* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    164    245     469
    1     0 S   NP   _N1_     1    29.46127    92.32935   -25.01286
    2     1 S   H    _HN1     2     1.03035   101.03435    20.03452
    3     1 S   H    _H1_     3     1.02826     7.32697   166.32164
    4     1 S   H    _H2_     4     1.02780   106.67784   -92.80348
    5     1 S   CT   _CA1     5     1.50253   117.45961   140.30096
    6     5 S   HC   _HA1     6     1.09546   105.38664    64.03566
    7     5 S   CO3  _C1_     7     1.53845   112.28403   -56.55967
    8     7 S   O2Z  _O11     8     1.26383   115.06111   -43.41453
    9     7 S   O2Z  _O12     9     1.26234   114.89669   135.74965
   10     5 S   CT   _CB1    10     1.52892   107.16759  -177.80750
   11    10 S   HC   HB11    11     1.09820   109.59743   -48.48676
   12    10 S   HC   HB12    12     1.09589   109.79359    67.97413
   13    10 S   CT   _CG1    13     1.52978   113.59435  -170.29984
   14    13 S   HC   HG11    14     1.09558   110.42894   -57.36228
   15    13 S   HC   HG12    15     1.09573   110.39749    62.22228
   16    13 S   C    _CD1    16     1.51867   111.22215  -177.64084
   17    16 S   O    _OE1    17     1.22790   122.99845   -15.08914
   18    16 S   N    _N2_    18     1.38532   112.21520   165.14762
   19    18 S   H    _HN2    19     1.01570   119.35258     2.77855
   20    18 S   CT1  _CA2    20     1.46140   122.80266  -175.22940
   21    20 S   HC   _HA2    21     1.09601   109.21439   -10.61463
   22    20 S   C    _C2_    22     1.53354   108.97218  -126.15169
   23    22 S   O    _O2_    23     1.23030   122.11653  -147.85643
   24    20 S   CT   _CB2    32     1.53501   111.64504   111.22865
   25    24 S   HC   HB21    33     1.09662   109.46149    65.48383
   26    24 S   HC   HB22    34     1.09571   110.94478  -177.24764
   27    22 S   N    _N3_    24     1.38476   113.48286    39.63427
   28    27 S   H    _HN3    25     1.01521   118.91329    -0.57946
   29    24 S   S    _SG2    35     1.82745   114.52249   -53.81110
   30    27 S   CT   _CA3    26     1.45440   123.37988   174.99422
   31    30 S   HC   HA31    27     1.09529   109.15705    26.11973
   32    30 S   HC   HA32    28     1.09494   107.15142   143.11795
   33    29 S   CT   _C21    36     1.82419   100.09380   -71.84216
   34    33 S   HC   _H20    37     1.09452   108.39667   -64.22601
   35    33 S   HC   _H21    38     1.09213   110.28866    53.00022
   36    30 S   CO3  _C3_    29     1.52927   113.13250   -97.29155
   37    36 S   O2Z  _O31    30     1.26400   115.40753   -44.46786
   38    36 S   O2Z  _O32    31     1.26354   114.97984   136.44993
   39    33 S   CM   _C19    39     1.50215   109.10491   174.09279
   40    39 S   CMA  _C20    40     1.34984   127.39823    99.07193
   41    40 S   OM   _O37    41     1.26289   128.01909     2.42285
   42    40 S   OS   _O36    42     1.42024   109.68352  -177.01338
   43    42 S   CT   _C17    43     1.44255   107.06106    11.94271
   44    43 S   HC   _H6_    44     1.08672   106.01370  -140.28029
   45    43 S   CM   _C16    45     1.51268   108.91426   100.48626
   46    45 S   HC   _H19    46     1.09032   113.85716   -54.63963
   47    39 S   CT   _C18    61     1.50607   120.68594   -80.93132
   48    47 S   HC   _H7_    62     1.09635   110.00716    47.12511
   49    45 S   CM   _C15    47     1.35027   128.49085   128.08473
   50    49 S   CT   _C14    48     1.51978   126.98496    -3.28265
   51    50 S   HC   _H5_    49     1.09779   107.74525  -153.27744
   52    49 S   CT   _C22    84     1.50970   119.13322   176.24819
   53    52 S   HC   _H22    85     1.09496   110.27100   118.60655
   54    52 S   HC   _H23    86     1.09514   112.58069    -1.52393
   55    52 S   HC   _H24    87     1.09503   110.20297  -121.48955
