* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    160    254     482
    1     0 S   NP   _N1_     1    28.70304    94.04047   -21.95966
    2     1 S   H    _HN1     2     1.02781    92.97422   -89.97524
    3     1 S   H    _H1_     3     1.02952    89.45184    18.38590
    4     1 S   H    _H2_     4     1.02833    28.82471   147.12720
    5     1 S   CT   _CA1     5     1.50126   139.39677   140.01420
    6     5 S   HC   _HA1     6     1.09566   105.22619    62.94178
    7     5 S   CO3  _C1_     7     1.53815   112.35122   -57.36464
    8     7 S   O2Z  _O11     8     1.26377   114.99461   -42.09531
    9     7 S   O2Z  _O12     9     1.26211   115.00040   137.05341
   10     5 S   CT   _CB1    10     1.53100   107.42790  -178.95264
   11    10 S   HC   HB11    11     1.09819   109.48301   -47.83625
   12    10 S   HC   HB12    12     1.09816   110.44033    68.84090
   13    10 S   CT   _CG1    13     1.52972   112.55864  -168.80979
   14    13 S   HC   HG11    14     1.09498   110.58602   -60.67798
   15    13 S   HC   HG12    15     1.09583   109.77014    58.35890
   16    13 S   C    _CD1    16     1.51808   112.22840   178.18749
   17    16 S   O    _OE1    17     1.22742   123.16493   -12.05942
   18    16 S   N    _N2_    18     1.38616   111.81510   168.94648
   19    18 S   H    _HN2    19     1.01560   119.06563     0.14265
   20    18 S   CT1  _CA2    20     1.46303   123.45614  -179.72876
   21    20 S   HC   _HA2    21     1.09690   109.32368     0.83228
   22    20 S   C    _C2_    22     1.53432   108.94344  -115.44728
   23    22 S   O    _O2_    23     1.23068   122.14174  -151.62734
   24    20 S   CT   _CB2    32     1.53427   111.38336   122.69277
   25    24 S   HC   HB21    33     1.09303   109.14077    65.25637
   26    24 S   HC   HB22    34     1.09520   110.61869  -176.90623
   27    22 S   N    _N3_    24     1.38226   113.90670    35.12806
   28    27 S   H    _HN3    25     1.01607   119.47729    -2.13295
   29    24 S   S    _SG2    35     1.82461   111.28029   -56.72594
   30    27 S   CT   _CA3    26     1.45263   123.23513   178.35849
   31    30 S   HC   HA31    27     1.09535   107.45118   -68.01744
   32    30 S   HC   HA32    28     1.09569   108.06958    48.50861
   33    29 S   CT   _C11    36     1.82559   100.29765   150.38128
   34    33 S   HC   _H7_    37     1.09496   105.64325    69.68913
   35    30 S   CO3  _C3_    29     1.52934   114.04219   170.48814
   36    35 S   O2Z  _O31    30     1.26372   116.02998     0.27124
   37    35 S   O2Z  _O32    31     1.26402   114.40996  -179.46514
   38    33 S   CM   _C12    38     1.49434   110.34208  -172.30828
   39    38 S   CT   _C8_    39     1.50116   120.19911    89.56937
   40    39 S   HC   _H4_    40     1.09989   107.50431   147.44511
   41    38 S   CMA  _C13    83     1.51431   119.60960   -97.07012
   42    41 S   OM   _O34    84     1.26175   120.45477   101.05032
   43    41 S   OM   _O35    85     1.26226   120.41639   -78.58305
   44    39 S   CT   _C9_    41     1.54548   113.46512    28.74891
   45    44 S   HC   _H5_    42     1.09979   107.86760    87.50975
   46    44 S   CO   _C10    43     1.54078   113.51343   -32.15547
   47    46 S   HC   _H6_    44     1.09513   111.58053   -74.80187
   48    44 S   CT   _C5_    69     1.54582   102.37590  -157.01195
   49    33 S   OS   _O33    45     1.42913   115.31860   -46.52323
   50    46 S   OS1  _O36    46     1.43528   106.65363   166.70567
   51    48 S   CT   _C6_    70     1.53344   103.25986    41.08669
   52    51 S   HC   _H16    71     1.09509   112.07372  -157.32304
   53    51 S   HC   _H17    72     1.09531   110.08651    81.64551
   54    48 S   CT   _C4_    77     1.52298   117.00739   164.90922
   55    54 S   HC   _H13    78     1.09547   110.73320    58.62072
   56    54 S   HC   _H14    79     1.09381   112.48096   -63.51062
