* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    236     440
    1     0 S   NP   _N1_     1    28.69750    94.54097   -21.16373
    2     1 S   H    _HN1     2     1.02839    31.95625   138.34694
    3     1 S   H    _H1_     3     1.02781    89.48707   -95.22517
    4     1 S   H    _H2_     4     1.02956    89.19128    13.08880
    5     1 S   CT   _CA1     5     1.50111   142.70177   137.01784
    6     5 S   HC   _HA1     6     1.09563   105.27959    60.04555
    7     5 S   CO3  _C1_     7     1.53778   112.24634   -60.35711
    8     7 S   O2Z  _O11     8     1.26358   114.97872   -46.15634
    9     7 S   O2Z  _O12     9     1.26205   114.99384   132.96929
   10     5 S   CT   _CB1    10     1.53087   107.44336   178.11674
   11    10 S   HC   HB11    11     1.09827   109.55067   -49.13519
   12    10 S   HC   HB12    12     1.09827   110.35770    67.48168
   13    10 S   CT   _CG1    13     1.53026   112.60081  -170.11439
   14    13 S   HC   HG11    14     1.09606   110.50400   -61.35837
   15    13 S   HC   HG12    15     1.09640   109.98008    57.91315
   16    13 S   C    _CD1    16     1.51813   112.16258   178.47633
   17    16 S   O    _OE1    17     1.22739   123.20995     0.73966
   18    16 S   N    _N2_    18     1.38648   111.72972  -179.81655
   19    18 S   H    _HN2    19     1.01588   119.08709     2.37776
   20    18 S   CT1  _CA2    20     1.46306   123.27388  -177.06009
   21    20 S   HC   _HA2    21     1.09736   109.31556    -9.81322
   22    20 S   C    _C2_    22     1.53390   108.68996  -125.62133
   23    22 S   O    _O2_    23     1.23019   122.13727  -147.08473
   24    20 S   CT   _CB2    32     1.53669   111.39869   111.93202
   25    24 S   HC   HB21    33     1.09471   109.06057    57.87669
   26    24 S   HC   HB22    34     1.09451   110.20218   176.97703
   27    22 S   N    _N3_    24     1.38472   113.43499    40.33670
   28    27 S   H    _HN3    25     1.01523   118.91352    -0.84788
   29    24 S   S    _SG2    35     1.82870   111.08819   -62.45192
   30    27 S   CT   _CA3    26     1.45465   123.57290   175.04133
   31    30 S   HC   HA31    27     1.09512   109.38979    21.21922
   32    30 S   HC   HA32    28     1.09498   107.08260   138.25875
   33    29 S   CT   _C16    36     1.86742   102.49200  -176.96965
   34    30 S   CO3  _C3_    29     1.52921   113.02046  -102.35710
   35    34 S   O2Z  _O31    30     1.26411   115.37562   -44.64633
   36    34 S   O2Z  _O32    31     1.26350   114.99726   136.25681
   37    33 S   CO4  _C18    37     1.53321   105.68300    69.76487
   38    37 S   O    _O35    38     1.22849   124.46152  -133.37041
   39    37 S   HC   _H19    39     1.10410   116.21018    48.27625
   40    33 S   CT   _C12    40     1.57942   110.10283  -170.93573
   41    33 S   CT   _C17    76     1.54232   110.59287   -47.95935
   42    41 S   HC   _H16    77     1.09513   112.33497   -52.01476
   43    41 S   HC   _H17    78     1.09572   112.27380    69.77874
   44    41 S   HC   _H18    79     1.09634   111.06768  -172.27079
   45    40 S   CO4  _C11    41     1.53427   112.29745   -58.87589
   46    45 S   O    _O34    42     1.23016   122.95784   -71.86336
   47    40 S   CT   _C13    55     1.55213   112.06347    68.43515
   48    47 S   HC   _H11    56     1.09940   108.93421    88.55857
   49    47 S   HC   _H12    57     1.09653   109.16710   -26.27429
   50    40 S   OH   _O36    74     1.43684   106.49220  -173.54843
   51    50 S   HO   _H20    75     0.97023   109.22619  -175.72131