   56    50 S   CT   _C13    50     1.53861   114.99874    87.20533
   57    56 S   HC   _H17    51     1.09743   108.76664    69.84476
   58    56 S   HC   _H18    52     1.09611   109.44378  -174.30147
   59    50 S   OH   _O38    82     1.42439   111.30292   -39.62892
   60    59 S   HO   _H25    83     0.97199   107.75389  -173.75232
   61    56 S   C3T  _C12    53     1.49761   114.13557   -49.94690
   62    61 S   HC   _H4_    54     1.08201   111.87047    73.70498
   63    61 S   C3T  _C11    55     1.52513   125.22341   -83.76552
   64    63 S   CT   _C10    56     1.51282   118.80187   161.42093
   65    64 S   HC   _H15    57     1.09715   107.76576   150.80449
   66    64 S   HC   _H16    58     1.09548   109.38905    36.36041
   67    61 S   O3T  _O35    77     1.43173   114.38672  -151.13192
   68    63 S   CT   _C23    78     1.50095   122.48179    -2.39286
   69    68 S   HC   _H26    79     1.09414   112.40645   -31.38346
   70    68 S   HC   _H27    80     1.09526   110.46343  -150.85069
   71    68 S   HC   _H28    81     1.09292   111.07852    89.43700
   72    64 S   CT   _C9_    59     1.54292   116.32836   -86.33801
   73    72 S   HC   _H3_    60     1.09762   106.10567   178.03626
   74    72 S   OS   _O34    63     1.44377   110.16117   -65.05962
   75    74 S   CO4  _C8_    64     1.35650   118.23071   -82.56501
   76    75 S   O    _O33    65     1.22085   127.16835     0.98913
   77    75 S   CM   _C6_    66     1.48431   108.22714  -178.78340
   78    77 S   CM   _C5_    67     1.34452   120.46246  -133.67568
   79    78 S   HC   _H11    68     1.08911   117.81487  -177.86531
   80    77 S   CT   _C7_    73     1.50022   116.79992    48.30850
   81    80 S   HC   _H12    74     1.09481   110.66498   -71.25625
   82    80 S   HC   _H13    75     1.09514   110.46089    48.98484
   83    80 S   HC   _H14    76     1.09518   111.90757   168.63114
   84    78 S   CT   _C4_    69     1.49574   128.08663     3.96936
   85    84 S   HC   _H8_    70     1.09402   109.97334  -109.66279
   86    84 S   HC   _H9_    71     1.09503   109.34551   131.79808
   87    84 S   HC   _H10    72     1.09256   113.49758    12.42250
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4  10   4
  12  14   7   5   2   1   1  10   6   5   2   1  11   4  11  11
   6   5   5   4   2   1   1   5   2   5   9   3  10   9   5   4
   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    72    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    72    73    47    48    74  
   41    42    43    44    45    72    47    48  
   42    43    47  
   43    44    45    46    49    72    47    48  
   44    45    46    49    50    64    72    73    47    48    74    52  
   45    46    49    72    47    48  
   46    49    50    51    56    72    47    48    59    52    53    54    55  
   49    50    47    52  
   48    74    75    49    63    64    65    66    72    73  
   74    64    72    73  
   50    51    56    57    58    61    59    60    52    53    54    55  
   51    56    57    58    61    62    63    67    59    60    52    53    54    55  
   56    57    58    61    59    60    52  
   53    54    55    56    59  
   54    55  
   55  
    0  
   57    58    61    62    63    64    67    68    59    60  
   58    61    62    63    67    59  
   61    62    63    67    59  
   60    61  
    0  
   62    63    64    65    66    72    67    68    69    70    71  
   63    64    67    68  
   64    65    66    72    73    74    67    68    69    70    71  
   65    66    72    73    74    75    67    68    69    70    71  
   66    72    73    74    67    68  
   72    73    74    67    68  
   68    69    70    71    72  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75  
