* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    155    241     462
    1     0 S   NP   _N1_     1    29.05291    95.35584   -18.66104
    2     1 S   H    _HN1     2     1.02961    94.85539    26.92456
    3     1 S   H    _H1_     3     1.02840    43.55810   136.63249
    4     1 S   H    _H2_     4     1.02779    72.69449   -80.77872
    5     1 S   CT   _CA1     5     1.50103   149.88997   174.54853
    6     5 S   HC   _HA1     6     1.09563   105.29967    32.34134
    7     5 S   CO3  _C1_     7     1.53846   112.30910   -88.07993
    8     7 S   O2Z  _O11     8     1.26362   114.99698   -44.35561
    9     7 S   O2Z  _O12     9     1.26230   114.94657   134.89570
   10     5 S   CT   _CB1    10     1.53085   107.45932   150.44424
   11    10 S   HC   HB11    11     1.09818   109.59522   -49.07902
   12    10 S   HC   HB12    12     1.09831   110.30245    67.52867
   13    10 S   CT   _CG1    13     1.53012   112.60411  -170.13715
   14    13 S   HC   HG11    14     1.09553   110.43488   -58.03834
   15    13 S   HC   HG12    15     1.09622   110.14920    61.08337
   16    13 S   C    _CD1    16     1.51793   112.07070  -178.67249
   17    16 S   O    _OE1    17     1.22725   123.15370   -12.48505
   18    16 S   N    _N2_    18     1.38556   111.68512   168.03312
   19    18 S   H    _HN2    19     1.01580   119.05812     1.55859
   20    18 S   CT1  _CA2    20     1.46218   123.46423  -177.54329
   21    20 S   HC   _HA2    21     1.09730   109.40002   -12.87343
   22    20 S   C    _C2_    22     1.53412   108.27867  -128.56529
   23    22 S   O    _O2_    23     1.23007   122.31138  -145.71001
   24    20 S   CT   _CB2    32     1.53425   111.22609   109.21243
   25    24 S   HC   HB21    33     1.09500   109.80656    55.99509
   26    24 S   HC   HB22    34     1.09521   110.55808   173.99080
   27    22 S   N    _N3_    24     1.38539   113.33364    41.68478
   28    27 S   H    _HN3    25     1.01525   118.88824    -0.59116
   29    24 S   S    _SG2    35     1.83029   111.66552   -67.29179
   30    27 S   CT   _CA3    26     1.45449   123.45135   175.09963
   31    30 S   HC   HA31    27     1.09523   109.23294    24.43698
   32    30 S   HC   HA32    28     1.09495   107.12016   141.44122
   33    29 S   CT   _C11    36     1.86624   100.59537   137.10294
   34    33 S   HC   _H4_    37     1.10222   104.06979    30.09581
   35    30 S   CO3  _C3_    29     1.52927   113.12888   -99.03860
   36    35 S   O2Z  _O31    30     1.26402   115.41210   -44.19308
   37    35 S   O2Z  _O32    31     1.26357   114.97749   136.74768
   38    33 S   CT   _C12    38     1.55939   107.91248   -78.68618
   39    38 S   HC   _H15    39     1.09649   109.07502   165.40144
   40    38 S   HC   _H16    40     1.09899   108.51061    54.21388
   41    33 S   CT   _C10    63     1.62548   114.01943   144.48367
   42    41 S   OM   _O39    64     1.33699   103.95216   -75.31352
   43    38 S   CT   _C13    41     1.53469   119.89795   -68.13470
   44    43 S   HC   _H17    42     1.09812   108.55299  -178.78727
   45    43 S   HC   _H18    43     1.09526   110.73924    66.39985
   46    41 S   CO   _C22    65     1.58831   115.30617    39.43672
   47    46 S   HC   _H7_    66     1.09306   112.44735   -35.26575
   48    43 S   CM   _C14    44     1.49882   111.88409   -57.79737
   49    46 S   OS   _O37    67     1.42022   114.26444    89.23714
   50    46 S   OH   _O38    71     1.44327   111.74468  -150.95349
   51    50 S   HO   _H24    72     0.97402   106.60234    -9.04930
   52    48 S   CM   _C15    45     1.34959   120.21473   -76.14337
   53    52 S   HC   _H19    46     1.08878   118.72325    -6.61868
   54    48 S   CT   _C21    68     1.49978   115.00802    96.38371
   55    54 S   HC   _H22    69     1.09528   113.37349     6.08930
   56    54 S   HC   _H23    70     1.09635   108.47517   123.36283
   57    52 S   CT   _C16    47     1.49957   124.74243   162.93765
   58    57 S   HC   _H5_    48     1.09629   111.43075    20.71840
   59    57 S   CT   _C17    49     1.53637   113.55336  -106.17300
