* LIGAND DATABASE FILE (OPLS2005)
*
001      85    86    157    233     453
    1     0 S   NP   _N1_     1    28.34634    98.31813   -22.67944
    2     1 S   H    _HN1     2     1.02957    64.39446    -1.08570
    3     1 S   H    _H1_     3     1.02835    45.58491   156.53610
    4     1 S   H    _H2_     4     1.02776   106.17544  -104.04487
    5     1 S   CT   _CA1     5     1.50127   140.36217    90.46685
    6     5 S   HC   _HA1     6     1.09574   105.21901   103.45279
    7     5 S   CO3  _C1_     7     1.53789   112.36981   -16.74665
    8     7 S   O2Z  _O11     8     1.26365   114.99786   -43.78061
    9     7 S   O2Z  _O12     9     1.26236   114.93342   135.33967
   10     5 S   CT   _CB1    10     1.53098   107.42484  -138.62866
   11    10 S   HC   HB11    11     1.09826   109.34291   -50.48332
   12    10 S   HC   HB12    12     1.09816   110.42193    66.07638
   13    10 S   CT   _CG1    13     1.53015   112.66501  -171.55492
   14    13 S   HC   HG11    14     1.09594   110.48722   -64.21268
   15    13 S   HC   HG12    15     1.09656   109.92270    54.98672
   16    13 S   C    _CD1    16     1.51840   112.32737   175.36240
   17    16 S   O    _OE1    17     1.22750   123.30091     0.06853
   18    16 S   N    _N2_    18     1.38579   111.70942  -179.94766
   19    18 S   H    _HN2    19     1.01565   118.94252     4.85954
   20    18 S   CT1  _CA2    20     1.45690   122.84018   177.87201
   21    20 S   HC   _HA2    21     1.09762   108.84789    22.99593
   22    20 S   C    _C2_    22     1.52886   107.74510   -93.78002
   23    22 S   O    _O2_    23     1.22895   123.19370   -27.11804
   24    20 S   CT   _CB2    32     1.53149   112.07007   146.21752
   25    24 S   HC   HB21    33     1.09532   110.77132    46.38845
   26    24 S   HC   HB22    34     1.09326   110.14126   165.65598
   27    22 S   N    _N3_    24     1.38587   112.10801   156.04948
   28    27 S   H    _HN3    25     1.01628   120.03182    -5.24370
   29    24 S   S    _SG2    35     1.82228   110.82359   -75.03724
   30    27 S   CT   _CA3    26     1.45344   123.01791   177.61222
   31    30 S   HC   HA31    27     1.09560   108.21172   -44.79358
   32    30 S   HC   HA32    28     1.09520   107.46156    71.78812
   33    29 S   CT   _C20    36     1.84190    99.44029  -172.43870
   34    33 S   HC   _H6_    37     1.09417   107.26361    32.00852
   35    30 S   CO3  _C3_    29     1.52939   113.72640  -167.31154
   36    35 S   O2Z  _O31    30     1.26408   115.91191   -15.28091
   37    35 S   O2Z  _O32    31     1.26349   114.64596   164.22275
   38    33 S   CM   _C18    38     1.53344   108.51165   151.04561
   39    33 S   CT   _C21    82     1.52939   110.10141   -83.28436
   40    39 S   HC   _H26    83     1.09563   112.57398   -56.46000
   41    39 S   HC   _H27    84     1.09526   110.53266  -177.01266
   42    39 S   HC   _H28    85     1.09562   111.09400    64.30570
   43    38 S   CMA  _C17    39     1.36891   122.94769  -102.00284
   44    43 S   OM   _O37    40     1.26914   124.86651   179.24541
   45    38 S   CT   _C19    78     1.52128   115.09542    78.03697
   46    45 S   HC   _H23    79     1.09447   110.92809   -50.75403
   47    45 S   HC   _H24    80     1.09414   113.56853  -170.49821
   48    45 S   HC   _H25    81     1.09491   110.13984    69.42345
   49    43 S   OS   _O36    41     1.41920   111.38317    -1.06128
   50    49 S   CT   _C14    42     1.43508   117.96009   168.00221
   51    50 S   HC   _H5_    43     1.09539   111.79635    41.03742
   52    50 S   CT   _C15    44     1.52666   109.69543   -85.35869
   53    52 S   HC   _H19    45     1.09644   110.39177   168.94426
   54    52 S   HC   _H20    46     1.09360   113.64592    46.65255
   55    52 S   CT   _C16    47     1.51949   103.16925   -73.31255
   56    55 S   HC   _H21    48     1.09443   111.70308    78.08835
   57    55 S   HC   _H22    49     1.09291   113.42619  -156.24097
   58    55 S   NP   _N4_    50     1.50510   103.41835   -38.94481
