* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    163    253     482
    1     0 S   NP   _N1_     1    29.76491    91.22328   -24.36596
    2     1 S   H    _HN1     2     1.02961   106.07544     9.34157
    3     1 S   H    _H1_     3     1.02839     6.52071   109.08811
    4     1 S   H    _H2_     4     1.02782   102.44084  -104.14035
    5     1 S   CT   _CA1     5     1.50113   116.74425   132.81954
    6     5 S   HC   _HA1     6     1.09566   105.29351    56.50195
    7     5 S   CO3  _C1_     7     1.53832   112.26833   -63.87682
    8     7 S   O2Z  _O11     8     1.26366   115.01887   -45.54354
    9     7 S   O2Z  _O12     9     1.26232   114.90089   133.56292
   10     5 S   CT   _CB1    10     1.53035   107.41679   174.52417
   11    10 S   HC   HB11    11     1.09828   109.56795   -49.74581
   12    10 S   HC   HB12    12     1.09767   110.27589    66.75864
   13    10 S   CT   _CG1    13     1.53013   112.71611  -170.80239
   14    13 S   HC   HG11    14     1.09583   110.54189   -59.46189
   15    13 S   HC   HG12    15     1.09623   110.06945    59.89587
   16    13 S   C    _CD1    16     1.51706   112.00414  -179.56569
   17    16 S   O    _OE1    17     1.22732   123.19569    -3.21759
   18    16 S   N    _N2_    18     1.38623   111.85823   176.67557
   19    18 S   H    _HN2    19     1.01565   119.15716     4.25616
   20    18 S   CT1  _CA2    20     1.46082   123.19520  -176.18900
   21    20 S   HC   _HA2    21     1.09630   109.14565     6.39562
   22    20 S   C    _C2_    22     1.53540   109.54222  -109.20033
   23    22 S   O    _O2_    23     1.23081   121.94278  -146.86424
   24    20 S   CT   _CB2    32     1.53506   111.68752   128.00418
   25    24 S   HC   HB21    33     1.09662   109.60468    69.00614
   26    24 S   HC   HB22    34     1.09588   110.53406  -173.96181
   27    22 S   N    _N3_    24     1.38414   113.86411    40.55532
   28    27 S   H    _HN3    25     1.01458   119.09905    -0.02798
   29    24 S   S    _SG2    35     1.82824   115.34331   -50.69064
   30    27 S   CT   _CA3    26     1.45458   123.40674   175.37704
   31    30 S   HC   HA31    27     1.09523   109.28792    24.49560
   32    30 S   HC   HA32    28     1.09500   107.12920   141.47375
   33    29 S   CT   _C19    36     1.82488   100.21762   -60.83231
   34    33 S   HC   _H20    37     1.09549   108.88707   -53.54928
   35    33 S   HC   _H21    38     1.08940   108.79682    61.80020
   36    30 S   CO3  _C3_    29     1.52901   112.98293   -99.02314
   37    36 S   O2Z  _O31    30     1.26408   115.31373   -47.69327
   38    36 S   O2Z  _O32    31     1.26341   115.04745   133.20948
   39    33 S   CM   _C18    39     1.53075   110.95497  -176.20192
   40    39 S   CMA  _C17    40     1.37210   120.84952    85.08838
   41    40 S   OM   _O36    41     1.27012   124.59233     1.71714
   42    39 S   CT   _C5_    68     1.54593   116.06563   -95.91444
   43    42 S   HC   _H3_    69     1.09433   109.38464  -175.03698
   44    40 S   OS   _O35    42     1.42094   112.09008  -176.44995
   45    42 S   CT   _C4_    70     1.54154   108.24656    72.12829
   46    45 S   HC   _H8_    71     1.09474   111.65315   -79.54899
   47    45 S   HC   _H9_    72     1.09514   111.08702   159.96347
   48    45 S   HC   _H10    73     1.09605   111.45666    42.01555
   49    44 S   CT   _C14    43     1.43635   116.46215  -153.90202
   50    49 S   HC   _H7_    44     1.09685   110.86362    37.71037
   51    49 S   CT   _C15    45     1.53062   110.64909   -88.73107
   52    51 S   HC   _H16    46     1.09672   110.25265   168.93673
   53    51 S   HC   _H17    47     1.09240   114.41628    46.49566
   54    51 S   CT   _C16    48     1.51729   103.27571   -73.32934
   55    54 S   HC   _H18    49     1.09462   111.63317    77.02553
   56    54 S   HC   _H19    50     1.09303   113.61680  -157.18152
   57    54 S   NP   _N4_    51     1.50231   103.24336   -39.92533
   58    57 S   H    _H5_    52     1.02887   108.98532   -96.59184
   59    57 S   CT   _C12    53     1.51081   117.43047   139.31355
   60    59 S   HC   _H14    54     1.09351   107.19045   111.87594
   61    59 S   HC   _H15    55     1.09360   109.58032    -7.98443
   62    59 S   CM   _C11    56     1.49156   105.82619  -128.30563
   63    62 S   HC   _H13    57     1.08084   123.37093  -174.52374
   64    62 S   CM   _C10    58     1.34057   111.84504     5.91579
   65    64 S   CT   _C9_    59     1.48829   126.42475  -178.67751
   66    65 S   HC   _H11    60     1.09621   110.09742    14.44097
   67    65 S   HC   _H12    61     1.09493   110.32294   133.77341
   68    49 S   CT   _C13    84     1.54125   110.46606   159.36890
   69    68 S   HC   _H6_    85     1.09712   110.46914  -161.23534