   57    54 S   HC   _H15    80     1.09629   110.58304   176.18238
   58    48 S   OH   _O43    81     1.43396   107.86348   -74.06441
   59    58 S   HO   _H25    82     0.97236   107.90721   169.57177
   60    50 S   CO1  _C14    47     1.43215   114.32370   173.97286
   61    60 S   HC   _H8_    48     1.09644   109.58413    42.09855
   62    39 S   CT   _C7_    73     1.54241   113.96189   -92.40534
   63    62 S   HC   _H3_    74     1.09413   113.41229    13.15397
   64    60 S   CT   _C15    49     1.53476   106.35025   160.53648
   65    64 S   HC   _H9_    50     1.09693   110.05561    52.93596
   66    62 S   OH   _O42    75     1.42637   109.39374  -106.42798
   67    66 S   HO   _H24    76     0.97189   107.25015   176.86493
   68    64 S   CT   _C16    51     1.52752   111.27074   175.02327
   69    68 S   HC   _H10    52     1.09659   110.45947    72.00248
   70    64 S   OH5  _O41    67     1.43002   110.04784   -63.84303
   71    70 S   HO   _H23    68     0.97233   108.22567   -55.81851
   72    68 S   CT   _C17    53     1.52851   110.73909   -50.75571
   73    72 S   HC   _H11    54     1.09651   108.66047   -70.86068
   74    68 S   OH5  _O40    65     1.42962   109.66123  -171.87419
   75    74 S   HO   _H22    66     0.97248   108.10681    60.81565
   76    72 S   CT   _C18    55     1.53488   110.74739    50.84568
   77    76 S   HC   _H12    56     1.09797   110.10957    64.90394
   78    72 S   OH5  _O39    63     1.42672   109.58242   172.60700
   79    78 S   HO   _H21    64     0.97245   108.26155   -59.93288
   80    60 S   OS1  _O37    57     1.43006   110.93001   -79.21354
   81    76 S   CT   _C19    58     1.53225   111.79566  -175.96624
   82    81 S   HC   _H18    59     1.09418   110.90174   -62.68103
   83    81 S   HC   _H19    60     1.09190   110.49233   176.49200
   84    81 S   OH5  _O38    61     1.42295   110.65305    57.62578
   85    84 S   HO   _H20    62     0.97260   106.89366   179.82529
  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   7   5   4   3
  13   5   2   1   1  14  20   9   5   1   1  19   9  12   4  14
   2   8  12   6   5   6   3   2   1   2   1  13   6   3   2  12
   7   1   1  13   7   4   1  12   7   3   1   9   6   3   1   4
   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    49    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    49    50    62    41    42    43  
   38    39    46    49    41  
   36    37  
   37  
    0  
   39    40    44    45    46    49    48    51    62    63    66    41    42    43  
   40    44    45    46    47    49    50    48    51    52    53    62    63    66    67    54    58    41    42    43  
   44    45    46    48    51    62    63    66    41  
   42    43    44    49    62  
   43  
    0  
   45    46    47    49    50    60    48    51    52    53    62    63    66    54    55    56    57    58    59  
   46    47    49    50    48    51    62    54    58  
   47    49    50    60    61    64    80    48    51    62    54    58  
   49    50    60    48  
   51    52    53    62    63    66    54    55    56    57    58    59    49    50  
   50    60  
   60    61    64    65    68    76    80    70  
   52    53    62    63    66    67    54    55    56    57    58    59  
   53    62    63    66    54    58  
   62    63    66    54    58  
   55    56    57    58    59    62  
   56    57    58  
   57    58  
   58  
   59    62  
    0  
   61    64    65    68    69    72    76    77    80    81    74    70    71  
   64    65    68    76    80    70  
   63    66    67  
   66    67  
   65    68    69    72    73    76    80    78    74    75    70    71  
   68    69    72    80    74    70    71  
   67  
    0  
   69    72    73    76    77    80    81    78    79    74    75    70    71  
   72    73    76    78    74    75    70  
   71    72    74    80  
    0  