   59    58 S   H    _H3_    51     1.02887   108.70633   -98.14748
   60    58 S   CT   _C12    52     1.51099   117.45476   138.39933
   61    60 S   HC   _H17    53     1.09339   107.18910   113.82244
   62    60 S   HC   _H18    54     1.09140   109.62919    -6.11875
   63    60 S   CM   _C11    55     1.49225   105.99047  -126.84121
   64    63 S   HC   _H16    56     1.08075   123.24580  -174.53259
   65    63 S   CM   _C10    57     1.34052   111.88962     3.78993
   66    50 S   CT   _C13    58     1.54023   110.19145   162.75111
   67    66 S   HC   _H4_    59     1.09673   110.92390  -162.03217
   68    65 S   CT   _C9_    60     1.49005   126.42073  -176.26398
   69    68 S   HC   _H14    61     1.09592   109.44532   114.02732
   70    68 S   HC   _H15    62     1.09665   110.49957    -5.85772
   71    68 S   OS   _O35    63     1.43194   109.44771  -126.85764
   72    71 S   CO4  _C8_    64     1.35821   115.52682   171.19000
   73    72 S   O    _O34    65     1.22144   127.34992    -1.88336
   74    72 S   CM   _C6_    66     1.47838   109.05069  -179.86294
   75    74 S   CM   _C5_    67     1.34467   120.41353   -68.80935
   76    75 S   HC   _H10    68     1.08887   117.95711  -179.70792
   77    74 S   CT   _C7_    73     1.49695   116.00254   113.75008
   78    77 S   HC   _H11    74     1.09511   111.71996   179.33324
   79    77 S   HC   _H12    75     1.09505   110.44808    58.80163
   80    75 S   CT   _C4_    69     1.49605   127.77952    -0.52265
   81    80 S   HC   _H7_    70     1.09471   109.45762  -124.15483
   82    80 S   HC   _H8_    71     1.09393   109.90731   117.34601
   83    80 S   HC   _H9_    72     1.09282   113.53608    -4.04007
   84    77 S   OH   _O33    76     1.42101   109.53065   -60.82894
   85    84 S   HO   _H13    77     0.97208   107.08996  -176.96978
  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  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3
   7   5   1   6   3   2   5   9   3  11   9   5   5   3   2   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    66    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    58    65    66    67  
   51    52    53    54    55    56    57    58    59    60    63    65    66    67    68  
   52    53    54    55    58    65    66    67  
   53    54    55    56    57    58    59    60    65    66    67  
   54    55    56    57    58    66  
   55    56    57    58    66  
   56    57    58    59    60    61    62    63    65    66    67  
   57    58    59    60    66  
   58    59    60    66  
   59    60    61    62    63    64    65    66    67    68  
   60    61    62    63    65    66    67  
   61    62    63    64    65    66    67    68  
   62    63    64    65    66  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    68  
   66    67    68    69    70    71    72  
   67    68    69    70    71  
   68  
   69    70    71    72    73    74  
   70    71    72  
   71    72  
   72    73    74    75    77  
   73    74    75    76    80    77    78    79    84  
   74    75    77  
   75    76    80    81    82    83    77    78    79    84    85  
   76    80    81    82    83    77    78    79    84  
   80    81    82    83    77  
   78    79    84    85    80  
   79    84    85  
   84    85  
   81    82    83  
   82    83  
   83  
    0  
   85  
    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   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   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    66   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   367.000  1.471
   58    59   434.000  1.010
   58    60   367.000  1.471
   58    66   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   317.000  1.510
   65    68   317.000  1.510
   66    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   320.000  1.410
   71    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    80   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   320.000  1.410
   84    85   553.000  0.945
