* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    151    235     444
    1     0 S   NP   _N1_     1    28.62680    95.95565   -20.48441
    2     1 S   H    _HN1     2     1.02780    85.59315   -82.61781
    3     1 S   H    _H1_     3     1.02961    84.53417    26.31220
    4     1 S   H    _H2_     4     1.02837    39.26948   151.86441
    5     1 S   CT   _CA1     5     1.50130   149.97609   148.60201
    6     5 S   HC   _HA1     6     1.09563   105.25669    61.39579
    7     5 S   CO3  _C1_     7     1.53796   112.38162   -58.94685
    8     7 S   O2Z  _O11     8     1.26376   115.00371   -41.92735
    9     7 S   O2Z  _O12     9     1.26229   114.96835   137.39514
   10     5 S   CT   _CB1    10     1.53091   107.43307   179.48948
   11    10 S   HC   HB11    11     1.09826   109.47239   -48.84227
   12    10 S   HC   HB12    12     1.09824   110.32126    67.70488
   13    10 S   CT   _CG1    13     1.53050   112.74506  -169.86713
   14    13 S   HC   HG11    14     1.09543   110.56699   -61.30903
   15    13 S   HC   HG12    15     1.09640   110.00451    57.91117
   16    13 S   C    _CD1    16     1.51809   112.15286   178.19680
   17    16 S   O    _OE1    17     1.22746   123.18584    -4.18254
   18    16 S   N    _N2_    18     1.38675   111.77600   175.99616
   19    18 S   H    _HN2    19     1.01588   119.11816     0.82234
   20    18 S   CT1  _CA2    20     1.46198   123.15702  -179.57296
   21    20 S   HC   _HA2    21     1.09751   109.20009   -12.34747
   22    20 S   C    _C2_    22     1.53407   108.54096  -127.92438
   23    22 S   O    _O2_    23     1.23019   122.16171  -146.64078
   24    20 S   CT   _CB2    32     1.53502   111.92571   109.50972
   25    24 S   HC   HB21    33     1.09585   110.17125    57.98155
   26    24 S   HC   HB22    34     1.09445   109.79520   176.89625
   27    22 S   N    _N3_    24     1.38482   113.40557    40.75988
   28    27 S   H    _HN3    25     1.01525   118.93368    -0.68414
   29    24 S   S    _SG2    35     1.82554   111.70234   -62.78367
   30    27 S   CT   _CA3    26     1.45453   123.48083   174.93067
   31    30 S   HC   HA31    27     1.09519   109.29487    23.47974
   32    30 S   HC   HA32    28     1.09496   107.11895   140.51079
   33    29 S   CT   _C20    36     1.80576   100.20836  -177.85890
   34    33 S   HC   _H3_    37     1.10229   102.13431   -51.32530
   35    30 S   CO3  _C3_    29     1.52923   113.03151  -100.01879
   36    35 S   O2Z  _O31    30     1.26407   115.37295   -44.95665
   37    35 S   O2Z  _O32    31     1.26348   114.99943   135.93074
   38    33 S   CT   _C17    38     1.53293   118.80968  -163.85177
   39    38 S   HC   _H38    39     1.09847   107.59859    79.37065
   40    38 S   CO4  _C8_    40     1.51937    98.77725  -169.00757
   41    40 S   O    _O21    41     1.22253   125.14959  -159.01502
   42    38 S   CT   _C14    64     1.54574   127.07585   -51.20173
   43    42 S   HC   _H34    65     1.10380   102.91253   178.32310
   44    42 S   HC   _H35    66     1.08841   112.04438   -74.09235
   45    40 S   OS   _O24    42     1.36941   111.07117    23.87330
   46    33 S   CT   _C18    43     1.53103   120.02461    63.42490
   47    46 S   HC   _H39    44     1.09828   107.96994   -82.86046
   48    46 S   CT   _C13    45     1.54932   122.28929    40.07798
   49    48 S   HC   _H32    46     1.09740   108.94606   -68.38248
   50    48 S   HC   _H33    47     1.09784   108.84720   176.91587
   51    48 S   CM   _C5_    48     1.51138   114.70973    55.43901
   52    51 S   CM   _C4_    49     1.34503   118.11158   -88.86373
   53    52 S   HC   _H27    50     1.08846   117.85050   -12.82486
   54    51 S   CT   _C21    78     1.50375   116.34961    87.22964
   55    54 S   HC   _H42    79     1.09228   111.84789   -59.90759
   56    54 S   HC   _H43    80     1.09303   112.79671   178.10586
   57    54 S   HC   _H44    81     1.09561   109.51880    59.56859
   58    52 S   CT   _C15    51     1.49892   127.28114   153.78724
   59    58 S   HC   _H36    52     1.09505   113.17973    10.33773
   60    58 S   CT   _C16    53     1.53523   108.83133  -114.64289
   61    60 S   HC   _H37    54     1.09730   110.47311   -40.84190
   62    60 S   CM   _C6_    55     1.49965    98.65290  -149.21049
   63    60 S   CT   _C19    62     1.55142   117.21350    84.76236