   60    59 S   HC   _H6_    50     1.10162   110.08938   -50.79287
   61    59 S   CM   _C18    51     1.50102    96.52156  -159.57247
   62    59 S   CT   _C8_    58     1.55846   116.47810    72.20366
   63    62 S   HC   _H3_    59     1.09090   109.21797    56.95966
   64    61 S   CO4  _C20    52     1.48637   107.07045    33.16000
   65    64 S   O    _O35    53     1.21725   127.24446   163.46196
   66    61 S   CM   _C19    55     1.33536   132.52130  -143.62930
   67    66 S   HC   _H20    56     1.08231   122.07797    -1.39970
   68    66 S   HC   _H21    57     1.08574   121.39838   178.23608
   69    62 S   CT   _C9_    60     1.56263   112.24372   -71.01107
   70    69 S   HC   _H13    61     1.10386   108.13593  -112.19346
   71    69 S   HC   _H14    62     1.08711   106.56554    -4.37551
   72    62 S   OS   _O34    73     1.45751   106.16558   174.34903
   73    57 S   OS   _O36    54     1.43874   109.80159   137.34594
   74    72 S   CO4  _C7_    74     1.35995   117.82099  -150.34023
   75    74 S   O    _O33    75     1.22198   126.20364     2.86293
   76    74 S   CM   _C5_    76     1.49010   109.33702  -177.56667
   77    76 S   CM   _C6_    77     1.34145   117.41563  -179.00260
   78    77 S   HC   _H11    78     1.08546   120.97110  -179.88465
   79    77 S   HC   _H12    79     1.08541   122.44254     0.00000
   80    76 S   CT   _C4_    80     1.49778   120.11472     1.17437
   81    80 S   HC   _H8_    81     1.09493   110.60977   -60.89472
   82    80 S   HC   _H9_    82     1.09500   110.58494    59.63177
   83    80 S   HC   _H10    83     1.09538   111.88473   179.35441
  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
  18   8   2   1   1  12   6   5  15   8  10   4   3  12   5  10
   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5   5
   2   3   1   1   4   2   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    69    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    48    62    69    70    71    41    42    46    47    49    50  
   38    39    40    43    69    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    48    52    69    41    42    46    54  
   40    43    44    45    48    41  
   43    44    45    48    41  
   42    46    47    49    54    50    51    72    43    59    62    63    69    70    71  
   46    47    49    50    62    69    70    71  
   44    45    48    52    53    57    49    54    55    56  
   45    48    52    54  
   48    52    54  
   47    49    54    55    56    50    51    48    62    69    70    71  
   49    54    50    51    69  
   52    53    57    58    59    73    49    54    55    56  
   54    55    56    50    51    52    69  
   51    54    69  
    0  
   53    57    58    59    60    61    64    73    62    54    55    56  
   57    58    59    73    54  
   55    56    57  
   56  
    0  
   58    59    60    61    64    65    73    66    62    63    69    72  
   59    60    61    64    73    62  
   60    61    64    65    73    66    67    68    62    63    69    70    71    72    74  
   61    64    73    66    62    63    69    72  
   64    65    73    66    67    68    62    63    69    72  
   63    69    70    71    72    74    75    76    64    66    73  
   69    70    71    72    74  
   65    73    66    67    68  
   73    66  
   67    68    73  
   68  
    0  
   70    71    72    74  
   71    72  
   72  
   74    75    76    77    80  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    80  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.184000   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   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    52   549.000  1.340
   48    54   317.000  1.510
   52    53   340.000  1.080
   52    57   317.000  1.510
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    73   320.000  1.410
   59    60   340.000  1.090
   59    61   317.000  1.510
   59    62   268.000  1.529
   61    64   320.000  1.462
   61    66   549.000  1.340
   64    65   570.000  1.229
   64    73   214.000  1.327