   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    66    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    66    58    80.00000  111.20000
   50    66    65    70.00000  112.02700
   50    66    67    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    80.00000  111.20000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    35.00000  109.50000
   55    58    60    75.00000  113.01200
   55    58    66    75.00000  113.01200
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    60    61    35.00000  109.50000
   58    60    62    35.00000  109.50000
   58    60    63    75.00000  110.06800
   58    66    65    75.00000  110.06800
   58    66    67    35.00000  109.50000
   60    58    59    35.00000  109.50000
   60    63    64    35.00000  117.00000
   60    63    65    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    70.00000  124.00000
   63    65    68    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  109.50000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    85.00000  110.90400
   66    50    51    37.50000  110.70000
   66    50    52    58.35000  112.70000
   66    58    59    35.00000  109.50000
   66    58    60    75.00000  113.01200
   68    65    66    65.00000  117.92700
   68    71    72    83.00000  116.90000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    72    73    83.00000  123.40000
   71    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    77    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    80    70.00000  124.00000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    84    90.00000  110.39200
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   80    75    76    35.00000  117.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   77    74    75    70.00000  124.00000
   77    84    85    55.00000  108.50000
   79    77    78    33.00000  107.80000
   84    77    78    35.00000  109.50000
   84    77    79    35.00000  109.50000
   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    66  -0.46850  1.0 1.0
   43    49    50    66   0.09300 -1.0 2.0
   43    49    50    66  -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    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    66    58   1.69300  1.0 1.0
   49    50    66    58  -0.48450 -1.0 2.0
   49    50    66    65   0.61850  1.0 1.0
   49    50    66    65  -0.22750 -1.0 2.0
   49    50    66    65   0.15300  1.0 3.0
   49    50    66    67   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.36600  1.0 1.0
   50    52   -55    58  -0.11450 -1.0 2.0
   50    52   -55    58   0.24250  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    55   0.15000  1.0 3.0
   51    50    66    58   0.19200  1.0 3.0
   51    50    66    65   0.15000  1.0 3.0
   51    50    66    67   0.15000  1.0 3.0
   52    50   -66    58   1.36600  1.0 1.0
   52    50   -66    58  -0.11450 -1.0 2.0
   52    50   -66    58   0.24250  1.0 3.0
   52    50    66    65   0.34400  1.0 1.0
   52    50    66    65   0.09450 -1.0 2.0
   52    50    66    65   0.11100  1.0 3.0
   52    50    66    67   0.15000  1.0 3.0
   52    55    58    59   0.17350  1.0 3.0
   52    55    58    60   0.47100  1.0 1.0
   52    55   -58    66   0.47100  1.0 1.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.19200  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.19200  1.0 3.0
   55    58    60    61   0.15000  1.0 3.0
   55    58    60    62   0.15000  1.0 3.0
   55    58    60    63   0.08000 -1.0 2.0
   55    58   -66    50   0.47100  1.0 1.0
   55    58    66    65   0.08000 -1.0 2.0
   55    58    66    67   0.15000  1.0 3.0
   56    55    58    59   0.13050  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    66   0.15000  1.0 3.0
   57    55    58    59   0.13050  1.0 3.0
   57    55    58    60   0.15000  1.0 3.0
   57    55    58    66   0.15000  1.0 3.0
   58    60    63    64   0.00000  1.0 1.0
   58    60   -63    65   0.80850  1.0 1.0
   58    60   -63    65  -0.47300 -1.0 2.0
   58    60   -63    65  -0.52300  1.0 3.0
   59    58    60    61   0.13050  1.0 3.0
