* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    152    241     442
    1     0 S   NP   _N1_     1    28.74592    95.34938   -20.85066
    2     1 S   H    _HN1     2     1.02770    88.49684   -84.31908
    3     1 S   H    _H1_     3     1.02963    85.94647    24.25507
    4     1 S   H    _H2_     4     1.02835    35.56856   151.15120
    5     1 S   CT   _CA1     5     1.50178   146.16491   145.55907
    6     5 S   HC   _HA1     6     1.09561   105.19261    62.67636
    7     5 S   CO3  _C1_     7     1.53849   112.53058   -57.46994
    8     7 S   O2Z  _O11     8     1.26348   114.94487   -35.09333
    9     7 S   O2Z  _O12     9     1.26232   115.03813   144.11076
   10     5 S   CT   _CB1    10     1.53115   107.40539  -179.16584
   11    10 S   HC   HB11    11     1.09821   109.48198   -47.40214
   12    10 S   HC   HB12    12     1.09821   110.28626    69.20126
   13    10 S   CT   _CG1    13     1.53006   112.76468  -168.42175
   14    13 S   HC   HG11    14     1.09540   110.51528   -62.37209
   15    13 S   HC   HG12    15     1.09646   110.01219    56.82064
   16    13 S   C    _CD1    16     1.51828   112.34981   177.10382
   17    16 S   O    _OE1    17     1.22706   123.26915    -5.45183
   18    16 S   N    _N2_    18     1.38614   111.56888   174.85982
   19    18 S   H    _HN2    19     1.01580   119.00287     1.53493
   20    18 S   CT1  _CA2    20     1.46292   123.51563  -178.52249
   21    20 S   HC   _HA2    21     1.09730   109.41712   -10.63482
   22    20 S   C    _C2_    22     1.53426   108.32947  -126.33304
   23    22 S   O    _O2_    23     1.23012   122.26422  -145.79208
   24    20 S   CT   _CB2    32     1.53390   111.19670   111.45312
   25    24 S   HC   HB21    33     1.09608   109.70659    54.40415
   26    24 S   HC   HB22    34     1.09501   110.81850   173.46025
   27    22 S   N    _N3_    24     1.38517   113.36589    41.57383
   28    27 S   H    _HN3    25     1.01525   118.90138    -0.67897
   29    24 S   S    _SG2    35     1.82536   111.59566   -66.71097
   30    27 S   CT   _CA3    26     1.45463   123.54090   175.11561
   31    30 S   HC   HA31    27     1.09516   109.34641    22.14183
   32    30 S   HC   HA32    28     1.09498   107.09062   139.16842
   33    29 S   CT   _C20    36     1.81994    98.85217   162.31300
   34    33 S   HC   _H3_    37     1.09462   109.67702   -54.63212
   35    33 S   HC   _H4_    38     1.09447   107.85913    61.77516
   36    30 S   CO3  _C3_    29     1.52924   113.05349  -101.41047
   37    36 S   O2Z  _O31    30     1.26406   115.38246   -44.58008
   38    36 S   O2Z  _O32    31     1.26351   114.99479   136.33399
   39    33 S   CM   _C4_    39     1.50063   110.83012  -175.58674
   40    39 S   CMA  _C5_    40     1.35393   127.03282  -117.95374
   41    40 S   OM   _O18    41     1.26295   128.23902     0.02798
   42    40 S   OS   _O20    42     1.42860   109.39173   178.55031
   43    42 S   CT   _C16    43     1.43496   103.95758    21.52952
   44    43 S   HC   _H38    44     1.10082   106.71410    83.66858
   45    43 S   CT   _C11    45     1.52165   110.56518  -158.25648
   46    45 S   HC   _H31    46     1.09779   108.42867   -56.51549
   47    45 S   HC   _H32    47     1.09748   110.28670    57.46413
   48    39 S   CT   _C13    65     1.50294   122.47878    59.52380
   49    48 S   HC   _H35    66     1.09828   107.06152   -83.43715
   50    45 S   C3T  _C18    48     1.51250   112.39222  -179.30564
   51    50 S   C3T  _C12    49     1.52267   116.79826   126.06009
   52    51 S   HC   _H33    50     1.08396   118.94843     3.10261
