000  1.0 3.0
   73    71    78    81   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    43  15.00000 -1.0 2.0
   47    44    43    38  15.00000 -1.0 2.0
   40    51    45    46  10.50000 -1.0 2.0
   52    59    54    55  10.50000 -1.0 2.0
   67    75    74    82   1.10000 -1.0 2.0
   84    83    82    74   1.10000 -1.0 2.0
END