   66    67   340.000  1.080
   66    68   340.000  1.080
   62    63   340.000  1.090
   62    69   268.000  1.529
   62    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    41   268.000  1.529
   41    42   570.000  1.307
   41    46   250.000  1.527
   46    47   340.000  1.090
   46    49   320.000  1.380
   46    50   380.000  1.407
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   50    51   553.000  0.945
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    69    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    75.00000  109.43000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    48    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    48    52    70.00000  124.00000
   43    48    54    65.00000  117.92700
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    53    35.00000  120.00000
   48    52    57    70.00000  124.00000
   48    54    49    85.00000  110.90400
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    70.00000  112.02700
   52    57    73    85.00000  110.90400
   57    52    53    35.00000  117.00000
   57    59    60    37.50000  110.70000
   57    59    61    70.00000  112.02700
   57    59    62    58.35000  112.70000
   57    73    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    61    64    65.00000  116.34900
   59    61    66    70.00000  124.00000
   59    62    63    37.50000  110.70000
   59    62    69    58.35000  112.70000
   59    62    72    50.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    80.00000  123.72100
   61    64    73    90.00000  111.29400
   61    66    67    35.00000  120.00000
   61    66    68    35.00000  120.00000
   73    57    58    35.00000  109.50000
   73    57    59    50.00000  109.50000
   73    64    65    83.00000  123.40000
   66    61    64    65.00000  118.96000
   68    66    67    35.00000  117.00000
   62    59    60    37.50000  110.70000
   62    59    61    70.00000  112.02700
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    41    58.35000  112.70000
   62    72    74    83.00000  116.90000
   69    62    63    37.50000  110.70000
   69    41    42    50.00000  109.50000
   69    41    46    75.00000  109.43000
   71    69    70    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    69    70    37.50000  110.70000
   41    69    71    37.50000  110.70000
   41    46    47    45.00000  112.01100
   41    46    49    90.00000  108.56700
   41    46    50    90.00000  110.19100
   46    41    42    90.00000  109.38000
   46    49    54    60.00000  109.50000
   46    50    51    70.00000  107.92000
   49    46    47    35.00000  109.50000
   49    54    55    35.00000  109.50000
   49    54    56    35.00000  109.50000
   54    48    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   50    46    47    60.00000  108.02500
   50    46    49   110.00000  112.08000
   72    62    63    35.00000  109.50000
   72    62    69    50.00000  109.50000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    80    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    79    35.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   79    77    78    35.00000  117.00000
   80    76    77    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    69   0.44750  1.0 1.0
   29    33    41    69  -0.17800 -1.0 2.0
   29    33    41    69   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    48   0.34400  1.0 1.0
   33    38    43    48   0.09450 -1.0 2.0
   33    38    43    48   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    49   0.62750  1.0 1.0
   33    41    46    49  -0.30950 -1.0 2.0
   33    41    46    49   0.27300  1.0 3.0
   33    41    46    50   0.86500  1.0 1.0
   33    41    46    50  -0.17500 -1.0 2.0
   33    41    46    50   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    69   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    69   0.56750  1.0 1.0
   38    33    41    69  -0.07550 -1.0 2.0
   38    33    41    69   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   3.97050  1.0 1.0