   75    76    77    78    80  
   76    77    78    79    84    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    86    87    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87  
   86    87  
   87  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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   3.5000   0.0660  -0.180000   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
   87   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   275.000  1.510
   61    62   340.000  1.088
   61    63   260.000  1.509
   61    67   335.000  1.432
   63    64   275.000  1.510
   63    67   335.000  1.432
   63    68   275.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    72   268.000  1.529
   72    73   340.000  1.090
   72    47   268.000  1.529
   72    74   320.000  1.410
   47    48   340.000  1.090
   74    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    84   317.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   59    60   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    72    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    72    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    52    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    56    70.00000  112.02700
   49    50    59    90.00000  110.39200
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    70.00000  112.37300
   50    59    60    55.00000  108.50000
   56    50    51    37.50000  110.70000
   56    61    62    40.00000  115.04500
   56    61    63    60.00000  120.94000
   56    61    67    80.00000  116.47100
   58    56    57    33.00000  107.80000
   61    56    57    45.00000  109.38400
   61    56    58    45.00000  109.38400
   61    63    64    60.00000  120.94000
   61    63    67    15.00000   60.43100
   61    63    68    60.00000  120.94000
   61    67    63    15.00000   59.14900
   63    61    62    37.50000  117.20000
   63    64    65    45.00000  109.38400
   63    64    66    45.00000  109.38400
   63    64    72    70.00000  112.37300
   63    68    69    45.00000  109.38400
   63    68    70    45.00000  109.38400
   63    68    71    45.00000  109.38400
   64    72    73    37.50000  110.70000
   64    72    47    58.35000  112.70000
   64    72    74    50.00000  109.50000
   66    64    65    33.00000  107.80000
   72    64    65    37.50000  110.70000
   72    64    66    37.50000  110.70000
   72    47    48    37.50000  110.70000
   72    74    75    83.00000  116.90000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    72    73    37.50000  110.70000
   74    72    73    35.00000  109.50000
   74    72    47    50.00000  109.50000
   74    75    76    83.00000  123.40000
   74    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    80    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    84    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    35.00000  109.50000
   78    84    86    35.00000  109.50000
   78    84    87    35.00000  109.50000
   84    78    79    35.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    77    78    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    61    62    50.00000  114.27700
   67    61    63    15.00000   60.43100
   67    63    64    80.00000  116.47100
   68    63    64    58.35000  112.70000
   68    63    67    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    56    50.00000  109.50000
   52    49    50    65.00000  117.92700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    72   0.46850  1.0 1.0
   33    39    47    72   0.08550 -1.0 2.0
   33    39    47    72   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    72   0.09850  1.0 1.0
   40    39    47    72   0.15250 -1.0 2.0
   40    39    47    72  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    72   0.62750  1.0 1.0