   52    45 S   CM   _C10    43     1.47862   118.36424   106.93655
   53    52 S   HC   _H10    44     1.08444   116.84485  -148.79611
   54    52 S   CM   _C9_    45     1.34554   120.86014    31.74877
   55    54 S   C3T  _C8_    46     1.47940   120.75555  -175.64720
   56    55 S   HC   _H6_    47     1.08641   114.49320    -2.72635
   57    55 S   C3T  _C7_    48     1.50357   116.00497   137.34980
   58    57 S   HC   _H5_    49     1.08103   118.72916  -135.44249
   59    57 S   CT   _C6_    50     1.49813   118.11765    10.23687
   60    59 S   HC   _H4_    51     1.09829   106.27638   -82.71591
   61    55 S   O3T  _O33    73     1.43573   124.80416  -154.78399
   62    59 S   CT   _C5_    52     1.55516   112.71970    36.94259
   63    62 S   HC   _H3_    53     1.10011   105.84172  -171.39250
   64    59 S   OS   _O37    66     1.44065   108.26594   160.82856
   65    54 S   CT   _C14    54     1.54241   120.51360     1.60961
   66    62 S   CT   _C4_    62     1.54329   112.51260    77.55001
   67    66 S   HC   _H7_    63     1.09157   113.31132   -72.30680
   68    66 S   HC   _H8_    64     1.09533   110.55700   166.72680
   69    66 S   HC   _H9_    65     1.09479   111.38570    49.20179
   70    64 S   CO4  _C19    67     1.36339   116.93906   151.98911
   71    70 S   O    _O38    68     1.22357   126.37012     1.91315
   72    65 S   CT   _C15    58     1.54627   108.03770    78.52549
   73    72 S   HC   _H13    59     1.09548   111.17523  -173.82206
   74    72 S   HC   _H14    60     1.09563   111.59053    65.06375
   75    72 S   HC   _H15    61     1.09432   112.78888   -53.34801
   76    70 S   CT   _C20    69     1.49824   109.53617  -179.18363
   77    76 S   HC   _H21    70     1.09266   109.72595   -67.41437
   78    76 S   HC   _H22    71     1.09374   109.33857   173.15539
   79    76 S   HC   _H23    72     1.09300   109.99720    54.43754
  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  12   5   4   3
  17   2   1   1  10   3   2  17   6   2   1   1  11   5  16   6
   5   3   1   9   3  14  10   5  10   5  14   7   3  12   7   8
   8   4   2   1   1   5   4   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    45    47    50    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    52    65    47    48    49    50    51    41    42    43    44  
   35    36  
   36  
    0  
   38    39    40    45    47    50    41    42    43    44  
   39    40    41  
   40    41  
   45    46    52    53    54    62    65    47    48    49    72    50    51    41    42    43    44  
   42    43    44    45    47    50  
   43    44  
   44  
    0  
   46    52    53    54    55    65    47    48    49    50    51  
   52    53    54    47    50  
   48    49    72    73    74    75    66    50    51    52    54    55    59    62    63    65  
   49    72    50    54    62    65  
   72    50    54    62    65  
   51    52    65  
    0  
   53    54    55    56    57    62    65    72    61  
   54    55    65  
   55    56    57    58    59    62    63    65    72    73    74    75    66    61  
   56    57    58    59    60    62    65    72    64    61  
   57    58    59    65    61  
   58    59    60    62    63    65    66    64    70    61  
   59    60    62    64    61  
   60    62    63    65    72    66    67    68    69    64    70    71    76    61  
   62    63    65    66    64    70    61  
   62    64    65  
   63    65    72    73    74    75    66    67    68    69    64    70  
   65    72    66    67    68    69    64  
   70    71    76    77    78    79    65    66  
