* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    159    258     475
    1     0 S   NP   _N1_     1    29.21904    95.83431   -18.71589
    2     1 S   H    _HN1     2     1.02771    73.37747   -69.93413
    3     1 S   H    _H1_     3     1.02981    95.40078    37.57958
    4     1 S   H    _H2_     4     1.02823    42.65812   147.00011
    5     1 S   CT   _CA1     5     1.50151   149.14367  -175.64508
    6     5 S   HC   _HA1     6     1.09582   105.23009    33.16635
    7     5 S   CO3  _C1_     7     1.53870   112.34480   -86.81850
    8     7 S   O2Z  _O11     8     1.26340   115.08493   -43.17456
    9     7 S   O2Z  _O12     9     1.26270   114.88219   135.76035
   10     5 S   CT   _CB1    10     1.53048   107.27881   150.85296
   11    10 S   HC   HB11    11     1.09818   109.34966   -52.44155
   12    10 S   HC   HB12    12     1.09670   110.21800    63.89666
   13    10 S   CT   _CG1    13     1.52872   112.82418  -173.72193
   14    13 S   HC   HG11    14     1.09579   110.33496   -60.98376
   15    13 S   HC   HG12    15     1.09640   110.08149    58.01519
   16    13 S   C    _CD1    16     1.51886   112.40403   178.21743
   17    16 S   O    _OE1    17     1.22694   123.36222   -11.55011
   18    16 S   N    _N2_    18     1.38500   111.41981   169.42279
   19    18 S   H    _HN2    19     1.01595   118.84364    -0.03956
   20    18 S   CT1  _CA2    20     1.46225   123.94567  -179.64778
   21    20 S   HC   _HA2    21     1.09728   109.45549   -13.03687
   22    20 S   C    _C2_    22     1.53585   108.18308  -128.40453
   23    22 S   O    _O2_    23     1.23014   122.33164  -148.17781
   24    20 S   CT   _CB2    32     1.53528   110.82601   109.50454
   25    24 S   HC   HB21    33     1.09007   108.92458    48.84008
   26    24 S   HC   HB22    34     1.09485   110.77580   166.65438
   27    22 S   N    _N3_    24     1.38549   113.38913    39.49699
   28    27 S   H    _HN3    25     1.01528   118.82023    -1.07338
   29    24 S   S    _SG2    35     1.82926   111.40046   -75.52400
   30    27 S   CT   _CA3    26     1.45457   123.66007   175.19560
   31    30 S   HC   HA31    27     1.09510   109.46126    19.50049
   32    30 S   HC   HA32    28     1.09504   107.05304   136.52765
   33    29 S   CT   _C8_    36     1.95657   103.58525   130.27305
   34    30 S   CO3  _C3_    29     1.52914   113.01565  -104.14859
   35    34 S   O2Z  _O31    30     1.26414   115.38341   -44.87421
   36    34 S   O2Z  _O32    31     1.26353   115.00534   136.06196
   37    33 S   CM   _C13    37     1.54471   101.71252  -179.77358
   38    33 S   CT   _C9_    71     1.59469   106.53164    60.22535
   39    38 S   OM   _O37    72     1.32690   111.14833   -96.20467
   40    38 S   HC   _H4_    73     1.09824   105.78455    29.45737
   41    37 S   CM   _C14    38     1.34686   118.94848    76.55733
   42    41 S   HC   _H14    39     1.08308   122.81949  -178.31611
   43    37 S   CT   _C12    55     1.53815   118.29296  -107.37775
   44    41 S   CO4  _C15    40     1.47229   122.39824     1.80168
   45    44 S   O    _O33    41     1.22586   120.61622  -163.85637
   46    43 S   CT   _C16    56     1.56531   114.70364  -167.80974
   47    46 S   HC   _H15    57     1.09767   111.40485    47.86957
   48    46 S   HC   _H16    58     1.09770   109.86179   -70.53028
   49    43 S   CT   _C22    78     1.55234   109.24295    73.20871
   50    49 S   HC   _H22    79     1.09422   112.77026   178.57563
   51    49 S   HC   _H23    80     1.09754   110.17793    59.63680
   52    49 S   HC   _H24    81     1.08850   114.39431   -60.23523
   53    44 S   OS   _O34    42     1.35536   116.70271    18.02886
   54    46 S   CM   _C17    59     1.50389   112.50524   168.64426
   55    54 S   HC   _H17    60     1.08592   117.93049   152.56743
