* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    157    244     463
    1     0 S   NP   _N1_     1    28.31046    93.73583   -21.71972
    2     1 S   H    _HN1     2     1.02786    91.77048  -131.92854
    3     1 S   H    _H1_     3     1.02947    88.23075   -23.62072
    4     1 S   H    _H2_     4     1.02843    30.78069   104.90565
    5     1 S   CT   _CA1     5     1.50156   141.35627    97.83134
    6     5 S   HC   _HA1     6     1.09551   105.19975    63.14996
    7     5 S   CO3  _C1_     7     1.53836   112.52138   -57.22921
    8     7 S   O2Z  _O11     8     1.26410   115.01770   -36.97044
    9     7 S   O2Z  _O12     9     1.26213   115.16201   142.33869
   10     5 S   CT   _CB1    10     1.53130   107.47558  -178.47916
   11    10 S   HC   HB11    11     1.09827   109.75074   -45.25994
   12    10 S   HC   HB12    12     1.09823   110.25140    71.46369
   13    10 S   CT   _CG1    13     1.53030   112.59123  -166.08460
   14    13 S   HC   HG11    14     1.09578   110.65834   -62.00503
   15    13 S   HC   HG12    15     1.09644   109.82650    57.26012
   16    13 S   C    _CD1    16     1.51781   112.22650   178.10370
   17    16 S   O    _OE1    17     1.22767   123.24295     8.21272
   18    16 S   N    _N2_    18     1.38541   111.81335  -173.03367
   19    18 S   H    _HN2    19     1.01553   119.27021     5.53934
   20    18 S   CT1  _CA2    20     1.45756   122.78702  -176.95245
   21    20 S   HC   _HA2    21     1.09521   108.27569    28.32393
   22    20 S   C    _C2_    22     1.52868   107.79725   -88.38785
   23    22 S   O    _O2_    23     1.22943   123.14284   -25.93436
   24    20 S   CT   _CB2    32     1.53330   112.38423   151.24261
   25    24 S   HC   HB21    33     1.09660   109.65084    64.35816
   26    24 S   HC   HB22    34     1.09558   111.29107  -178.16219
   27    22 S   N    _N3_    24     1.38510   112.37206   156.69799
   28    27 S   H    _HN3    25     1.01649   120.34886    -2.24245
   29    24 S   S    _SG2    35     1.82595   113.50843   -54.61420
   30    27 S   CT   _CA3    26     1.45339   122.59066   178.66631
   31    30 S   HC   HA31    27     1.09562   107.80073   -56.23649
   32    30 S   HC   HA32    28     1.09558   107.65260    60.14346
   33    29 S   CT   _C5_    36     1.84083   100.72072   -73.35975
   34    33 S   HC   _H3_    37     1.09336   106.99574    12.95383
   35    30 S   CO3  _C3_    29     1.52910   114.19515  -178.13533
   36    35 S   O2Z  _O31    30     1.26355   116.01679    -0.97156
   37    35 S   O2Z  _O32    31     1.26423   114.43444   179.00771
   38    33 S   CM   _C6_    38     1.53658   109.96549   130.30386
   39    33 S   CT   _C4_    80     1.52920   110.29319  -101.26587
   40    39 S   HC   _H7_    81     1.09413   113.29617   -55.07643
   41    39 S   HC   _H8_    82     1.09567   110.56755  -176.21628
   42    39 S   HC   _H9_    83     1.09640   110.51922    65.32122
   43    38 S   CMA  _C7_    39     1.36936   125.02845    68.60089
   44    43 S   OM   _O37    40     1.26772   126.57146     2.39335
   45    38 S   CT   _C20    66     1.53319   113.10940  -108.24982
   46    45 S   HC   _H21    67     1.09775   107.26025    47.79185
   47    45 S   HC   _H22    68     1.09456   112.75355   159.82110
   48    43 S   OS   _O33    41     1.41076   111.39533  -179.87028
   49    48 S   CT   _C8_    42     1.42214   116.09855   129.13141
   50    49 S   HC   _H4_    43     1.09875   110.69101    56.35513
   51    49 S   CT   _C9_    44     1.52833   112.28502   -67.39867
   52    51 S   HC   _H10    45     1.09438   112.34359    79.99011
   53    51 S   HC   _H11    46     1.09661   111.21226   -40.07272
   54    51 S   CT   _C10    47     1.50850   103.02360  -159.45370
   55    54 S   HC   _H12    48     1.09215   114.84246   160.89888
   56    54 S   HC   _H13    49     1.09513   111.87553   -73.00278
   57    54 S   NP   _N4_    50     1.50281   103.18411    41.28027
   58    57 S   H    _H5_    51     1.02854   109.96744  -147.97028
   59    57 S   CT   _C14    52     1.51718   114.99459    88.70006
   60    59 S   HC   _H15    53     1.09333   107.08632   112.54535
   61    59 S   HC   _H16    54     1.09260   109.44530    -7.39934