   72    73    74    75    66    67    68    69  
   67    68    69    72  
   68    69  
   69  
    0  
   71    76    77    78    79  
   76    77    78    79  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   39   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    40   268.000  1.529
   33    41   268.000  1.529
   37    38   570.000  1.229
   37    39   340.000  1.090
   40    45   317.000  1.522
   40    47   268.000  1.529
   40    50   320.000  1.410
   45    46   570.000  1.229
   45    52   320.000  1.462
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   305.000  1.480
   54    65   317.000  1.510
   55    56   340.000  1.088
   55    57   260.000  1.509
   55    61   335.000  1.432
   57    58   340.000  1.088
   57    59   275.000  1.510
   57    61   335.000  1.432
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   320.000  1.410
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    66   268.000  1.529
   65    47   268.000  1.529
   65    72   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   64    70   214.000  1.327
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   50    51   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    40    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    39    35.00000  115.00000
   33    40    45    63.00000  111.10000
   33    40    47    58.35000  112.70000
   33    40    50    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   39    37    38    35.00000  123.00000
   40    33    37    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    52    65.00000  118.62400
   40    47    65    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    50    51    55.00000  108.50000
   45    52    53    40.00000  117.72500
   45    52    54    65.00000  118.96000
   52    45    46    80.00000  123.72100
   52    54    55    55.00000  125.06700
   52    54    65    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    40.00000  112.45000
   54    55    57    60.00000  120.58800
   54    55    61    85.00000  114.23300
   54    65    62    70.00000  112.02700
   54    65    47    70.00000  112.02700
   54    65    72    70.00000  112.02700
   55    57    58    37.50000  117.20000
   55    57    59    60.00000  120.94000
   55    57    61    15.00000   60.43100
   55    61    57    15.00000   59.14900
   57    55    56    37.50000  117.20000
   57    59    60    45.00000  109.38400
   57    59    62    70.00000  112.37300
   57    59    64    50.00000  109.50000
   59    57    58    40.00000  115.04500
   59    62    63    37.50000  110.70000
   59    62    65    58.35000  112.70000
   59    62    66    58.35000  112.70000
   59    64    70    83.00000  116.90000
   62    59    60    37.50000  110.70000
   62    65    47    58.35000  112.70000
   62    65    72    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   65    54    55    65.00000  117.92700
   65    62    63    37.50000  110.70000
   65    47    48    37.50000  110.70000
   65    47    49    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   47    40    45    63.00000  111.10000
   49    47    48    33.00000  107.80000
   72    65    47    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   66    62    63    37.50000  110.70000
   66    62    65    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    62    50.00000  109.50000
   64    70    71    83.00000  123.40000
   64    70    76    81.00000  111.40000
   70    76    77    35.00000  109.50000
   70    76    78    35.00000  109.50000