   56    33 S   CT   _C7_    43     1.56840   107.32315   -67.67248
   57    56 S   HC   _H3_    44     1.09562   106.93868    55.54112
   58    54 S   CM   _C18    61     1.34069   122.38383   -26.19405
   59    58 S   HC   _H18    62     1.08749   118.78751   178.21578
   60    56 S   CT   _C5_    45     1.56311   118.91586   175.37683
   61    60 S   HC   _H10    46     1.09365   109.77116   -37.94952
   62    58 S   CT   _C19    63     1.50479   123.00363    -4.59794
   63    60 S   CT   _C4_    47     1.53174   116.33692    84.37902
   64    63 S   HC   _H7_    48     1.09477   111.94026    61.74410
   65    63 S   HC   _H8_    49     1.09001   112.32102   -60.71489
   66    63 S   HC   _H9_    50     1.09633   110.18001  -179.29390
   67    60 S   CT   _C6_    51     1.54009   108.89280  -154.30588
   68    67 S   HC   _H11    52     1.09539   111.38624   -61.78674
   69    67 S   HC   _H12    53     1.09542   110.90721   177.84015
   70    67 S   HC   _H13    54     1.09529   110.88398    58.66607
   71    62 S   CO4  _C20    64     1.51457   113.26547   117.91420
   72    71 S   O    _O35    65     1.22155   126.46667    37.32575
   73    62 S   CT   _C21    74     1.53870   108.68728  -122.27414
   74    73 S   HC   _H19    75     1.09546   112.33081  -175.41294
   75    73 S   HC   _H20    76     1.09620   111.16997    63.75663
   76    73 S   HC   _H21    77     1.09713   111.15193   -56.25883
   77    71 S   OS   _O36    66     1.37133   109.33103  -144.97786
   78    77 S   CT   _C10    67     1.45201   110.96043     2.69929
   79    78 S   HC   _H5_    68     1.10044   105.81876   -95.35032
   80    43 S   CT   _C11    69     1.55608   104.93072   -52.37784
   81    80 S   HC   _H6_    70     1.09892   107.13712   -56.96087
  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
  21   2   1   1  24  15   6   5   9   4  20   5   2  14   6   5
   8   3   2   1   6   7   3  12   4  12   4   9   8  11   7   3
   2   1   3   2   1   1  10   4   7   3   2   1   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    56    57    60    43    78    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    44    53    56    57    60    61    63    67    43    46    77    78    79    80    38    39    40    49  
   35    36  
   36  
    0  
   41    42    44    45    53    56    57    60    43    46    47    48    54    62    78    80    81    38    39    40    49    50    51    52  
   39    40    41    43    53    56    57    60    62    71    77    78    79    80    81  
   40    56    77    78    79    80  
   56    77    78    79    80  
   42    44    45    53    56    43    46    80    49  
   44    45    53    43  
   46    47    48    54    55    58    62    71    77    78    79    80    81    73    49    50    51    52    44    56  
   45    53    56    57    60  
   53    56  
   47    48    54    55    58    59    62    78    80    81    49    50    51    52  
   48    54    55    58    80    49  
   54    55    58    80    49  
   50    51    52    54    62    78    80    81  
   51    52    80  
   52    80  
   80  
   56    57    60    61    63    67  
   55    58    59    62    71    80    73  
   58    59    62  
   57    60    61    63    64    65    66    67    68    69    70    78  
   60    61    63    67  
   59    62    71    72    77    78    80    81    73    74    75    76  
   62    71    80    73  
   61    63    64    65    66    67    68    69    70  
   63    64    65    66    67    68    69    70  
   71    72    77    78    79    80    81    73    74    75    76  
   64    65    66    67    68    69    70  
   65    66    67  
   66    67  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    77    78    79    80    81    73    74    75    76  
   77    78    80    73  
   74    75    76    77    78    80    81  
   75    76    80  
   76    80  