   64    63 S   HC   _H40    63     1.09970   106.06290    85.83538
   65    62 S   CO4  _C7_    56     1.48130   108.21232    25.42821
   66    65 S   O    _O20    57     1.21752   127.00954   168.25118
   67    62 S   CM   _C9_    59     1.33603   130.54458  -153.88035
   68    67 S   HC   _H28    60     1.08423   121.41041    -0.81709
   69    67 S   HC   _H29    61     1.08543   121.59879   179.57158
   70    63 S   OS   _O25    67     1.44702   108.09355  -157.83918
   71    58 S   OS   _O23    58     1.43493   109.34992   130.26648
   72    70 S   CO4  _C12    68     1.35968   118.03175  -146.16849
   73    72 S   O    _O22    69     1.22221   126.15276     0.64619
   74    72 S   CM   _C11    70     1.48802   109.39902  -179.47474
   75    74 S   CM   _C10    71     1.34112   117.40576  -165.08059
   76    75 S   HC   _H30    72     1.08584   120.85719  -179.81233
   77    75 S   HC   _H31    73     1.08523   122.46035     0.65222
   78    74 S   CT   _C22    74     1.49648   120.01966    15.80766
   79    78 S   HC   _H45    75     1.09452   110.70161   -64.19146
   80    78 S   HC   _H46    76     1.09451   110.41283    56.46153
   81    78 S   HC   _H47    77     1.09495   111.87420   175.73336
  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  10   5   4   3
  16   8   2   1   1  14   8   9   3  12   5   4   6   7   4  10
   4   3  10  13   5   4   2   1   1  11   6  12   7   9   8   2
   5   2   3   1   1   5   1   9   3   7   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    46    47    48    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    45    46    47    48    49    50    51    63    42    43    44  
   38    39    40    45    46    47    48    42  
   36    37  
   37  
    0  
   39    40    41    45    46    47    48    60    63    64    42    43    44    70  
   40    41    45    46    63    42    43    44  
   41    45    46    47    48    63    42    43    44  
   45    46    42  
   43    44    70    72    45    46    58    60    61    62    63    64  
   44    70    60    63    64  
   70    60    63    64  
   46    47    48    49    50    51  
   47    48    49    50    51    52    54  
   48    49    50    51  
   49    50    51    52    53    58    54    55    56    57  
   50    51    52    54  
   51    52    54  
   52    53    58    59    60    71    54    55    56    57  
   53    58    59    60    61    62    65    71    63    54    55    56    57  
   58    59    60    71    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    62    65    66    71    67    63    64    70  
   60    61    62    65    71    63  
   61    62    65    66    71    67    68    69    63    64    70    72  
   62    65    71    67    63    64    70  
   65    66    71    67    68    69    63    64    70  
   64    70    72    73    74    65    67    71  
   70    72  
   66    71    67    68    69  
   71    67  
   68    69    71  
   69  
    0  
   72    73    74    75    78  
    0  
   73    74    75    76    77    78    79    80    81  
   74    75    78  
   75    76    77    78    79    80    81  
   76    77    78    79    80    81  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    45   214.000  1.327
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   317.000  1.510
   51    52   549.000  1.340
   51    54   317.000  1.510
   52    53   340.000  1.080
   52    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    71   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    71   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    42   268.000  1.529
   63    70   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   70    72   214.000  1.327
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    78   317.000  1.510
   75    76   340.000  1.080
   75    77   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    46    45    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    45    81.00000  111.40000
   38    42    63    58.35000  112.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    45    46    83.00000  116.90000
   45    40    41    83.00000  123.40000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  124.00000
   48    51    54    65.00000  117.92700
   50    48    49    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    58    70.00000  124.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   52    58    59    35.00000  109.50000