   70    76    79    35.00000  109.50000
   76    70    71    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   61    55    56    50.00000  114.27700
   61    55    57    15.00000   60.43100
   61    57    58    50.00000  114.27700
   61    57    59    80.00000  116.47100
   50    40    45    90.00000  109.61100
   50    40    47    50.00000  109.50000
   41    33    37    63.00000  111.10000
   41    33    40    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    37    38   0.30150 -1.0 2.0
   29    33    37    39   0.00000  1.0 1.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   29    33    40    47   0.44750  1.0 1.0
   29    33    40    47  -0.17800 -1.0 2.0
   29    33    40    47   0.20200  1.0 3.0
   29    33    40    50   0.56750  1.0 1.0
   29    33    40    50  -0.07550 -1.0 2.0
   29    33    40    50   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    52   0.65300  1.0 1.0
   33    40    45    52  -0.03850 -1.0 2.0
   33    40    45    52   0.33900  1.0 3.0
   33    40    47    65   0.56750  1.0 1.0
   33    40    47    65  -0.07550 -1.0 2.0
   33    40    47    65   0.20000  1.0 3.0
   33    40    47    48   0.15000  1.0 3.0
   33    40    47    49   0.15000  1.0 3.0
   33    40    50    51  -0.11600  1.0 1.0
   33    40    50    51  -0.09450 -1.0 2.0
   33    40    50    51   0.21250  1.0 3.0
   37    33    40    45   0.11950  1.0 1.0
   37    33    40    45   0.20300 -1.0 2.0
   37    33    40    45  -0.70800  1.0 3.0
   37    33    40    47  -0.95700  1.0 1.0
   37    33    40    47  -0.18200 -1.0 2.0
   37    33    40    47   0.29450  1.0 3.0
   37    33    40    50  -0.09450  1.0 1.0
   37    33    40    50  -1.12950 -1.0 2.0
   37    33    40    50   0.54000  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    43  -0.11250  1.0 3.0
   37    33    41    44  -0.11250  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    39   0.74550  1.0 1.0
   40    33    37    39  -0.00500 -1.0 2.0
   40    33    41    42   0.15000  1.0 3.0
   40    33    41    43   0.15000  1.0 3.0
   40    33    41    44   0.15000  1.0 3.0
   40    45    52    53   0.04550  1.0 1.0
   40    45    52    53   0.83000 -1.0 2.0
   40    45    52    53  -0.04000  1.0 3.0
   40    45    52    54  -0.33500  1.0 1.0
   40    45    52    54   1.06600 -1.0 2.0
   40    45    52    54  -0.14000  1.0 3.0
   45    40    47    65  -0.95700  1.0 1.0
   45    40    47    65  -0.18200 -1.0 2.0
   45    40    47    65   0.29450  1.0 3.0
   45    40    47    48  -0.11250  1.0 3.0
   45    40    47    49  -0.11250  1.0 3.0
   45    40    50    51   0.91850  1.0 1.0
   45    40    50    51   0.57950  1.0 3.0
   45    52    54    55   7.00000 -1.0 2.0
   45    52   -54    65   7.00000 -1.0 2.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    54   1.00000 -1.0 2.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.09850  1.0 1.0
   52    54    55    57   0.15250 -1.0 2.0
   52    54    55    57  -0.50650  1.0 3.0
   52    54    55    61   0.39000  1.0 1.0
   52    54    55    61  -0.05800 -1.0 2.0
   52    54    55    61  -0.55150  1.0 3.0
   52    54    65    62   0.09850  1.0 1.0
   52    54    65    62   0.15250 -1.0 2.0
   52    54    65    62  -0.50650  1.0 3.0
   52    54    65    47   0.09850  1.0 1.0
   52    54    65    47   0.15250 -1.0 2.0
   52    54    65    47  -0.50650  1.0 3.0
   52    54    65    72   0.09850  1.0 1.0
   52    54    65    72   0.15250 -1.0 2.0
   52    54    65    72  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    65   7.00000 -1.0 2.0