   53    51 S   HC   _H34    51     1.07924   121.39295   152.00422
   54    50 S   CT   _C15    53     1.52028   115.81873   -75.30891
   55    54 S   HC   _H37    54     1.09980   105.62082   -39.10144
   56    50 S   O3T  _O21    52     1.43747   114.08250    61.62304
   57    54 S   CT   _C10    55     1.54024   117.12861  -156.01007
   58    57 S   HC   _H29    56     1.09903   108.20838   150.90179
   59    57 S   HC   _H30    57     1.09207   113.56735    32.79096
   60    57 S   CT   _C14    58     1.53019   106.26779   -93.11543
   61    60 S   HC   _H36    59     1.09650   111.28033  -143.59081
   62    60 S   CM   _C6_    60     1.50787   104.04321   -24.19713
   63    60 S   OS   _O23    72     1.43623   111.29199    92.79021
   64    54 S   CT   _C17    61     1.55003   115.89237    81.96052
   65    62 S   CM   _C7_    69     1.34100   122.90459  -177.24565
   66    65 S   HC   _H25    70     1.08388   121.87308   179.89347
   67    65 S   HC   _H26    71     1.08525   120.83081     0.75641
   68    63 S   CO4  _C8_    73     1.36235   116.68778    82.88770
   69    68 S   O    _O19    74     1.22311   126.44126    -1.08390
   70    64 S   CT   _C9_    62     1.54379   117.93232   -31.09675
   71    70 S   HC   _H27    63     1.09658   107.96894  -162.81507
   72    70 S   HC   _H28    64     1.09760   110.46795    81.78805
   73    64 S   OH   _O22    67     1.44169   105.70233  -150.37094
   74    73 S   HO   _H44    68     0.97227   107.73035  -165.87417
   75    68 S   CT   _C19    75     1.49839   109.46175   179.22570
   76    75 S   HC   _H39    76     1.09291   109.83081   -60.37675
   77    75 S   HC   _H40    77     1.09376   109.36069  -179.38198
   78    75 S   HC   _H41    78     1.09285   109.84435    61.52566
  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   9  14   7  14   6   5   9
   4  14   7   3   2  16   9   2  11   6   5  12   5  11   8   8
   4   1   1   5   4   4   2   1   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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    70    48    49  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    64    70    71    72    48    49  
   41    42    43    44    45    70    48    49  
   42    43    48  
   43    44    45    46    47    50    70    48    49  
   44    45    46    47    50    51    56    54    64    70    71    72    48    49  
   45    46    47    50    70    48    49  
   46    47    50    51    52    53    56    54    55    57    64    70    48    49  
   47    50    51    56    54    48  
   50    51    56    54    48  
   49    73    50    54    62    64    70    71    72  
   64    70    71    72  
   51    52    53    56    54    55    57    58    59    60    62    64    70    73  
   52    53    56    54    55    57    64  
   53    56    54  
   56    54  
   55    57    58    59    60    61    62    64    70    71    72    73    74    65    63    56  
   57    58    59    60    62    64    70    73    56  
   57    64  
   58    59    60    61    62    64    70    73    65    63    68  
   59    60    61    62    64    63  
   60    61    62    64    63  
   61    62    64    70    73    65    66    67    63    68    69    75  
   62    64    65    63    68  
   64    70    71    72    73    74    65    66    67    63    68  
   68    69    75    76    77    78    64    65  
   70    71    72    73    74    65    66    67  
   66    67    70    73  
   67  
    0  
   69    75    76    77    78  
   75    76    77    78  
   71    72    73    74  
   72    73  
   73  
   74  
    0  
   76    77    78  
   77    78  
   78  