   73    76    77    80    81    82    83    84    78    79    74    75  
   76    77    80    81    78    79    74  
   75    76    78  
    0  
   77    80    81    82    83    84    85    78    79  
   80    81    82    83    84    78  
   79    80    81  
    0  
   81    82    83    84  
   82    83    84    85  
   83    84    85  
   84    85  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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    49   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    62   268.000  1.529
   44    45   340.000  1.090
   44    46   250.000  1.527
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   320.000  1.380
   50    60   370.000  1.399
   60    61   360.000  1.097
   60    64   255.000  1.525
   60    80   370.000  1.399
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    74   355.000  1.421
   72    73   340.000  1.090
   72    76   268.000  1.529
   72    78   355.000  1.421
   76    77   340.000  1.090
   76    80   335.000  1.422
   76    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   355.000  1.421
   84    85   580.000  0.967
   78    79   580.000  0.967
   74    75   580.000  0.967
   70    71   580.000  0.967
   48    51   268.000  1.529
   48    54   268.000  1.529
   48    58   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   268.000  1.529
   62    63   340.000  1.090
   62    66   320.000  1.410
   66    67   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   553.000  0.945
   41    42   745.000  1.250
   41    43   745.000  1.250
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    49    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    49    46    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    39    62    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    37.50000  110.70000
   39    44    46    75.00000  109.43000
   39    44    48    58.35000  112.70000
   39    62    51    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    66    50.00000  109.50000
   44    39    40    37.50000  110.70000
   44    46    47    45.00000  112.01100
   44    46    49    90.00000  108.56700
   44    46    50    90.00000  108.56700
   44    48    51    58.35000  112.70000
   44    48    54    58.35000  112.70000
   44    48    58    50.00000  109.50000
   46    44    45    45.00000  108.72000
   46    50    60    90.00000  112.10700
   49    33    34    35.00000  109.50000
   49    33    38    85.00000  110.90400
   49    46    47    35.00000  109.50000
   50    46    47    35.00000  109.50000
   50    46    49    92.60000  111.55000
   50    60    61    60.00000  105.75400
   50    60    64    90.00000  109.70700
   50    60    80   110.00000  113.16000
   60    64    65    45.00000  109.54000
   60    64    68    70.00000  111.10000
   60    64    70    90.00000  109.42000
   60    80    76    90.00000  112.10700
   64    60    61    45.00000  111.65000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    74    90.00000  111.45300
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    76    58.35000  112.70000
   68    72    78    90.00000  111.45300
   68    74    75    65.00000  108.53500
   72    68    69    37.50000  110.70000
   72    76    77    37.50000  110.70000
   72    76    80    95.00000  107.88500
   72    76    81    58.35000  112.70000
   72    78    79    65.00000  108.53500
   76    72    73    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    90.00000  111.45300
   80    60    61    60.00000  105.75400
   80    60    64    90.00000  109.70700
   80    76    77    55.00000  108.98800
   81    76    77    37.50000  110.70000
   81    76    80    95.00000  107.88500
   81    84    85    65.00000  108.53500
   83    81    82    33.00000  107.80000
   84    81    82    60.00000  109.39000
   84    81    83    60.00000  109.39000
   78    72    73    60.00000  109.39000