   54    55    57    58   0.15000  1.0 3.0
   54    55    57    59   0.34400  1.0 1.0
   54    55    57    59   0.09450 -1.0 2.0
   54    55    57    59   0.11100  1.0 3.0
   54    55   -57    61   0.61850  1.0 1.0
   54    55   -57    61  -0.22750 -1.0 2.0
   54    55   -57    61   0.15300  1.0 3.0
   54    55   -61    57  -0.77900  1.0 1.0
   54    55   -61    57  -0.36900 -1.0 2.0
   54    55   -61    57   0.40400  1.0 3.0
   54    65   -47    40   0.34400  1.0 1.0
   54    65   -47    40   0.09450 -1.0 2.0
   54    65   -47    40   0.11100  1.0 3.0
   54    65    47    48   0.15000  1.0 3.0
   54    65    47    49   0.15000  1.0 3.0
   54    65    72    73   0.15000  1.0 3.0
   54    65    72    74   0.15000  1.0 3.0
   54    65    72    75   0.15000  1.0 3.0
   55    54    65    62   0.46850  1.0 1.0
   55    54    65    62   0.08550 -1.0 2.0
   55    54    65    62   0.09800  1.0 3.0
   55    54    65    47   0.46850  1.0 1.0
   55    54    65    47   0.08550 -1.0 2.0
   55    54    65    47   0.09800  1.0 3.0
   55    54    65    72   0.46850  1.0 1.0
   55    54    65    72   0.08550 -1.0 2.0
   55    54    65    72   0.09800  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57   -59    62   0.07850  1.0 1.0
   55    57   -59    62  -0.03950 -1.0 2.0
   55    57   -59    62   0.67350  1.0 3.0
   55    57    59    64  -0.26800  1.0 1.0
   55    57    59    64   0.69150 -1.0 2.0
   55    57    59    64  -0.48750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55   -57    61   0.23400  1.0 3.0
   56    55   -61    57   0.36800  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    65   0.47050  1.0 1.0
   57    59    62    65   0.03900 -1.0 2.0
   57    59    62    65   0.20100  1.0 3.0
   57    59    62    66   0.47050  1.0 1.0
   57    59    62    66   0.03900 -1.0 2.0
   57    59    62    66   0.20100  1.0 3.0
   57    59    64    70  -0.25900  1.0 1.0
   57    59    64    70  -0.47000 -1.0 2.0
   57    59    64    70   0.11750  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    59    64   0.23400  1.0 3.0
   58    57   -61    55   0.36800  1.0 3.0
   59    57   -61    55   0.06250  1.0 1.0
   59    57   -61    55  -0.01100 -1.0 2.0
   59    57   -61    55   0.28050  1.0 3.0
   59    62   -65    54   0.34400  1.0 1.0
   59    62   -65    54   0.09450 -1.0 2.0
   59    62   -65    54   0.11100  1.0 3.0
   59    62    65    47   0.56750  1.0 1.0
   59    62    65    47  -0.07550 -1.0 2.0
   59    62    65    47   0.20000  1.0 3.0
   59    62    65    72   0.56750  1.0 1.0
   59    62    65    72  -0.07550 -1.0 2.0
   59    62    65    72   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   59    64    70    71   3.00000 -1.0 2.0
   59    64    70    76   1.63150  1.0 1.0
   59    64    70    76   2.92000 -1.0 2.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    70   0.08050  1.0 3.0
   62    59    64    70  -0.25900  1.0 1.0
   62    59    64    70  -0.47000 -1.0 2.0
   62    59    64    70   0.11750  1.0 3.0
   62    65    47    40   0.56750  1.0 1.0
   62    65    47    40  -0.07550 -1.0 2.0
   62    65    47    40   0.20000  1.0 3.0
   62    65    47    48   0.15000  1.0 3.0
   62    65    47    49   0.15000  1.0 3.0
   62    65    72    73   0.15000  1.0 3.0
   62    65    72    74   0.15000  1.0 3.0
   62    65    72    75   0.15000  1.0 3.0
   63    62    65    54   0.15000  1.0 3.0
   63    62    65    47   0.15000  1.0 3.0
   63    62    65    72   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   65    54    55    56   0.34800  1.0 3.0