   52    58    60    70.00000  112.02700
   52    58    71    85.00000  110.90400
   58    52    53    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    71    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    42    58.35000  112.70000
   60    63    70    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    71    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   71    58    59    35.00000  109.50000
   71    58    60    50.00000  109.50000
   71    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    42    43    37.50000  110.70000
   63    42    44    37.50000  110.70000
   63    70    72    83.00000  116.90000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   42    63    64    37.50000  110.70000
   44    42    43    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    42    50.00000  109.50000
   70    72    73    83.00000  123.40000
   70    72    74    90.00000  111.29400
   72    74    75    65.00000  118.96000
   72    74    78    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    76    35.00000  120.00000
   74    75    77    35.00000  120.00000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   77    75    76    35.00000  117.00000
   78    74    75    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   54    51    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    45   0.36750  1.0 3.0
   33    38    42    63   0.56750  1.0 1.0
   33    38    42    63  -0.07550 -1.0 2.0
   33    38    42    63   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51   0.34400  1.0 1.0
   33    46    48    51   0.09450 -1.0 2.0
   33    46    48    51   0.11100  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    46    45   0.23400  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33   -46    45   0.62750  1.0 1.0
   38    33   -46    45  -0.30950 -1.0 2.0
   38    33   -46    45   0.27300  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    33    46    48   0.56750  1.0 1.0
   38    33    46    48  -0.07550 -1.0 2.0
   38    33    46    48   0.20000  1.0 3.0
   38    40   -45    46   1.63150  1.0 1.0
   38    40   -45    46   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    45   0.00000  1.0 1.0
   39    38    42    63   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   40    38    42    63  -0.95700  1.0 1.0
   40    38    42    63  -0.18200 -1.0 2.0
   40    38    42    63   0.29450  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    45   -46    33  -0.25900  1.0 1.0
   40    45   -46    33  -0.47000 -1.0 2.0
   40    45   -46    33   0.11750  1.0 3.0
   40    45    46    47   0.08050  1.0 3.0
   40    45    46    48  -0.25900  1.0 1.0
   40    45    46    48  -0.47000 -1.0 2.0
   40    45    46    48   0.11750  1.0 3.0
   41    40    45    46   3.00000 -1.0 2.0
   45    46    48    49   0.23400  1.0 3.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51   0.61850  1.0 1.0
   45    46    48    51  -0.22750 -1.0 2.0
   45    46    48    51   0.15300  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33   -38    40  -0.95700  1.0 1.0
   46    33   -38    40  -0.18200 -1.0 2.0
   46    33   -38    40   0.29450  1.0 3.0
   46    33    38    42   0.56750  1.0 1.0
   46    33    38    42  -0.07550 -1.0 2.0
   46    33    38    42   0.20000  1.0 3.0
   46    48    51    52   0.09850  1.0 1.0
   46    48    51    52   0.15250 -1.0 2.0
   46    48    51    52  -0.50650  1.0 3.0
   46    48    51    54   0.46850  1.0 1.0
   46    48    51    54   0.08550 -1.0 2.0
   46    48    51    54   0.09800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51   0.15000  1.0 3.0
   48    51    52    53   7.00000 -1.0 2.0
   48    51    52    58   7.00000 -1.0 2.0
   48    51    54    55   0.34800  1.0 3.0
   48    51    54    56   0.34800  1.0 3.0
   48    51    54    57   0.34800  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   0.34800  1.0 3.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    54   0.34800  1.0 3.0
   51    52    58    59   0.00000  1.0 1.0
   51    52    58    60   0.09850  1.0 1.0
   51    52    58    60   0.15250 -1.0 2.0
   51    52    58    60  -0.50650  1.0 3.0
   51    52    58    71   0.39000  1.0 1.0
   51    52    58    71  -0.05800 -1.0 2.0
   51    52    58    71  -0.55150  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    56   0.00000  1.0 1.0