    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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.056200   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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
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    48   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   268.000  1.529
   43    48   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   275.000  1.510
   50    51   260.000  1.509
   50    56   335.000  1.432
   50    54   275.000  1.510
   51    52   340.000  1.088
   51    53   340.000  1.088
   51    56   335.000  1.432
   54    55   340.000  1.090
   54    57   268.000  1.529
   54    64   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   320.000  1.410
   62    64   317.000  1.510
   62    65   549.000  1.340
   64    70   268.000  1.529
   64    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    48   268.000  1.529
   48    49   340.000  1.090
   73    74   553.000  0.945
   65    66   340.000  1.080
   65    67   340.000  1.080
   63    68   214.000  1.327
   68    69   570.000  1.229
   68    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    48    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    48    43    70.00000  112.02700
   39    48    70    70.00000  112.02700
   39    48    49    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    50.00000  109.50000
   42    43    48    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    47    37.50000  110.70000
   43    45    50    70.00000  112.37300
   43    48    70    58.35000  112.70000
   43    48    49    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    50    51    60.00000  120.94000
   45    50    56    80.00000  116.47100
   45    50    54    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    45.00000  109.38400
   50    45    47    45.00000  109.38400
   50    51    52    37.50000  117.20000
   50    51    53    37.50000  117.20000
   50    51    56    15.00000   60.43100
   50    56    51    15.00000   59.14900
   50    54    55    45.00000  109.38400
   50    54    57    70.00000  112.37300
   50    54    64    70.00000  112.37300
   53    51    52    35.00000  114.30000
   56    50    51    15.00000   60.43100
   56    51    52    50.00000  114.27700
   56    51    53    50.00000  114.27700
   54    50    51    60.00000  120.94000
   54    50    56    80.00000  116.47100
   54    57    58    37.50000  110.70000
   54    57    59    37.50000  110.70000
   54    57    60    58.35000  112.70000
   54    64    62    70.00000  112.02700
   54    64    70    58.35000  112.70000
   54    64    73    50.00000  109.50000
   57    54    55    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    64    65.00000  117.92700
   60    62    65    70.00000  124.00000
   60    63    68    83.00000  116.90000
   62    60    61    35.00000  109.50000
   62    64    70    70.00000  112.02700
   62    64    73    90.00000  110.39200
   62    65    66    35.00000  120.00000
   62    65    67    35.00000  120.00000
   64    54    55    37.50000  110.70000
   64    54    57    58.35000  112.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    48    58.35000  112.70000
   64    73    74    55.00000  108.50000
   70    48    49    37.50000  110.70000
   72    70    71    33.00000  107.80000
   48    39    40    70.00000  124.00000
   48    43    44    37.50000  110.70000
   48    43    45    58.35000  112.70000
   48    70    71    37.50000  110.70000
   48    70    72    37.50000  110.70000
   73    64    70    50.00000  109.50000
   65    62    64    70.00000  124.00000