   38    43    48    52   0.09850  1.0 1.0
   38    43    48    52   0.15250 -1.0 2.0
   38    43    48    52  -0.50650  1.0 3.0
   38    43    48    54   0.46850  1.0 1.0
   38    43    48    54   0.08550 -1.0 2.0
   38    43    48    54   0.09800  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   43    48    52    53   7.00000 -1.0 2.0
   43    48    52    57   7.00000 -1.0 2.0
   43    48    54    49   0.09700  1.0 1.0
   43    48    54    49   0.15600 -1.0 2.0
   43    48    54    49  -0.50800  1.0 3.0
   43    48    54    55   0.34800  1.0 3.0
   43    48    54    56   0.34800  1.0 3.0
   44    43    48    52   0.00000  1.0 1.0
   44    43    48    54   0.34800  1.0 3.0
   45    43    48    52   0.00000  1.0 1.0
   45    43    48    54   0.34800  1.0 3.0
   48    52    57    58   0.00000  1.0 1.0
   48    52    57    59   0.09850  1.0 1.0
   48    52    57    59   0.15250 -1.0 2.0
   48    52    57    59  -0.50650  1.0 3.0
   48    52    57    73   0.39000  1.0 1.0
   48    52    57    73  -0.05800 -1.0 2.0
   48    52    57    73  -0.55150  1.0 3.0
   52    48    54    49   0.39000  1.0 1.0
   52    48    54    49  -0.05800 -1.0 2.0
   52    48    54    49  -0.55150  1.0 3.0
   52    48    54    55   0.00000  1.0 1.0
   52    48    54    56   0.00000  1.0 1.0
   52    57    59    60   0.15000  1.0 3.0
   52    57    59    61   0.31000  1.0 1.0
   52    57    59    61   0.14700 -1.0 2.0
   52    57    59    61   0.07550  1.0 3.0
   52    57    59    62   0.34400  1.0 1.0
   52    57    59    62   0.09450 -1.0 2.0
   52    57    59    62   0.11100  1.0 3.0
   52    57    73    64  -0.82050  1.0 1.0
   52    57    73    64   0.00600 -1.0 2.0
   52    57    73    64   0.04400  1.0 3.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    73   0.00000  1.0 1.0
   57    59   -61    64   0.09700  1.0 1.0
   57    59   -61    64   0.15600 -1.0 2.0
   57    59   -61    64  -0.50800  1.0 3.0
   57    59    61    66   0.09850  1.0 1.0
   57    59    61    66   0.15250 -1.0 2.0
   57    59    61    66  -0.50650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59    62    69   0.56750  1.0 1.0
   57    59    62    69  -0.07550 -1.0 2.0
   57    59    62    69   0.20000  1.0 3.0
   57    59    62    72   0.62750  1.0 1.0
   57    59    62    72  -0.30950 -1.0 2.0
   57    59    62    72   0.27300  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    73    64   0.08050  1.0 3.0
   59    57   -73    64  -0.25900  1.0 1.0
   59    57   -73    64  -0.47000 -1.0 2.0
   59    57   -73    64   0.11750  1.0 3.0
   59    61    64    65  -0.64400  1.0 1.0
   59    61    64    65   0.26850 -1.0 2.0
   59    61   -64    73  -0.15000  1.0 1.0
   59    61   -64    73   0.89550 -1.0 2.0
   59    61   -64    73  -0.06900  1.0 3.0
   59    61    66    67   7.00000 -1.0 2.0
   59    61    66    68   7.00000 -1.0 2.0
   59    62    69    70   0.15000  1.0 3.0
   59    62    69    71   0.15000  1.0 3.0
   59    62    69    41   0.56750  1.0 1.0
   59    62    69    41  -0.07550 -1.0 2.0
   59    62    69    41   0.20000  1.0 3.0
   59    62    72    74  -0.25900  1.0 1.0
   59    62    72    74  -0.47000 -1.0 2.0
   59    62    72    74   0.11750  1.0 3.0
   60    59    61    64   0.15000  1.0 3.0
   60    59    61    66   0.00000  1.0 1.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    69   0.15000  1.0 3.0
   60    59    62    72   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    69   0.34400  1.0 1.0
   61    59    62    69   0.09450 -1.0 2.0
   61    59    62    69   0.11100  1.0 3.0
   61    59    62    72   0.61850  1.0 1.0
   61    59    62    72  -0.22750 -1.0 2.0
   61    59    62    72   0.15300  1.0 3.0
   61    64   -73    57   2.00000 -1.0 2.0
   64    61    66    67   7.00000 -1.0 2.0
   64    61    66    68   7.00000 -1.0 2.0
   65    64    73    57   3.00000 -1.0 2.0
   73    57    59    60   0.23400  1.0 3.0
   73    57   -59    61   0.61850  1.0 1.0
   73    57   -59    61  -0.22750 -1.0 2.0
   73    57   -59    61   0.15300  1.0 3.0
   73    57    59    62   0.62750  1.0 1.0