   78    72    76    90.00000  111.45300
   74    68    69    60.00000  109.39000
   74    68    72    90.00000  111.45300
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   48    44    45    37.50000  110.70000
   48    44    46    75.00000  109.43000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    62    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   48    58    59    55.00000  108.50000
   51    62    63    37.50000  110.70000
   51    62    66    50.00000  109.50000
   53    51    52    33.00000  107.80000
   62    39    40    37.50000  110.70000
   62    39    44    58.35000  112.70000
   62    51    52    37.50000  110.70000
   62    51    53    37.50000  110.70000
   62    66    67    55.00000  108.50000
   66    62    63    35.00000  109.50000
   54    48    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    51    50.00000  109.50000
   58    48    54    50.00000  109.50000
   41    38    39    70.00000  124.00000
   43    41    42    65.00000  121.00000
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    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    49    46   0.14700  1.0 1.0
   29    33    49    46  -1.16150 -1.0 2.0
   29    33    49    46   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    39    62   0.46850  1.0 1.0
   33    38    39    62   0.08550 -1.0 2.0
   33    38    39    62   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    49    46   0.37050  1.0 3.0
   38    33    49    46  -0.77900  1.0 1.0
   38    33    49    46  -0.36900 -1.0 2.0
   38    33    49    46   0.40400  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    46   0.34400  1.0 1.0
   38    39   -44    46   0.09450 -1.0 2.0
   38    39   -44    46   0.11100  1.0 3.0
   38    39    44    48   0.34400  1.0 1.0
   38    39    44    48   0.09450 -1.0 2.0
   38    39    44    48   0.11100  1.0 3.0
   38    39    62    51   0.34400  1.0 1.0
   38    39    62    51   0.09450 -1.0 2.0
   38    39    62    51   0.11100  1.0 3.0
   38    39    62    63   0.15000  1.0 3.0
   38    39    62    66   1.05650  1.0 1.0
   38    39    62    66   0.15600 -1.0 2.0
   38    39    62    66   0.53150  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.15000  1.0 3.0
   39    44    46    49   0.62750  1.0 1.0
   39    44    46    49  -0.30950 -1.0 2.0
   39    44    46    49   0.27300  1.0 3.0
   39    44    46    50   0.62750  1.0 1.0
   39    44    46    50  -0.30950 -1.0 2.0
   39    44    46    50   0.27300  1.0 3.0
   39    44   -48    51   0.56750  1.0 1.0
   39    44   -48    51  -0.07550 -1.0 2.0
   39    44   -48    51   0.20000  1.0 3.0
   39    44    48    54   0.56750  1.0 1.0
   39    44    48    54  -0.07550 -1.0 2.0
   39    44    48    54   0.20000  1.0 3.0
   39    44    48    58   0.86500  1.0 1.0
   39    44    48    58  -0.17500 -1.0 2.0
   39    44    48    58   0.20800  1.0 3.0
   39    62    66    67  -0.11600  1.0 1.0
   39    62    66    67  -0.09450 -1.0 2.0
   39    62    66    67   0.21250  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    62    51   0.15000  1.0 3.0
   40    39    62    63   0.15000  1.0 3.0
   40    39    62    66   0.23400  1.0 3.0
   44    39   -62    51   0.56750  1.0 1.0
   44    39   -62    51  -0.07550 -1.0 2.0
   44    39   -62    51   0.20000  1.0 3.0
   44    39    62    63   0.15000  1.0 3.0
   44    39    62    66   0.86500  1.0 1.0
   44    39    62    66  -0.17500 -1.0 2.0
   44    39    62    66   0.20800  1.0 3.0
   44    46   -49    33   0.06250  1.0 1.0
   44    46   -49    33  -0.01100 -1.0 2.0
   44    46   -49    33   0.28050  1.0 3.0
   44    46    50    60   0.06250  1.0 1.0
   44    46    50    60  -0.01100 -1.0 2.0
   44    46    50    60   0.28050  1.0 3.0
   44    48    51    52   0.15000  1.0 3.0
   44    48    51    53   0.15000  1.0 3.0
   44    48   -51    62   0.56750  1.0 1.0
   44    48   -51    62  -0.07550 -1.0 2.0