   80  
   78    79    80    81  
   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   0.167500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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    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  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   549.000  1.340
   37    43   317.000  1.510
   41    42   340.000  1.080
   41    44   320.000  1.462
   44    45   570.000  1.229
   44    53   214.000  1.327
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   43    46   268.000  1.529
   43    80   268.000  1.529
   43    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   317.000  1.510
   54    55   340.000  1.080
   54    58   549.000  1.340
   58    59   340.000  1.080
   58    62   317.000  1.510
   62    71   317.000  1.522
   62    80   268.000  1.529
   62    73   268.000  1.529
   71    72   570.000  1.229
   71    77   214.000  1.327
   77    78   320.000  1.410
   78    79   340.000  1.090
   78    80   268.000  1.529
   78    38   268.000  1.529
   80    81   340.000  1.090
   38    39   570.000  1.307
   38    40   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    56    53    50.00000  109.50000
   33    56    57    37.50000  110.70000
   33    56    60    58.35000  112.70000
   33    38    78    58.35000  112.70000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   37    41    42    35.00000  120.00000
   37    41    44    65.00000  118.96000
   37    43    46    70.00000  112.02700
   37    43    80    70.00000  112.02700
   37    43    49    70.00000  112.02700
   41    44    45    80.00000  123.72100
   41    44    53    90.00000  111.29400
   44    41    42    40.00000  117.72500
   44    53    56    83.00000  116.90000
   53    44    45    83.00000  123.40000
   53    56    57    35.00000  109.50000
   53    56    60    50.00000  109.50000
   56    33    37    70.00000  112.02700
   56    60    61    37.50000  110.70000
   56    60    63    58.35000  112.70000
   56    60    67    58.35000  112.70000
   60    56    57    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   63    60    61    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   43    37    41    70.00000  124.00000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    54    70.00000  112.02700
   43    80    62    58.35000  112.70000
   43    80    78    58.35000  112.70000
   43    80    81    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   46    54    55    35.00000  117.00000
   46    54    58    70.00000  124.00000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   54    58    59    35.00000  120.00000
   54    58    62    70.00000  124.00000
   58    54    55    35.00000  120.00000
   58    62    71    70.00000  109.06800
   58    62    80    70.00000  112.02700
   58    62    73    70.00000  112.02700
   62    58    59    35.00000  117.00000
   62    71    72    80.00000  120.40000
   62    71    77    81.00000  111.40000
   62    80    78    58.35000  112.70000
   62    80    81    37.50000  110.70000
   62    73    74    37.50000  110.70000
   62    73    75    37.50000  110.70000
   62    73    76    37.50000  110.70000
   71    77    78    83.00000  116.90000
   77    71    72    83.00000  123.40000
   77    78    79    35.00000  109.50000
   77    78    80    50.00000  109.50000
   77    78    38    50.00000  109.50000
   78    80    81    37.50000  110.70000
   78    38    39    50.00000  109.50000
   78    38    40    37.50000  110.70000
   80    43    46    58.35000  112.70000
   80    62    71    63.00000  111.10000
   80    78    79    37.50000  110.70000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    78    79    37.50000  110.70000
   38    78    80    58.35000  112.70000
   40    38    39    45.00000  125.66300
   73    62    71    63.00000  111.10000