   65    54   -55    57   0.46850  1.0 1.0
   65    54   -55    57   0.08550 -1.0 2.0
   65    54   -55    57   0.09800  1.0 3.0
   65    54    55    61   0.09700  1.0 1.0
   65    54    55    61   0.15600 -1.0 2.0
   65    54    55    61  -0.50800  1.0 3.0
   65    62    66    67   0.15000  1.0 3.0
   65    62    66    68   0.15000  1.0 3.0
   65    62    66    69   0.15000  1.0 3.0
   47    40    45    46   0.30150 -1.0 2.0
   47    40   -45    52   0.65300  1.0 1.0
   47    40   -45    52  -0.03850 -1.0 2.0
   47    40   -45    52   0.33900  1.0 3.0
   47    40    50    51  -0.11600  1.0 1.0
   47    40    50    51  -0.09450 -1.0 2.0
   47    40    50    51   0.21250  1.0 3.0
   47    65    72    73   0.15000  1.0 3.0
   47    65    72    74   0.15000  1.0 3.0
   47    65    72    75   0.15000  1.0 3.0
   72    65    47    40   0.56750  1.0 1.0
   72    65    47    40  -0.07550 -1.0 2.0
   72    65    47    40   0.20000  1.0 3.0
   72    65    47    48   0.15000  1.0 3.0
   72    65    47    49   0.15000  1.0 3.0
   66    62    65    54   0.34400  1.0 1.0
   66    62    65    54   0.09450 -1.0 2.0
   66    62    65    54   0.11100  1.0 3.0
   66    62    65    47   0.56750  1.0 1.0
   66    62    65    47  -0.07550 -1.0 2.0
   66    62    65    47   0.20000  1.0 3.0
   66    62    65    72   0.56750  1.0 1.0
   66    62    65    72  -0.07550 -1.0 2.0
   66    62    65    72   0.20000  1.0 3.0
   64    59    62    63   0.23400  1.0 3.0
   64    59    62    65   0.62750  1.0 1.0
   64    59    62    65  -0.30950 -1.0 2.0
   64    59    62    65   0.27300  1.0 3.0
   64    59    62    66   0.62750  1.0 1.0
   64    59    62    66  -0.30950 -1.0 2.0
   64    59    62    66   0.27300  1.0 3.0
   64    70    76    77   0.00000  1.0 1.0
   64    70    76    78   0.00000  1.0 1.0
   64    70    76    79   0.00000  1.0 1.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.00000  1.0 1.0
   71    70    76    79   0.00000  1.0 1.0
   61    55   -57    58   0.23400  1.0 3.0
   61    55   -57    59   0.02550  1.0 1.0
   61    55   -57    59  -0.02600 -1.0 2.0
   61    55   -57    59   1.20400  1.0 3.0
   61    57    59    60   0.23400  1.0 3.0
   61    57    59    62   0.02550  1.0 1.0
   61    57    59    62  -0.02600 -1.0 2.0
   61    57    59    62   1.20400  1.0 3.0
   61    57    59    64   1.11900  1.0 1.0
   61    57    59    64  -1.16350 -1.0 2.0
   61    57    59    64  -0.34150  1.0 3.0
   50    40    45    46   0.30150 -1.0 2.0
   50    40    45    52   0.65300  1.0 1.0
   50    40    45    52  -0.03850 -1.0 2.0
   50    40    45    52   0.33900  1.0 3.0
   50    40    47    65   0.86500  1.0 1.0
   50    40    47    65  -0.17500 -1.0 2.0
   50    40    47    65   0.20800  1.0 3.0
   50    40    47    48   0.23400  1.0 3.0
   50    40    47    49   0.23400  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    39   0.74550  1.0 1.0
   41    33    37    39  -0.00500 -1.0 2.0
   41    33    40    45  -0.95700  1.0 1.0
   41    33    40    45  -0.18200 -1.0 2.0
   41    33    40    45   0.29450  1.0 3.0
   41    33    40    47   0.56750  1.0 1.0
   41    33    40    47  -0.07550 -1.0 2.0
   41    33    40    47   0.20000  1.0 3.0
   41    33    40    50   0.86500  1.0 1.0
   41    33    40    50  -0.17500 -1.0 2.0
   41    33    40    50   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   33    39    37    38  10.50000 -1.0 2.0
   40    52    45    46  10.50000 -1.0 2.0
   45    53    52    54   1.10000 -1.0 2.0
   55    65    54    52   1.10000 -1.0 2.0
   64    76    70    71  10.50000 -1.0 2.0
END