   62    59 S   CM   _C13    55     1.48730   106.15548  -127.26783
   63    62 S   HC   _H14    56     1.08099   123.29178  -171.63752
   64    62 S   CM   _C12    57     1.33968   111.91808     6.04727
   65    64 S   CT   _C15    58     1.49555   124.92019  -172.85452
   66    65 S   HC   _H17    59     1.09704   111.79892    10.61248
   67    65 S   HC   _H18    60     1.09561   109.30948   127.72477
   68    49 S   CT   _C11    78     1.54607   110.91976   175.70294
   69    68 S   HC   _H6_    79     1.09633   110.75461  -104.80368
   70    65 S   OS   _O34    61     1.43524   112.04777  -113.71874
   71    70 S   CO4  _C16    62     1.36255   117.68333    88.52990
   72    71 S   O    _O35    63     1.22730   125.09095    -1.09647
   73    71 S   CT   _C17    64     1.53428   111.66209   179.92598
   74    73 S   CM   _C18    65     1.53141   110.85733   108.55304
   75    73 S   CT   _C21    72     1.52731   114.57129   -20.91933
   76    75 S   HC   _H23    73     1.09699   110.64863   -57.02089
   77    75 S   HC   _H24    74     1.09642   110.86897  -174.69758
   78    75 S   HC   _H25    75     1.09156   113.19189    63.50654
   79    73 S   OH   _O36    76     1.44275   102.09251  -133.87422
   80    79 S   HO   _H26    77     0.97380   107.77507   -59.97277
   81    74 S   CM   _C19    69     1.34778   122.04574   127.87875
   82    81 S   HC   _H19    70     1.08448   122.37571     2.72757
   83    81 S   HC   _H20    71     1.08551   121.48729  -178.10700
  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   9   5   4   3
  13   7   2   1   1  14   5   2   1   1  10   3  11   4   3  10
  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3   7
   8   4   3   2   1   6  10   4  10   9   6   3   2   1   2   1
   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    74    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    73    74    45    46    47    81    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    74    45    46    47    68  
   48    49    45  
   46    47    81    82    83    75    79    48    71    73    74  
   47    81    73    74  
   81    73    74  
   49    50    51    52    53    54    57    64    68    69  
   50    51    52    53    54    55    56    57    58    59    62    64    65    68    69  
   51    52    53    54    57    64    68    69  
   52    53    54    55    56    57    58    59    64    68    69  
   53    54    55    56    57    68  
   54    55    56    57    68  
   55    56    57    58    59    60    61    62    64    68    69  
   56    57    58    59    68  
   57    58    59    68  
   58    59    60    61    62    63    64    65    68    69  
   59    60    61    62    64    68    69  
   60    61    62    63    64    65    68    69  
   61    62    63    64    68  
   62    63    64    68  
   63    64    65    66    67    70    68    69  
   64    65    68  
   65    66    67    70    71    68    69  
   66    67    70    71    72    73    68    69  
   67    70    71    68  
   70    71    68  
   69    70  
    0  
   71    72    73    74    75    79  
   72    73    74    81    75    76    77    78    79    80  
   73    74    75    79  
   74    81    82    83    75    76    77    78    79    80  
   81    82    83    75    76    77    78    79    80  
   76    77    78    79    80    81  
   77    78    79  
   78    79  
   79  
   80    81  
    0  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    68   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   367.000  1.471
   57    58   434.000  1.010
   57    59   367.000  1.471
   57    68   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   317.000  1.510
   73    75   268.000  1.529
   73    79   320.000  1.410
   74    45   317.000  1.510
   74    81   549.000  1.340
   45    46   340.000  1.090
   45    47   340.000  1.090
   81    82   340.000  1.080
   81    83   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   553.000  0.945
   68    69   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    74    70.00000  110.12100
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    68    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    68    57    80.00000  111.20000