   73    62    80    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   49    43    46    58.35000  112.70000
   49    43    80    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    56    53   0.56750  1.0 1.0
   29    33    56    53  -0.07550 -1.0 2.0
   29    33    56    53   0.20000  1.0 3.0
   29    33    56    57   0.15000  1.0 3.0
   29    33    56    60   0.44750  1.0 1.0
   29    33    56    60  -0.17800 -1.0 2.0
   29    33    56    60   0.20200  1.0 3.0
   29    33    38    78   0.44750  1.0 1.0
   29    33    38    78  -0.17800 -1.0 2.0
   29    33    38    78   0.20200  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    37    43    46   0.46850  1.0 1.0
   33    37    43    46   0.08550 -1.0 2.0
   33    37    43    46   0.09800  1.0 3.0
   33    37    43    80   0.46850  1.0 1.0
   33    37    43    80   0.08550 -1.0 2.0
   33    37    43    80   0.09800  1.0 3.0
   33    37    43    49   0.46850  1.0 1.0
   33    37    43    49   0.08550 -1.0 2.0
   33    37    43    49   0.09800  1.0 3.0
   33    56    60    61   0.15000  1.0 3.0
   33    56    60    63   0.56750  1.0 1.0
   33    56    60    63  -0.07550 -1.0 2.0
   33    56    60    63   0.20000  1.0 3.0
   33    56    60    67   0.56750  1.0 1.0
   33    56    60    67  -0.07550 -1.0 2.0
   33    56    60    67   0.20000  1.0 3.0
   37    33    56    53   0.61850  1.0 1.0
   37    33    56    53  -0.22750 -1.0 2.0
   37    33    56    53   0.15300  1.0 3.0
   37    33    56    57   0.15000  1.0 3.0
   37    33    56    60   0.34400  1.0 1.0
   37    33    56    60   0.09450 -1.0 2.0
   37    33    56    60   0.11100  1.0 3.0
   37    33    38    78   0.34400  1.0 1.0
   37    33    38    78   0.09450 -1.0 2.0
   37    33    38    78   0.11100  1.0 3.0
   37    33    38    39   0.61850  1.0 1.0
   37    33    38    39  -0.22750 -1.0 2.0
   37    33    38    39   0.15300  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    44    45   1.00000 -1.0 2.0
   37    41   -44    53  -0.56150  1.0 1.0
   37    41   -44    53   2.19150 -1.0 2.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    48   0.15000  1.0 3.0
   37    43    46    54   0.31000  1.0 1.0
   37    43    46    54   0.14700 -1.0 2.0
   37    43    46    54   0.07550  1.0 3.0
   37    43    80    62   0.34400  1.0 1.0
   37    43    80    62   0.09450 -1.0 2.0
   37    43    80    62   0.11100  1.0 3.0
   37    43   -80    78   0.34400  1.0 1.0
   37    43   -80    78   0.09450 -1.0 2.0
   37    43   -80    78   0.11100  1.0 3.0
   37    43    80    81   0.15000  1.0 3.0
   37    43    49    50   0.15000  1.0 3.0
   37    43    49    51   0.15000  1.0 3.0
   37    43    49    52   0.15000  1.0 3.0
   41    37    43    46   0.09850  1.0 1.0
   41    37    43    46   0.15250 -1.0 2.0
   41    37    43    46  -0.50650  1.0 3.0
   41    37    43    80   0.09850  1.0 1.0
   41    37    43    80   0.15250 -1.0 2.0
   41    37    43    80  -0.50650  1.0 3.0
   41    37    43    49   0.09850  1.0 1.0
   41    37    43    49   0.15250 -1.0 2.0
   41    37    43    49  -0.50650  1.0 3.0
   41    44    53    56   2.00000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    53   1.63100 -1.0 2.0
   44    53   -56    33  -0.25900  1.0 1.0
   44    53   -56    33  -0.47000 -1.0 2.0
   44    53   -56    33   0.11750  1.0 3.0
   44    53    56    57   0.08050  1.0 3.0
   44    53    56    60  -0.25900  1.0 1.0
   44    53    56    60  -0.47000 -1.0 2.0
   44    53    56    60   0.11750  1.0 3.0
   45    44    53    56   3.00000 -1.0 2.0
   53    56    60    61   0.23400  1.0 3.0
   53    56    60    63   0.62750  1.0 1.0
   53    56    60    63  -0.30950 -1.0 2.0
   53    56    60    63   0.27300  1.0 3.0
   53    56    60    67   0.62750  1.0 1.0
   53    56    60    67  -0.30950 -1.0 2.0
   53    56    60    67   0.27300  1.0 3.0