   67    65    66    35.00000  117.00000
   63    60    61    35.00000  109.50000
   63    60    62    85.00000  110.90400
   63    68    69    83.00000  123.40000
   63    68    75    81.00000  111.40000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   75    68    69    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    48   0.30250  1.0 1.0
   29    33    39    48  -0.14950 -1.0 2.0
   29    33    39    48   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    48    43   0.46850  1.0 1.0
   33    39    48    43   0.08550 -1.0 2.0
   33    39    48    43   0.09800  1.0 3.0
   33    39    48    70   0.46850  1.0 1.0
   33    39    48    70   0.08550 -1.0 2.0
   33    39    48    70   0.09800  1.0 3.0
   33    39    48    49   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    48   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   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   -48    43   0.09850  1.0 1.0
   40    39   -48    43   0.15250 -1.0 2.0
   40    39   -48    43  -0.50650  1.0 3.0
   40    39    48    70   0.09850  1.0 1.0
   40    39    48    70   0.15250 -1.0 2.0
   40    39    48    70  -0.50650  1.0 3.0
   40    39    48    49   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    48  -0.46850  1.0 1.0
   40    42   -43    48   0.09300 -1.0 2.0
   40    42   -43    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    47   0.23400  1.0 3.0
   42    43    45    50  -0.26800  1.0 1.0
   42    43    45    50   0.69150 -1.0 2.0
   42    43    45    50  -0.48750  1.0 3.0
   42    43   -48    39   0.61850  1.0 1.0
   42    43   -48    39  -0.22750 -1.0 2.0
   42    43   -48    39   0.15300  1.0 3.0
   42    43    48    70   0.62750  1.0 1.0
   42    43    48    70  -0.30950 -1.0 2.0
   42    43    48    70   0.27300  1.0 3.0
   42    43    48    49   0.23400  1.0 3.0
   43    45    50    51   0.07850  1.0 1.0
   43    45    50    51  -0.03950 -1.0 2.0
   43    45    50    51   0.67350  1.0 3.0
   43    45    50    56   0.02550  1.0 1.0
   43    45    50    56  -0.02600 -1.0 2.0
   43    45    50    56   1.20400  1.0 3.0
   43    45    50    54   0.56750  1.0 1.0
   43    45    50    54  -0.07550 -1.0 2.0
   43    45    50    54   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    47   0.15000  1.0 3.0
   44    43    45    50   0.15000  1.0 3.0
   44    43    48    39   0.15000  1.0 3.0
   44    43    48    70   0.15000  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   45    43    48    39   0.34400  1.0 1.0
   45    43    48    39   0.09450 -1.0 2.0
   45    43    48    39   0.11100  1.0 3.0
   45    43    48    70   0.56750  1.0 1.0
   45    43    48    70  -0.07550 -1.0 2.0
   45    43    48    70   0.20000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    50    51    52   0.15000  1.0 3.0
   45    50    51    53   0.15000  1.0 3.0
   45    50   -51    56   0.02550  1.0 1.0
   45    50   -51    56  -0.02600 -1.0 2.0
   45    50   -51    56   1.20400  1.0 3.0
   45    50   -56    51   0.06250  1.0 1.0
   45    50   -56    51  -0.01100 -1.0 2.0
   45    50   -56    51   0.28050  1.0 3.0
   45    50    54    55   0.15000  1.0 3.0
   45    50    54    57   0.56750  1.0 1.0
   45    50    54    57  -0.07550 -1.0 2.0
   45    50    54    57   0.20000  1.0 3.0
   45    50    54    64   0.56750  1.0 1.0
   45    50    54    64  -0.07550 -1.0 2.0
   45    50    54    64   0.20000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    56   0.23400  1.0 3.0
   46    45    50    54   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    56   0.23400  1.0 3.0
   47    45    50    54   0.15000  1.0 3.0