   59    58    60    62   0.13050  1.0 3.0
   59    58    60    63   0.17350  1.0 3.0
   59    58    66    50   0.17350  1.0 3.0
   59    58    66    65   0.17350  1.0 3.0
   59    58    66    67   0.13050  1.0 3.0
   60    58    66    50   0.47100  1.0 1.0
   60    58   -66    65   0.08000 -1.0 2.0
   60    58    66    67   0.15000  1.0 3.0
   60    63   -65    66   7.00000 -1.0 2.0
   60    63    65    68   7.00000 -1.0 2.0
   61    60    63    64   0.33100  1.0 3.0
   61    60    63    65   0.00000  1.0 1.0
   62    60    63    64   0.33100  1.0 3.0
   62    60    63    65   0.00000  1.0 1.0
   63    65    66    50   0.09850  1.0 1.0
   63    65    66    50   0.15250 -1.0 2.0
   63    65    66    50  -0.50650  1.0 3.0
   63    65   -66    58   0.80850  1.0 1.0
   63    65   -66    58  -0.47300 -1.0 2.0
   63    65   -66    58  -0.52300  1.0 3.0
   63    65    66    67   0.00000  1.0 1.0
   63    65    68    69   0.00000  1.0 1.0
   63    65    68    70   0.00000  1.0 1.0
   63    65    68    71   0.39000  1.0 1.0
   63    65    68    71  -0.05800 -1.0 2.0
   63    65    68    71  -0.55150  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    68   7.00000 -1.0 2.0
   65    68    71    72  -0.82050  1.0 1.0
   65    68    71    72   0.00600 -1.0 2.0
   65    68    71    72   0.04400  1.0 3.0
   66    50    52    53   0.15000  1.0 3.0
   66    50    52    54   0.15000  1.0 3.0
   66    50   -52    55   0.56750  1.0 1.0
   66    50   -52    55  -0.07550 -1.0 2.0
   66    50   -52    55   0.20000  1.0 3.0
   66    58    60    61   0.15000  1.0 3.0
   66    58    60    62   0.15000  1.0 3.0
   66    58   -60    63   0.08000 -1.0 2.0
   66    65    68    69   0.34800  1.0 3.0
   66    65    68    70   0.34800  1.0 3.0
   66    65    68    71   0.09700  1.0 1.0
   66    65    68    71   0.15600 -1.0 2.0
   66    65    68    71  -0.50800  1.0 3.0
   68    65    66    50   0.46850  1.0 1.0
   68    65    66    50   0.08550 -1.0 2.0
   68    65    66    50   0.09800  1.0 3.0
   68    65    66    58   0.52100  1.0 1.0
   68    65    66    58  -0.20350 -1.0 2.0
   68    65    66    58   0.29750  1.0 3.0
   68    65    66    67   0.34800  1.0 3.0
   68    71    72    73   3.00000 -1.0 2.0
   68    71    72    74   2.00000 -1.0 2.0
   69    68    71    72   0.08050  1.0 3.0
   70    68    71    72   0.08050  1.0 3.0
   71    72    74    75  -0.56150  1.0 1.0
   71    72    74    75   2.19150 -1.0 2.0
   71    72    74    77  -0.15000  1.0 1.0
   71    72    74    77   0.89550 -1.0 2.0
   71    72    74    77  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    80   7.00000 -1.0 2.0
   72    74    77    78   0.15000  1.0 3.0
   72    74    77    79   0.15000  1.0 3.0
   72    74    77    84   0.09700  1.0 1.0
   72    74    77    84   0.15600 -1.0 2.0
   72    74    77    84  -0.50800  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    77  -0.64400  1.0 1.0
   73    72    74    77   0.26850 -1.0 2.0
   74    75    80    81   0.00000  1.0 1.0
   74    75    80    82   0.00000  1.0 1.0
   74    75    80    83   0.00000  1.0 1.0
   74    77    84    85  -0.07800  1.0 1.0
   74    77    84    85  -0.21500 -1.0 2.0
   74    77    84    85  -0.03150  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    84   0.67800  1.0 1.0
   75    74    77    84   0.47050 -1.0 2.0
   75    74    77    84  -0.62500  1.0 3.0
   76    75    80    81   0.33100  1.0 3.0
   76    75    80    82   0.33100  1.0 3.0
   76    75    80    83   0.33100  1.0 3.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    80   7.00000 -1.0 2.0
   78    77    84    85   0.19450  1.0 3.0
   79    77    84    85   0.19450  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
    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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   60    64    63    65   1.10000 -1.0 2.0
   66    68    65    63   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    77    74    75  15.00000 -1.0 2.0
   80    76    75    74  15.00000 -1.0 2.0
END