   56    33   -37    41   0.09850  1.0 1.0
   56    33   -37    41   0.15250 -1.0 2.0
   56    33   -37    41  -0.50650  1.0 3.0
   56    33    37    43   0.46850  1.0 1.0
   56    33    37    43   0.08550 -1.0 2.0
   56    33    37    43   0.09800  1.0 3.0
   56    33    38    78   0.56750  1.0 1.0
   56    33    38    78  -0.07550 -1.0 2.0
   56    33    38    78   0.20000  1.0 3.0
   56    33    38    39   0.62750  1.0 1.0
   56    33    38    39  -0.30950 -1.0 2.0
   56    33    38    39   0.27300  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    60    63    64   0.15000  1.0 3.0
   56    60    63    65   0.15000  1.0 3.0
   56    60    63    66   0.15000  1.0 3.0
   56    60    67    68   0.15000  1.0 3.0
   56    60    67    69   0.15000  1.0 3.0
   56    60    67    70   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    63   0.15000  1.0 3.0
   57    56    60    67   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   63    60    67    68   0.15000  1.0 3.0
   63    60    67    69   0.15000  1.0 3.0
   63    60    67    70   0.15000  1.0 3.0
   67    60    63    64   0.15000  1.0 3.0
   67    60    63    65   0.15000  1.0 3.0
   67    60    63    66   0.15000  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    44   7.00000 -1.0 2.0
   43    46    54    55   0.00000  1.0 1.0
   43    46    54    58   0.09850  1.0 1.0
   43    46    54    58   0.15250 -1.0 2.0
   43    46    54    58  -0.50650  1.0 3.0
   46    43    80    62   0.56750  1.0 1.0
   46    43    80    62  -0.07550 -1.0 2.0
   46    43    80    62   0.20000  1.0 3.0
   46    43    80    78   0.56750  1.0 1.0
   46    43    80    78  -0.07550 -1.0 2.0
   46    43    80    78   0.20000  1.0 3.0
   46    43    80    81   0.15000  1.0 3.0
   46    43    49    50   0.15000  1.0 3.0
   46    43    49    51   0.15000  1.0 3.0
   46    43    49    52   0.15000  1.0 3.0
   46    54    58    59   7.00000 -1.0 2.0
   46    54   -58    62   7.00000 -1.0 2.0
   47    46    54    55   0.33100  1.0 3.0
   47    46    54    58   0.00000  1.0 1.0
   48    46    54    55   0.33100  1.0 3.0
   48    46    54    58   0.00000  1.0 1.0
   54    58    62    71  -0.51250  1.0 1.0
   54    58    62    71  -0.88800 -1.0 2.0
   54    58    62    71   0.08850  1.0 3.0
   54    58    62    80   0.09850  1.0 1.0
   54    58    62    80   0.15250 -1.0 2.0
   54    58    62    80  -0.50650  1.0 3.0
   54    58    62    73   0.09850  1.0 1.0
   54    58    62    73   0.15250 -1.0 2.0
   54    58    62    73  -0.50650  1.0 3.0
   55    54    58    59   7.00000 -1.0 2.0
   55    54    58    62   7.00000 -1.0 2.0
   58    62    71    72   0.30150 -1.0 2.0
   58    62    71    77   0.40000  1.0 3.0
   58    62   -80    43   0.34400  1.0 1.0
   58    62   -80    43   0.09450 -1.0 2.0
   58    62   -80    43   0.11100  1.0 3.0
   58    62    80    78   0.34400  1.0 1.0
   58    62    80    78   0.09450 -1.0 2.0
   58    62    80    78   0.11100  1.0 3.0
   58    62    80    81   0.15000  1.0 3.0
   58    62    73    74   0.15000  1.0 3.0
   58    62    73    75   0.15000  1.0 3.0
   58    62    73    76   0.15000  1.0 3.0
   59    58    62    71   0.00000  1.0 1.0
   59    58    62    80   0.00000  1.0 1.0
   59    58    62    73   0.00000  1.0 1.0
   62    71   -77    78   1.63150  1.0 1.0
   62    71   -77    78   2.92000 -1.0 2.0
   71    62    80    43  -0.95700  1.0 1.0
   71    62    80    43  -0.18200 -1.0 2.0
   71    62    80    43   0.29450  1.0 3.0
   71    62   -80    78  -0.95700  1.0 1.0
   71    62   -80    78  -0.18200 -1.0 2.0
   71    62   -80    78   0.29450  1.0 3.0
   71    62    80    81  -0.11250  1.0 3.0
   71    62    73    74  -0.11250  1.0 3.0
   71    62    73    75  -0.11250  1.0 3.0
   71    62    73    76  -0.11250  1.0 3.0
   71    77    78    79   0.08050  1.0 3.0