   50    54    57    58   0.15000  1.0 3.0
   50    54    57    59   0.15000  1.0 3.0
   50    54    57    60   0.47050  1.0 1.0
   50    54    57    60   0.03900 -1.0 2.0
   50    54    57    60   0.20100  1.0 3.0
   50    54    64    62   0.34400  1.0 1.0
   50    54    64    62   0.09450 -1.0 2.0
   50    54    64    62   0.11100  1.0 3.0
   50    54    64    70   0.47050  1.0 1.0
   50    54    64    70   0.03900 -1.0 2.0
   50    54    64    70   0.20100  1.0 3.0
   50    54    64    73   0.86500  1.0 1.0
   50    54    64    73  -0.17500 -1.0 2.0
   50    54    64    73   0.20800  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.07850  1.0 1.0
   51    50    54    57  -0.03950 -1.0 2.0
   51    50    54    57   0.67350  1.0 3.0
   51    50    54    64   0.07850  1.0 1.0
   51    50    54    64  -0.03950 -1.0 2.0
   51    50    54    64   0.67350  1.0 3.0
   52    51   -56    50   0.36800  1.0 3.0
   53    51   -56    50   0.36800  1.0 3.0
   56    50   -51    52   0.23400  1.0 3.0
   56    50   -51    53   0.23400  1.0 3.0
   56    50    54    55   0.23400  1.0 3.0
   56    50    54    57   0.02550  1.0 1.0
   56    50    54    57  -0.02600 -1.0 2.0
   56    50    54    57   1.20400  1.0 3.0
   56    50    54    64   0.02550  1.0 1.0
   56    50    54    64  -0.02600 -1.0 2.0
   56    50    54    64   1.20400  1.0 3.0
   54    50    51    52   0.15000  1.0 3.0
   54    50    51    53   0.15000  1.0 3.0
   54    50   -51    56   0.02550  1.0 1.0
   54    50   -51    56  -0.02600 -1.0 2.0
   54    50   -51    56   1.20400  1.0 3.0
   54    50   -56    51   0.06250  1.0 1.0
   54    50   -56    51  -0.01100 -1.0 2.0
   54    50   -56    51   0.28050  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57   -60    62   0.34400  1.0 1.0
   54    57   -60    62   0.09450 -1.0 2.0
   54    57   -60    62   0.11100  1.0 3.0
   54    57    60    63   0.62750  1.0 1.0
   54    57    60    63  -0.30950 -1.0 2.0
   54    57    60    63   0.27300  1.0 3.0
   54    64    70    71   0.15000  1.0 3.0
   54    64    70    72   0.15000  1.0 3.0
   54    64    70    48   0.56750  1.0 1.0
   54    64    70    48  -0.07550 -1.0 2.0
   54    64    70    48   0.20000  1.0 3.0
   54    64    73    74  -0.11600  1.0 1.0
   54    64    73    74  -0.09450 -1.0 2.0
   54    64    73    74   0.21250  1.0 3.0
   55    54    57    58   0.15000  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    64    62   0.15000  1.0 3.0
   55    54    64    70   0.15000  1.0 3.0
   55    54    64    73   0.23400  1.0 3.0
   57    54   -64    62   0.34400  1.0 1.0
   57    54   -64    62   0.09450 -1.0 2.0
   57    54   -64    62   0.11100  1.0 3.0
   57    54    64    70   0.56750  1.0 1.0
   57    54    64    70  -0.07550 -1.0 2.0
   57    54    64    70   0.20000  1.0 3.0
   57    54    64    73   0.86500  1.0 1.0
   57    54    64    73  -0.17500 -1.0 2.0
   57    54    64    73   0.20800  1.0 3.0
   57    60   -62    64   0.46850  1.0 1.0
   57    60   -62    64   0.08550 -1.0 2.0
   57    60   -62    64   0.09800  1.0 3.0
   57    60    62    65   0.09850  1.0 1.0
   57    60    62    65   0.15250 -1.0 2.0
   57    60    62    65  -0.50650  1.0 3.0
   57    60    63    68  -0.25900  1.0 1.0
   57    60    63    68  -0.47000 -1.0 2.0
   57    60    63    68   0.11750  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.23400  1.0 3.0
   60    62   -64    54   0.46850  1.0 1.0
   60    62   -64    54   0.08550 -1.0 2.0
   60    62   -64    54   0.09800  1.0 3.0
   60    62    64    70   0.46850  1.0 1.0
   60    62    64    70   0.08550 -1.0 2.0
   60    62    64    70   0.09800  1.0 3.0