   42    43    47    72  -0.30950 -1.0 2.0
   42    43    47    72   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    52   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    72   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    72   0.34400  1.0 1.0
   45    43    47    72   0.09450 -1.0 2.0
   45    43    47    72   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    56   0.09850  1.0 1.0
   45    49    50    56   0.15250 -1.0 2.0
   45    49    50    56  -0.50650  1.0 3.0
   45    49    50    59   0.67800  1.0 1.0
   45    49    50    59   0.47050 -1.0 2.0
   45    49    50    59  -0.62500  1.0 3.0
   45    49    52    53   0.00000  1.0 1.0
   45    49    52    54   0.00000  1.0 1.0
   45    49    52    55   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    52   7.00000 -1.0 2.0
   49    50    56    57   0.15000  1.0 3.0
   49    50    56    58   0.15000  1.0 3.0
   49    50    56    61   0.34400  1.0 1.0
   49    50    56    61   0.09450 -1.0 2.0
   49    50    56    61   0.11100  1.0 3.0
   49    50    59    60  -0.07800  1.0 1.0
   49    50    59    60  -0.21500 -1.0 2.0
   49    50    59    60  -0.03150  1.0 3.0
   50    49    52    53   0.34800  1.0 3.0
   50    49    52    54   0.34800  1.0 3.0
   50    49    52    55   0.34800  1.0 3.0
   50    56    61    62   0.15000  1.0 3.0
   50    56    61    63   0.07850  1.0 1.0
   50    56    61    63  -0.03950 -1.0 2.0
   50    56    61    63   0.67350  1.0 3.0
   50    56    61    67   0.02550  1.0 1.0
   50    56    61    67  -0.02600 -1.0 2.0
   50    56    61    67   1.20400  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    61   0.15000  1.0 3.0
   51    50    59    60   0.19450  1.0 3.0
   56    50    59    60  -0.11600  1.0 1.0
   56    50    59    60  -0.09450 -1.0 2.0
   56    50    59    60   0.21250  1.0 3.0
   56    61    63    64   0.56750  1.0 1.0
   56    61    63    64  -0.07550 -1.0 2.0
   56    61    63    64   0.20000  1.0 3.0
   56    61   -63    67   0.02550  1.0 1.0
   56    61   -63    67  -0.02600 -1.0 2.0
   56    61   -63    67   1.20400  1.0 3.0
   56    61    63    68   0.56750  1.0 1.0
   56    61    63    68  -0.07550 -1.0 2.0
   56    61    63    68   0.20000  1.0 3.0
   56    61   -67    63   0.06250  1.0 1.0
   56    61   -67    63  -0.01100 -1.0 2.0
   56    61   -67    63   0.28050  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    67   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    63   0.15000  1.0 3.0
   58    56    61    67   0.23400  1.0 3.0
   61    63    64    65   0.15000  1.0 3.0
   61    63    64    66   0.15000  1.0 3.0
   61    63    64    72   0.07850  1.0 1.0
   61    63    64    72  -0.03950 -1.0 2.0
   61    63    64    72   0.67350  1.0 3.0
   61    63    68    69   0.15000  1.0 3.0
   61    63    68    70   0.15000  1.0 3.0
   61    63    68    71   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61   -63    67   0.23400  1.0 3.0
   62    61    63    68   0.15000  1.0 3.0
   62    61   -67    63   0.36800  1.0 3.0
   63    64    72    73   0.15000  1.0 3.0
   63    64    72    47   0.47050  1.0 1.0
   63    64    72    47   0.03900 -1.0 2.0
   63    64    72    47   0.20100  1.0 3.0
   63    64    72    74  -0.26800  1.0 1.0
   63    64    72    74   0.69150 -1.0 2.0
   63    64    72    74  -0.48750  1.0 3.0
   64    63   -67    61   0.06250  1.0 1.0
   64    63   -67    61  -0.01100 -1.0 2.0
   64    63   -67    61   0.28050  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    71   0.15000  1.0 3.0
   64    72    47    39   0.34400  1.0 1.0
   64    72    47    39   0.09450 -1.0 2.0
   64    72    47    39   0.11100  1.0 3.0
   64    72    47    43   0.56750  1.0 1.0
   64    72    47    43  -0.07550 -1.0 2.0
   64    72    47    43   0.20000  1.0 3.0