   71    77   -78    80  -0.25900  1.0 1.0
   71    77   -78    80  -0.47000 -1.0 2.0
   71    77   -78    80   0.11750  1.0 3.0
   71    77    78    38  -0.25900  1.0 1.0
   71    77    78    38  -0.47000 -1.0 2.0
   71    77    78    38   0.11750  1.0 3.0
   72    71    77    78   3.00000 -1.0 2.0
   77    78    80    43   0.62750  1.0 1.0
   77    78    80    43  -0.30950 -1.0 2.0
   77    78    80    43   0.27300  1.0 3.0
   77    78   -80    62   0.62750  1.0 1.0
   77    78   -80    62  -0.30950 -1.0 2.0
   77    78   -80    62   0.27300  1.0 3.0
   77    78    80    81   0.23400  1.0 3.0
   77    78    38    33   0.62750  1.0 1.0
   77    78    38    33  -0.30950 -1.0 2.0
   77    78    38    33   0.27300  1.0 3.0
   77    78    38    39   1.11900  1.0 1.0
   77    78    38    39  -1.16350 -1.0 2.0
   77    78    38    39  -0.34150  1.0 3.0
   77    78    38    40   0.23400  1.0 3.0
   79    78    80    43   0.15000  1.0 3.0
   79    78    80    62   0.15000  1.0 3.0
   79    78    80    81   0.15000  1.0 3.0
   79    78    38    33   0.15000  1.0 3.0
   79    78    38    39   0.23400  1.0 3.0
   79    78    38    40   0.15000  1.0 3.0
   80    43    46    47   0.15000  1.0 3.0
   80    43    46    48   0.15000  1.0 3.0
   80    43   -46    54   0.34400  1.0 1.0
   80    43   -46    54   0.09450 -1.0 2.0
   80    43   -46    54   0.11100  1.0 3.0
   80    43    49    50   0.15000  1.0 3.0
   80    43    49    51   0.15000  1.0 3.0
   80    43    49    52   0.15000  1.0 3.0
   80    62    71    72   0.30150 -1.0 2.0
   80    62   -71    77   0.36750  1.0 3.0
   80    62    73    74   0.15000  1.0 3.0
   80    62    73    75   0.15000  1.0 3.0
   80    62    73    76   0.15000  1.0 3.0
   80    78   -38    33   0.56750  1.0 1.0
   80    78   -38    33  -0.07550 -1.0 2.0
   80    78   -38    33   0.20000  1.0 3.0
   80    78    38    39   0.62750  1.0 1.0
   80    78    38    39  -0.30950 -1.0 2.0
   80    78    38    39   0.27300  1.0 3.0
   80    78    38    40   0.15000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    56    53   0.62750  1.0 1.0
   38    33    56    53  -0.30950 -1.0 2.0
   38    33    56    53   0.27300  1.0 3.0
   38    33    56    57   0.15000  1.0 3.0
   38    33    56    60   0.56750  1.0 1.0
   38    33    56    60  -0.07550 -1.0 2.0
   38    33    56    60   0.20000  1.0 3.0
   38    78   -80    43   0.56750  1.0 1.0
   38    78   -80    43  -0.07550 -1.0 2.0
   38    78   -80    43   0.20000  1.0 3.0
   38    78    80    62   0.56750  1.0 1.0
   38    78    80    62  -0.07550 -1.0 2.0
   38    78    80    62   0.20000  1.0 3.0
   38    78    80    81   0.15000  1.0 3.0
   73    62    71    72   0.30150 -1.0 2.0
   73    62    71    77   0.36750  1.0 3.0
   73    62    80    43   0.56750  1.0 1.0
   73    62    80    43  -0.07550 -1.0 2.0
   73    62    80    43   0.20000  1.0 3.0
   73    62    80    78   0.56750  1.0 1.0
   73    62    80    78  -0.07550 -1.0 2.0
   73    62    80    78   0.20000  1.0 3.0
   73    62    80    81   0.15000  1.0 3.0
   49    43    46    47   0.15000  1.0 3.0
   49    43    46    48   0.15000  1.0 3.0
   49    43    46    54   0.34400  1.0 1.0
   49    43    46    54   0.09450 -1.0 2.0
   49    43    46    54   0.11100  1.0 3.0
   49    43    80    62   0.56750  1.0 1.0
   49    43    80    62  -0.07550 -1.0 2.0
   49    43    80    62   0.20000  1.0 3.0
   49    43    80    78   0.56750  1.0 1.0
   49    43    80    78  -0.07550 -1.0 2.0
   49    43    80    78   0.20000  1.0 3.0
   49    43    80    81   0.15000  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    43    37    41   1.10000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   41    53    44    45  10.50000 -1.0 2.0
   46    55    54    58   1.10000 -1.0 2.0
   62    59    58    54   1.10000 -1.0 2.0
   62    77    71    72  10.50000 -1.0 2.0
END