   60    62    64    73   0.18000  1.0 1.0
   60    62    64    73   0.16450 -1.0 2.0
   60    62    64    73   0.04450  1.0 3.0
   60    62    65    66   7.00000 -1.0 2.0
   60    62    65    67   7.00000 -1.0 2.0
   60    63    68    69   3.00000 -1.0 2.0
   60    63    68    75   1.63150  1.0 1.0
   60    63    68    75   2.92000 -1.0 2.0
   61    60    62    64   0.34800  1.0 3.0
   61    60    62    65   0.00000  1.0 1.0
   61    60    63    68   0.08050  1.0 3.0
   62    60    63    68  -0.82050  1.0 1.0
   62    60    63    68   0.00600 -1.0 2.0
   62    60    63    68   0.04400  1.0 3.0
   62    64    70    71   0.15000  1.0 3.0
   62    64    70    72   0.15000  1.0 3.0
   62    64    70    48   0.34400  1.0 1.0
   62    64    70    48   0.09450 -1.0 2.0
   62    64    70    48   0.11100  1.0 3.0
   62    64    73    74  -0.07800  1.0 1.0
   62    64    73    74  -0.21500 -1.0 2.0
   62    64    73    74  -0.03150  1.0 3.0
   64    54    57    58   0.15000  1.0 3.0
   64    54    57    59   0.15000  1.0 3.0
   64    54   -57    60   0.56750  1.0 1.0
   64    54   -57    60  -0.07550 -1.0 2.0
   64    54   -57    60   0.20000  1.0 3.0
   64    62    65    66   7.00000 -1.0 2.0
   64    62    65    67   7.00000 -1.0 2.0
   64    70    48    39   0.34400  1.0 1.0
   64    70    48    39   0.09450 -1.0 2.0
   64    70    48    39   0.11100  1.0 3.0
   64    70    48    43   0.56750  1.0 1.0
   64    70    48    43  -0.07550 -1.0 2.0
   64    70    48    43   0.20000  1.0 3.0
   64    70    48    49   0.15000  1.0 3.0
   70    64    73    74  -0.11600  1.0 1.0
   70    64    73    74  -0.09450 -1.0 2.0
   70    64    73    74   0.21250  1.0 3.0
   71    70    48    39   0.15000  1.0 3.0
   71    70    48    43   0.15000  1.0 3.0
   71    70    48    49   0.15000  1.0 3.0
   72    70    48    39   0.15000  1.0 3.0
   72    70    48    43   0.15000  1.0 3.0
   72    70    48    49   0.15000  1.0 3.0
   48    39    40    41   7.00000 -1.0 2.0
   48    39   -40    42   7.00000 -1.0 2.0
   48    43    45    46   0.15000  1.0 3.0
   48    43    45    47   0.15000  1.0 3.0
   48    43    45    50   0.47050  1.0 1.0
   48    43    45    50   0.03900 -1.0 2.0
   48    43    45    50   0.20100  1.0 3.0
   73    64    70    71   0.23400  1.0 3.0
   73    64    70    72   0.23400  1.0 3.0
   73    64    70    48   0.86500  1.0 1.0
   73    64    70    48  -0.17500 -1.0 2.0
   73    64    70    48   0.20800  1.0 3.0
   65    62    64    54   0.09850  1.0 1.0
   65    62    64    54   0.15250 -1.0 2.0
   65    62    64    54  -0.50650  1.0 3.0
   65    62    64    70   0.09850  1.0 1.0
   65    62    64    70   0.15250 -1.0 2.0
   65    62    64    70  -0.50650  1.0 3.0
   65    62    64    73   0.67800  1.0 1.0
   65    62    64    73   0.47050 -1.0 2.0
   65    62    64    73  -0.62500  1.0 3.0
   63    60    62    64   0.09700  1.0 1.0
   63    60    62    64   0.15600 -1.0 2.0
   63    60    62    64  -0.50800  1.0 3.0
   63    60    62    65   0.39000  1.0 1.0
   63    60    62    65  -0.05800 -1.0 2.0
   63    60    62    65  -0.55150  1.0 3.0
   63    68    75    76   0.00000  1.0 1.0
   63    68    75    77   0.00000  1.0 1.0
   63    68    75    78   0.00000  1.0 1.0
   69    68    75    76   0.00000  1.0 1.0
   69    68    75    77   0.00000  1.0 1.0
   69    68    75    78   0.00000  1.0 1.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    48    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   60    64    62    65   1.10000 -1.0 2.0
   66    67    65    62   1.10000 -1.0 2.0
   63    75    68    69  10.50000 -1.0 2.0
END