   49    68    64    70.00000  112.02700
   49    68    69    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    35.00000  109.50000
   54    57    59    75.00000  113.01200
   54    57    68    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    75.00000  110.06800
   57    68    64    75.00000  110.06800
   57    68    69    35.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    70    85.00000  110.90400
   64    68    69    35.00000  109.50000
   65    70    71    83.00000  116.90000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    81.00000  111.40000
   71    73    74    70.00000  109.06800
   71    73    75    63.00000  111.10000
   71    73    79    90.00000  109.61100
   73    71    72    80.00000  120.40000
   73    74    45    65.00000  117.92700
   73    74    81    70.00000  124.00000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    78    37.50000  110.70000
   73    79    80    55.00000  108.50000
   74    45    46    35.00000  109.50000
   74    45    47    35.00000  109.50000
   74    81    82    35.00000  120.00000
   74    81    83    35.00000  120.00000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   81    74    45    70.00000  124.00000
   83    81    82    35.00000  117.00000
   75    73    74    70.00000  112.02700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    73    74    90.00000  110.39200
   79    73    75    50.00000  109.50000
   68    49    50    37.50000  110.70000
   68    49    51    58.35000  112.70000
   68    57    58    35.00000  109.50000
   68    57    59    75.00000  113.01200
   68    64    65    65.00000  117.92700
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    74   0.09700  1.0 1.0
   33    38    45    74   0.15600 -1.0 2.0
   33    38    45    74  -0.50800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    74  -0.28300  1.0 1.0
   43    38    45    74   0.26700 -1.0 2.0
   43    38    45    74  -0.63300  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    68  -0.46850  1.0 1.0
   43    48    49    68   0.09300 -1.0 2.0
   43    48    49    68  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    68    57   1.69300  1.0 1.0
   48    49    68    57  -0.48450 -1.0 2.0
   48    49    68    64   0.61850  1.0 1.0
   48    49    68    64  -0.22750 -1.0 2.0
   48    49    68    64   0.15300  1.0 3.0
   48    49    68    69   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.36600  1.0 1.0
   49    51   -54    57  -0.11450 -1.0 2.0
   49    51   -54    57   0.24250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    68    57   0.19200  1.0 3.0
   50    49    68    64   0.15000  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   51    49   -68    57   1.36600  1.0 1.0
   51    49   -68    57  -0.11450 -1.0 2.0
   51    49   -68    57   0.24250  1.0 3.0
   51    49    68    64   0.34400  1.0 1.0
   51    49    68    64   0.09450 -1.0 2.0
   51    49    68    64   0.11100  1.0 3.0
   51    49    68    69   0.15000  1.0 3.0
   51    54    57    58   0.17350  1.0 3.0
   51    54    57    59   0.47100  1.0 1.0
   51    54   -57    68   0.47100  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.19200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.19200  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    61   0.15000  1.0 3.0
   54    57    59    62   0.08000 -1.0 2.0
   54    57   -68    49   0.47100  1.0 1.0
   54    57    68    64   0.08000 -1.0 2.0
   54    57    68    69   0.15000  1.0 3.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    68   0.15000  1.0 3.0
   56    54    57    58   0.13050  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    68   0.15000  1.0 3.0
   57    59    62    63   0.00000  1.0 1.0
   57    59   -62    64   0.80850  1.0 1.0
   57    59   -62    64  -0.47300 -1.0 2.0
   57    59   -62    64  -0.52300  1.0 3.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.17350  1.0 3.0
   58    57    68    49   0.17350  1.0 3.0
   58    57    68    64   0.17350  1.0 3.0
   58    57    68    69   0.13050  1.0 3.0
   59    57    68    49   0.47100  1.0 1.0
   59    57   -68    64   0.08000 -1.0 2.0
   59    57    68    69   0.15000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62   -64    68   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    70   0.39000  1.0 1.0