   52    51    54    57   0.00000  1.0 1.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.31000  1.0 1.0
   52    58    60    62   0.14700 -1.0 2.0
   52    58    60    62   0.07550  1.0 3.0
   52    58    60    63   0.34400  1.0 1.0
   52    58    60    63   0.09450 -1.0 2.0
   52    58    60    63   0.11100  1.0 3.0
   52    58    71    65  -0.82050  1.0 1.0
   52    58    71    65   0.00600 -1.0 2.0
   52    58    71    65   0.04400  1.0 3.0
   53    52    58    59   0.33100  1.0 3.0
   53    52    58    60   0.00000  1.0 1.0
   53    52    58    71   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    42   0.56750  1.0 1.0
   58    60    63    42  -0.07550 -1.0 2.0
   58    60    63    42   0.20000  1.0 3.0
   58    60    63    70   0.62750  1.0 1.0
   58    60    63    70  -0.30950 -1.0 2.0
   58    60    63    70   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    71    65   0.08050  1.0 3.0
   60    58   -71    65  -0.25900  1.0 1.0
   60    58   -71    65  -0.47000 -1.0 2.0
   60    58   -71    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    71  -0.15000  1.0 1.0
   60    62   -65    71   0.89550 -1.0 2.0
   60    62   -65    71  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    42    38   0.56750  1.0 1.0
   60    63    42    38  -0.07550 -1.0 2.0
   60    63    42    38   0.20000  1.0 3.0
   60    63    42    43   0.15000  1.0 3.0
   60    63    42    44   0.15000  1.0 3.0
   60    63    70    72  -0.25900  1.0 1.0
   60    63    70    72  -0.47000 -1.0 2.0
   60    63    70    72   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    42   0.15000  1.0 3.0
   61    60    63    70   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    42   0.34400  1.0 1.0
   62    60    63    42   0.09450 -1.0 2.0
   62    60    63    42   0.11100  1.0 3.0
   62    60    63    70   0.61850  1.0 1.0
   62    60    63    70  -0.22750 -1.0 2.0
   62    60    63    70   0.15300  1.0 3.0
   62    65   -71    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    71    58   3.00000 -1.0 2.0
   71    58    60    61   0.23400  1.0 3.0
   71    58   -60    62   0.61850  1.0 1.0
   71    58   -60    62  -0.22750 -1.0 2.0
   71    58   -60    62   0.15300  1.0 3.0
   71    58    60    63   0.62750  1.0 1.0
   71    58    60    63  -0.30950 -1.0 2.0
   71    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    71  -0.56150  1.0 1.0
   67    62    65    71   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    72    73   3.00000 -1.0 2.0
   63    70    72    74   2.00000 -1.0 2.0
   64    63    42    38   0.15000  1.0 3.0
   64    63    42    43   0.15000  1.0 3.0
   64    63    42    44   0.15000  1.0 3.0
   64    63    70    72   0.08050  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    45   0.36750  1.0 3.0
   42    63    70    72  -0.25900  1.0 1.0
   42    63    70    72  -0.47000 -1.0 2.0
   42    63    70    72   0.11750  1.0 3.0
   70    63    42    38   0.62750  1.0 1.0
   70    63    42    38  -0.30950 -1.0 2.0
   70    63    42    38   0.27300  1.0 3.0
   70    63    42    43   0.23400  1.0 3.0
   70    63    42    44   0.23400  1.0 3.0
   70    72    74    75  -0.56150  1.0 1.0
   70    72    74    75   2.19150 -1.0 2.0
   70    72    74    78  -0.15000  1.0 1.0
   70    72    74    78   0.89550 -1.0 2.0
   70    72    74    78  -0.06900  1.0 3.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    77   7.00000 -1.0 2.0
   72    74    78    79   0.15000  1.0 3.0
   72    74    78    80   0.15000  1.0 3.0
   72    74    78    81   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    78  -0.64400  1.0 1.0
   73    72    74    78   0.26850 -1.0 2.0
   75    74    78    79   0.00000  1.0 1.0
   75    74    78    80   0.00000  1.0 1.0
   75    74    78    81   0.00000  1.0 1.0
   78    74    75    76   7.00000 -1.0 2.0
   78    74    75    77   7.00000 -1.0 2.0
   54    51    52    53   7.00000 -1.0 2.0
   54    51    52    58   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    40    41  10.50000 -1.0 2.0
   48    54    51    52   1.10000 -1.0 2.0
   58    53    52    51   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    71    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   70    74    72    73  10.50000 -1.0 2.0
   72    78    74    75  15.00000 -1.0 2.0
   76    77    75    74  15.00000 -1.0 2.0
END