   44    48   -51    62   0.20000  1.0 3.0
   44    48    54    55   0.15000  1.0 3.0
   44    48    54    56   0.15000  1.0 3.0
   44    48    54    57   0.15000  1.0 3.0
   44    48    58    59  -0.11600  1.0 1.0
   44    48    58    59  -0.09450 -1.0 2.0
   44    48    58    59   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.23400  1.0 3.0
   45    44    46    50   0.23400  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   45    44    48    54   0.15000  1.0 3.0
   45    44    48    58   0.23400  1.0 3.0
   46    44    48    51   3.97050  1.0 1.0
   46    44    48    54   3.97050  1.0 1.0
   46    44    48    58   0.86500  1.0 1.0
   46    44    48    58  -0.17500 -1.0 2.0
   46    44    48    58   0.20800  1.0 3.0
   46    50    60    61   0.37050  1.0 3.0
   46    50    60    64   0.06250  1.0 1.0
   46    50    60    64  -0.01100 -1.0 2.0
   46    50    60    64   0.28050  1.0 3.0
   46    50    60    80  -0.12700  1.0 1.0
   46    50    60    80  -1.16200 -1.0 2.0
   46    50    60    80   0.58800  1.0 3.0
   47    46    49    33   0.37050  1.0 3.0
   47    46    50    60   0.37050  1.0 3.0
   49    33   -38    39   0.09700  1.0 1.0
   49    33   -38    39   0.15600 -1.0 2.0
   49    33   -38    39  -0.50800  1.0 3.0
   49    33    38    41   0.39000  1.0 1.0
   49    33    38    41  -0.05800 -1.0 2.0
   49    33    38    41  -0.55150  1.0 3.0
   49    46    50    60  -0.53350  1.0 1.0
   49    46    50    60  -0.78350 -1.0 2.0
   49    46    50    60   0.33750  1.0 3.0
   50    46    49    33  -0.81800  1.0 1.0
   50    60    64    65   0.23400  1.0 3.0
   50    60    64    68   0.62750  1.0 1.0
   50    60    64    68  -0.30950 -1.0 2.0
   50    60    64    68   0.27300  1.0 3.0
   50    60    64    70   1.51850  1.0 1.0
   50    60    80    76  -0.70400  1.0 1.0
   50    60    80    76  -0.90350 -1.0 2.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    72   0.56750  1.0 1.0
   60    64    68    72  -0.07550 -1.0 2.0
   60    64    68    72   0.20000  1.0 3.0
   60    64    68    74  -0.47750  1.0 1.0
   60    64    70    71   0.29150  1.0 1.0
   60    64    70    71  -0.28350 -1.0 2.0
   60    64    70    71   0.43600  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    80    76   0.37050  1.0 3.0
   64    60    80    76   0.06250  1.0 1.0
   64    60    80    76  -0.01100 -1.0 2.0
   64    60    80    76   0.28050  1.0 3.0
   64    68    72    73   0.15000  1.0 3.0
   64    68   -72    76   0.56750  1.0 1.0
   64    68   -72    76  -0.07550 -1.0 2.0
   64    68   -72    76   0.20000  1.0 3.0
   64    68    72    78  -0.47750  1.0 1.0
   64    68    74    75   0.29150  1.0 1.0
   64    68    74    75  -0.28350 -1.0 2.0
   64    68    74    75   0.43600  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.15000  1.0 3.0
   65    64    68    74   0.23400  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    72    76    77   0.15000  1.0 3.0
   68    72    76    80   0.62750  1.0 1.0
   68    72    76    80  -0.30950 -1.0 2.0
   68    72    76    80   0.27300  1.0 3.0
   68    72    76    81   0.56750  1.0 1.0
   68    72    76    81  -0.07550 -1.0 2.0
   68    72    76    81   0.20000  1.0 3.0
   68    72    78    79   0.29150  1.0 1.0
   68    72    78    79  -0.28350 -1.0 2.0
   68    72    78    79   0.43600  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    76   0.15000  1.0 3.0
   69    68    72    78   0.23400  1.0 3.0
   69    68    74    75   0.19450  1.0 3.0
   72    68    74    75   0.29150  1.0 1.0
   72    68    74    75  -0.28350 -1.0 2.0
   72    68    74    75   0.43600  1.0 3.0
   72    76   -80    60   0.06250  1.0 1.0
   72    76   -80    60  -0.01100 -1.0 2.0
   72    76   -80    60   0.28050  1.0 3.0
   72    76    81    82   0.15000  1.0 3.0
   72    76    81    83   0.15000  1.0 3.0
   72    76    81    84  -0.47750  1.0 1.0
   73    72    76    77   0.15000  1.0 3.0