   62    64    65    70  -0.05800 -1.0 2.0
   62    64    65    70  -0.55150  1.0 3.0
   62    64    68    49   0.09850  1.0 1.0
   62    64    68    49   0.15250 -1.0 2.0
   62    64    68    49  -0.50650  1.0 3.0
   62    64   -68    57   0.80850  1.0 1.0
   62    64   -68    57  -0.47300 -1.0 2.0
   62    64   -68    57  -0.52300  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    70    71  -0.82050  1.0 1.0
   64    65    70    71   0.00600 -1.0 2.0
   64    65    70    71   0.04400  1.0 3.0
   65    64    68    49   0.46850  1.0 1.0
   65    64    68    49   0.08550 -1.0 2.0
   65    64    68    49   0.09800  1.0 3.0
   65    64    68    57   0.52100  1.0 1.0
   65    64    68    57  -0.20350 -1.0 2.0
   65    64    68    57   0.29750  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    70    71    72   3.00000 -1.0 2.0
   65    70    71    73   1.63150  1.0 1.0
   65    70    71    73   2.92000 -1.0 2.0
   66    65    70    71   0.08050  1.0 3.0
   67    65    70    71   0.08050  1.0 3.0
   70    71    73    74   0.40000  1.0 3.0
   70    71    73    75   0.36750  1.0 3.0
   70    71    73    79   0.30750  1.0 1.0
   70    71    73    79   1.13850 -1.0 2.0
   70    71    73    79   0.38850  1.0 3.0
   71    73    74    45   0.17250  1.0 1.0
   71    73    74    45  -0.04100 -1.0 2.0
   71    73    74    45  -0.33850  1.0 3.0
   71    73    74    81  -0.51250  1.0 1.0
   71    73    74    81  -0.88800 -1.0 2.0
   71    73    74    81   0.08850  1.0 3.0
   71    73    75    76  -0.11250  1.0 3.0
   71    73    75    77  -0.11250  1.0 3.0
   71    73    75    78  -0.11250  1.0 3.0
   71    73    79    80   0.91850  1.0 1.0
   71    73    79    80   0.57950  1.0 3.0
   72    71    73    74   0.30150 -1.0 2.0
   72    71    73    75   0.30150 -1.0 2.0
   72    71    73    79   0.30150 -1.0 2.0
   73    74    45    38   0.09700  1.0 1.0
   73    74    45    38   0.15600 -1.0 2.0
   73    74    45    38  -0.50800  1.0 3.0
   73    74    45    46   0.34800  1.0 3.0
   73    74    45    47   0.34800  1.0 3.0
   73    74    81    82   7.00000 -1.0 2.0
   73    74    81    83   7.00000 -1.0 2.0
   74    73    75    76   0.15000  1.0 3.0
   74    73    75    77   0.15000  1.0 3.0
   74    73    75    78   0.15000  1.0 3.0
   74    73    79    80  -0.07800  1.0 1.0
   74    73    79    80  -0.21500 -1.0 2.0
   74    73    79    80  -0.03150  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    74    81    82   7.00000 -1.0 2.0
   45    74    81    83   7.00000 -1.0 2.0
   81    74    45    38  -0.28300  1.0 1.0
   81    74    45    38   0.26700 -1.0 2.0
   81    74    45    38  -0.63300  1.0 3.0
   81    74    45    46   0.00000  1.0 1.0
   81    74    45    47   0.00000  1.0 1.0
   75    73    74    45   0.46850  1.0 1.0
   75    73    74    45   0.08550 -1.0 2.0
   75    73    74    45   0.09800  1.0 3.0
   75    73    74    81   0.09850  1.0 1.0
   75    73    74    81   0.15250 -1.0 2.0
   75    73    74    81  -0.50650  1.0 3.0
   75    73    79    80  -0.11600  1.0 1.0
   75    73    79    80  -0.09450 -1.0 2.0
   75    73    79    80   0.21250  1.0 3.0
   79    73    74    45   0.18000  1.0 1.0
   79    73    74    45   0.16450 -1.0 2.0
   79    73    74    45   0.04450  1.0 3.0
   79    73    74    81   0.67800  1.0 1.0
   79    73    74    81   0.47050 -1.0 2.0
   79    73    74    81  -0.62500  1.0 3.0
   79    73    75    76   0.23400  1.0 3.0
   79    73    75    77   0.23400  1.0 3.0
   79    73    75    78   0.23400  1.0 3.0
   68    49    51    52   0.15000  1.0 3.0
   68    49    51    53   0.15000  1.0 3.0
   68    49   -51    54   0.56750  1.0 1.0
   68    49   -51    54  -0.07550 -1.0 2.0
   68    49   -51    54   0.20000  1.0 3.0
   68    57    59    60   0.15000  1.0 3.0
   68    57    59    61   0.15000  1.0 3.0
   68    57   -59    62   0.08000 -1.0 2.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    70   0.09700  1.0 1.0
   68    64    65    70   0.15600 -1.0 2.0
   68    64    65    70  -0.50800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
   73    45    74    81   1.10000 -1.0 2.0
   82    83    81    74   1.10000 -1.0 2.0
END