   73    57    59    62  -0.30950 -1.0 2.0
   73    57    59    62   0.27300  1.0 3.0
   66    61    64    65   1.00000 -1.0 2.0
   66    61    64    73  -0.56150  1.0 1.0
   66    61    64    73   2.19150 -1.0 2.0
   62    59    61    64   0.09700  1.0 1.0
   62    59    61    64   0.15600 -1.0 2.0
   62    59    61    64  -0.50800  1.0 3.0
   62    59    61    66   0.09850  1.0 1.0
   62    59    61    66   0.15250 -1.0 2.0
   62    59    61    66  -0.50650  1.0 3.0
   62    69    41    33   0.56750  1.0 1.0
   62    69    41    33  -0.07550 -1.0 2.0
   62    69    41    33   0.20000  1.0 3.0
   62    69    41    42   0.62750  1.0 1.0
   62    69    41    42  -0.30950 -1.0 2.0
   62    69    41    42   0.27300  1.0 3.0
   62    69    41    46   3.97050  1.0 1.0
   62    72    74    75   3.00000 -1.0 2.0
   62    72    74    76   2.00000 -1.0 2.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    41   0.15000  1.0 3.0
   63    62    72    74   0.08050  1.0 3.0
   69    62    72    74  -0.25900  1.0 1.0
   69    62    72    74  -0.47000 -1.0 2.0
   69    62    72    74   0.11750  1.0 3.0
   69    41    46    47   0.15000  1.0 3.0
   69    41    46    49   0.62750  1.0 1.0
   69    41    46    49  -0.30950 -1.0 2.0
   69    41    46    49   0.27300  1.0 3.0
   69    41    46    50   0.86500  1.0 1.0
   69    41    46    50  -0.17500 -1.0 2.0
   69    41    46    50   0.20800  1.0 3.0
   70    69    41    33   0.15000  1.0 3.0
   70    69    41    42   0.23400  1.0 3.0
   70    69    41    46   0.15000  1.0 3.0
   71    69    41    33   0.15000  1.0 3.0
   71    69    41    42   0.23400  1.0 3.0
   71    69    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    49    54   0.06250  1.0 1.0
   41    46    49    54  -0.01100 -1.0 2.0
   41    46    49    54   0.28050  1.0 3.0
   41    46    50    51  -0.11600  1.0 1.0
   41    46    50    51  -0.09450 -1.0 2.0
   41    46    50    51   0.21250  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    49   1.11900  1.0 1.0
   42    41    46    49  -1.16350 -1.0 2.0
   42    41    46    49  -0.34150  1.0 3.0
   42    41    46    50   3.69350  1.0 1.0
   42    41    46    50  -1.82950 -1.0 2.0
   46    49    54    48  -0.77900  1.0 1.0
   46    49    54    48  -0.36900 -1.0 2.0
   46    49    54    48   0.40400  1.0 3.0
   46    49    54    55   0.37050  1.0 3.0
   46    49    54    56   0.37050  1.0 3.0
   47    46    49    54   0.37050  1.0 3.0
   47    46    50    51   0.19450  1.0 3.0
   49    46    50    51  -0.50000  1.0 1.0
   49    46    50    51  -0.73950 -1.0 2.0
   49    46    50    51   0.17150  1.0 3.0
   54    48    52    53   7.00000 -1.0 2.0
   54    48    52    57   7.00000 -1.0 2.0
   50    46    49    54  -0.70900  1.0 1.0
   50    46    49    54  -1.18000 -1.0 2.0
   50    46    49    54   0.91650  1.0 3.0
   72    62    69    70   0.23400  1.0 3.0
   72    62    69    71   0.23400  1.0 3.0
   72    62    69    41   0.62750  1.0 1.0
   72    62    69    41  -0.30950 -1.0 2.0
   72    62    69    41   0.27300  1.0 3.0
   72    74    76    77  -0.56150  1.0 1.0
   72    74    76    77   2.19150 -1.0 2.0
   72    74    76    80  -0.15000  1.0 1.0
   72    74    76    80   0.89550 -1.0 2.0
   72    74    76    80  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    79   7.00000 -1.0 2.0
   74    76    80    81   0.15000  1.0 3.0
   74    76    80    82   0.15000  1.0 3.0
   74    76    80    83   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    80  -0.64400  1.0 1.0
   75    74    76    80   0.26850 -1.0 2.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    83   0.00000  1.0 1.0
   80    76    77    78   7.00000 -1.0 2.0
   80    76    77    79   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    54    48    52   1.10000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   59    64    61    66   1.10000 -1.0 2.0
   61    73    64    65  10.50000 -1.0 2.0
   67    68    66    61   1.10000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    80    76    77  15.00000 -1.0 2.0
   78    79    77    76  15.00000 -1.0 2.0
END