   73    72    76    80   0.23400  1.0 3.0
   73    72    76    81   0.15000  1.0 3.0
   73    72    78    79   0.19450  1.0 3.0
   76    72    78    79   0.29150  1.0 1.0
   76    72    78    79  -0.28350 -1.0 2.0
   76    72    78    79   0.43600  1.0 3.0
   76    81    84    85   0.29150  1.0 1.0
   76    81    84    85  -0.28350 -1.0 2.0
   76    81    84    85   0.43600  1.0 3.0
   77    76    80    60   0.37050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.23400  1.0 3.0
   80    60    64    65   0.23400  1.0 3.0
   80    60   -64    68   0.62750  1.0 1.0
   80    60   -64    68  -0.30950 -1.0 2.0
   80    60   -64    68   0.27300  1.0 3.0
   80    60    64    70   1.51850  1.0 1.0
   80    76    81    82   0.23400  1.0 3.0
   80    76    81    83   0.23400  1.0 3.0
   80    76    81    84   1.51850  1.0 1.0
   81    76    80    60   0.06250  1.0 1.0
   81    76    80    60  -0.01100 -1.0 2.0
   81    76    80    60   0.28050  1.0 3.0
   82    81    84    85   0.19450  1.0 3.0
   83    81    84    85   0.19450  1.0 3.0
   78    72    76    77   0.23400  1.0 3.0
   78    72    76    80   1.51850  1.0 1.0
   78    72    76    81  -0.47750  1.0 1.0
   74    68    72    73   0.23400  1.0 3.0
   74    68    72    76  -0.47750  1.0 1.0
   74    68    72    78   3.77950  1.0 1.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72  -0.47750  1.0 1.0
   70    64    68    74   3.77950  1.0 1.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    50   0.62750  1.0 1.0
   48    44    46    50  -0.30950 -1.0 2.0
   48    44    46    50   0.27300  1.0 3.0
   48    51   -62    39   0.56750  1.0 1.0
   48    51   -62    39  -0.07550 -1.0 2.0
   48    51   -62    39   0.20000  1.0 3.0
   48    51    62    63   0.15000  1.0 3.0
   48    51    62    66   0.86500  1.0 1.0
   48    51    62    66  -0.17500 -1.0 2.0
   48    51    62    66   0.20800  1.0 3.0
   51    48    54    55   0.15000  1.0 3.0
   51    48    54    56   0.15000  1.0 3.0
   51    48    54    57   0.15000  1.0 3.0
   51    48    58    59  -0.11600  1.0 1.0
   51    48    58    59  -0.09450 -1.0 2.0
   51    48    58    59   0.21250  1.0 3.0
   51    62    66    67  -0.11600  1.0 1.0
   51    62    66    67  -0.09450 -1.0 2.0
   51    62    66    67   0.21250  1.0 3.0
   52    51    62    39   0.15000  1.0 3.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    66   0.23400  1.0 3.0
   53    51    62    39   0.15000  1.0 3.0
   53    51    62    63   0.15000  1.0 3.0
   53    51    62    66   0.23400  1.0 3.0
   62    39    44    45   0.15000  1.0 3.0
   62    39    44    46   3.97050  1.0 1.0
   62    39   -44    48   0.56750  1.0 1.0
   62    39   -44    48  -0.07550 -1.0 2.0
   62    39   -44    48   0.20000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   54    48    51    52   0.15000  1.0 3.0
   54    48    51    53   0.15000  1.0 3.0
   54    48    51    62   0.56750  1.0 1.0
   54    48    51    62  -0.07550 -1.0 2.0
   54    48    51    62   0.20000  1.0 3.0
   54    48    58    59  -0.11600  1.0 1.0
   54    48    58    59  -0.09450 -1.0 2.0
   54    48    58    59   0.21250  1.0 3.0
   58    48    51    52   0.23400  1.0 3.0
   58    48    51    53   0.23400  1.0 3.0
   58    48    51    62   0.86500  1.0 1.0
   58    48    51    62  -0.17500 -1.0 2.0
   58    48    51    62   0.20800  1.0 3.0
   58    48    54    55   0.23400  1.0 3.0
   58    48    54    56   0.23400  1.0 3.0
   58    48    54    57   0.23400  1.0 3.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    44   0.09850  1.0 1.0
   41    38    39    44   0.15250 -1.0 2.0
   41    38    39    44  -0.50650  1.0 3.0
   41    38    39    62   0.09850  1.0 1.0
   41    38    39    62   0.15250 -1.0 2.0
   41    38    39    62  -0.50650  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    41   1.10000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