   64    72    47    48   0.15000  1.0 3.0
   64    72    74    75  -0.25900  1.0 1.0
   64    72    74    75  -0.47000 -1.0 2.0
   64    72    74    75   0.11750  1.0 3.0
   65    64    72    73   0.15000  1.0 3.0
   65    64    72    47   0.15000  1.0 3.0
   65    64    72    74   0.23400  1.0 3.0
   66    64    72    73   0.15000  1.0 3.0
   66    64    72    47   0.15000  1.0 3.0
   66    64    72    74   0.23400  1.0 3.0
   72    74    75    76   3.00000 -1.0 2.0
   72    74    75    77   2.00000 -1.0 2.0
   73    72    47    39   0.15000  1.0 3.0
   73    72    47    43   0.15000  1.0 3.0
   73    72    47    48   0.15000  1.0 3.0
   73    72    74    75   0.08050  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   47    72    74    75  -0.25900  1.0 1.0
   47    72    74    75  -0.47000 -1.0 2.0
   47    72    74    75   0.11750  1.0 3.0
   74    72    47    39   0.61850  1.0 1.0
   74    72    47    39  -0.22750 -1.0 2.0
   74    72    47    39   0.15300  1.0 3.0
   74    72    47    43   0.62750  1.0 1.0
   74    72    47    43  -0.30950 -1.0 2.0
   74    72    47    43   0.27300  1.0 3.0
   74    72    47    48   0.23400  1.0 3.0
   74    75    77    78  -0.56150  1.0 1.0
   74    75    77    78   2.19150 -1.0 2.0
   74    75    77    80  -0.15000  1.0 1.0
   74    75    77    80   0.89550 -1.0 2.0
   74    75    77    80  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    84   7.00000 -1.0 2.0
   75    77    80    81   0.15000  1.0 3.0
   75    77    80    82   0.15000  1.0 3.0
   75    77    80    83   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    80  -0.64400  1.0 1.0
   76    75    77    80   0.26850 -1.0 2.0
   77    78    84    85   0.00000  1.0 1.0
   77    78    84    86   0.00000  1.0 1.0
   77    78    84    87   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   79    78    84    85   0.33100  1.0 3.0
   79    78    84    86   0.33100  1.0 3.0
   79    78    84    87   0.33100  1.0 3.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    84   7.00000 -1.0 2.0
   67    61   -63    64   0.02550  1.0 1.0
   67    61   -63    64  -0.02600 -1.0 2.0
   67    61   -63    64   1.20400  1.0 3.0
   67    61   -63    68   0.02550  1.0 1.0
   67    61   -63    68  -0.02600 -1.0 2.0
   67    61   -63    68   1.20400  1.0 3.0
   67    63    64    65   0.23400  1.0 3.0
   67    63    64    66   0.23400  1.0 3.0
   67    63    64    72   0.02550  1.0 1.0
   67    63    64    72  -0.02600 -1.0 2.0
   67    63    64    72   1.20400  1.0 3.0
   67    63    68    69   0.23400  1.0 3.0
   67    63    68    70   0.23400  1.0 3.0
   67    63    68    71   0.23400  1.0 3.0
   68    63    64    65   0.15000  1.0 3.0
   68    63    64    66   0.15000  1.0 3.0
   68    63    64    72   0.56750  1.0 1.0
   68    63    64    72  -0.07550 -1.0 2.0
   68    63    64    72   0.20000  1.0 3.0
   68    63   -67    61   0.06250  1.0 1.0
   68    63   -67    61  -0.01100 -1.0 2.0
   68    63   -67    61   0.28050  1.0 3.0
   59    50    56    57   0.23400  1.0 3.0
   59    50    56    58   0.23400  1.0 3.0
   59    50    56    61   0.86500  1.0 1.0
   59    50    56    61  -0.17500 -1.0 2.0
   59    50    56    61   0.20800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    56   0.46850  1.0 1.0
   52    49    50    56   0.08550 -1.0 2.0
   52    49    50    56   0.09800  1.0 3.0
   52    49    50    59   0.18000  1.0 1.0
   52    49    50    59   0.16450 -1.0 2.0
   52    49    50    59   0.04450  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
   37    30    36    38  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    52    49    45   1.10000 -1.0 2.0
   74    77    75    76  10.50000 -1.0 2.0
   75    80    77    78  15.00000 -1.0 2.0
   84    79    78    77  15.00000 -1.0 2.0
END