   70    65 S   OS   _O34    62     1.43323   108.05540  -107.62505
   71    70 S   CO4  _C8_    63     1.36005   117.20072   143.31864
   72    71 S   O    _O33    64     1.22587   125.46986     6.48682
   73    71 S   CT   _C7_    65     1.53085   110.91519  -171.86742
   74    73 S   CT   _C6_    66     1.57225   112.72038    74.01201
   75    74 S   HC   _H4_    67     1.09711   106.36643   170.45449
   76    73 S   CT   _C20    78     1.52796   110.01994   -57.42671
   77    76 S   HC   _H22    79     1.09505   111.03743  -179.88297
   78    76 S   HC   _H23    80     1.09034   113.57682    56.31399
   79    76 S   HC   _H24    81     1.09789   110.29205   -62.77042
   80    73 S   OH   _O37    82     1.44262   106.03782  -168.43280
   81    80 S   HO   _H25    83     0.97259   108.49069   -40.29059
   82    74 S   CT   _C21    74     1.55050   109.92898    58.29156
   83    82 S   HC   _H26    75     1.09486   111.28578   -71.92481
   84    82 S   HC   _H27    76     1.09390   111.38320   167.39242
   85    82 S   HC   _H28    77     1.09346   112.23580    49.57310
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   6   5   4   3
  10   4   3   2   1   1  14  10   3  16   8  10   7   3   2   1
  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3   7
   8   4   3   2   1   6  11   4  12  11   6   6   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    74    42    43    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    44    49    73    74    75    42    43    45    46    47    48    82  
   41    44    49    50    51    74    42    43    45    68  
   44    49    42  
   43    45    46    47    48    82    83    84    85    76    80    44    71    73    74    75  
   45    46    47    48    82    73    74    75  
   49    50    51    52    53    54    57    64    68    69  
   46    47    48    82    73    74    75  
   47    48    74  
   48    74  
   74  
   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    76    80  
   72    73    74    75    82    76    77    78    79    80    81  
   73    74    76    80  
   74    75    82    83    84    85    76    77    78    79    80    81  
   75    82    83    84    85    76    77    78    79    80    81  
   82    83    84    85    76    80  
   77    78    79    80    81    82  
   78    79    80  
   79    80  
   80  
   81    82  
    0  
   83    84    85  
   84    85  
   85  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    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   268.000  1.529
   73    76   268.000  1.529
   73    80   320.000  1.410
   74    75   340.000  1.090
   74    42   268.000  1.529
   74    82   268.000  1.529
   42    43   340.000  1.090
   42    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   553.000  0.945
   68    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    44    80.00000  120.01400
   39    42    74    70.00000  112.02700
   39    42    43    35.00000  109.50000
   39    42    45    70.00000  112.02700
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    50.00000  109.50000
   44    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    63.00000  111.10000
   71    73    76    63.00000  111.10000
   71    73    80    90.00000  109.61100
   73    71    72    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    42    58.35000  112.70000
   73    74    82    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    55.00000  108.50000
   74    42    43    37.50000  110.70000
   74    42    45    58.35000  112.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    85    37.50000  110.70000
   42    39    40    70.00000  124.00000
   42    74    75    37.50000  110.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   45    42    43    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    42    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   76    73    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    74    50.00000  109.50000
   80    73    76    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
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    44   7.00000 -1.0 2.0
   33    39    42    74   0.46850  1.0 1.0
   33    39    42    74   0.08550 -1.0 2.0
   33    39    42    74   0.09800  1.0 3.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    45   0.46850  1.0 1.0
   33    39    42    45   0.08550 -1.0 2.0
   33    39    42    45   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    44    49  -2.26850  1.0 1.0
   39    40    44    49   3.39050 -1.0 2.0
   39    42    45    46   0.15000  1.0 3.0
   39    42    45    47   0.15000  1.0 3.0
   39    42    45    48   0.15000  1.0 3.0
   40    39    42    74   0.09850  1.0 1.0
   40    39    42    74   0.15250 -1.0 2.0
   40    39    42    74  -0.50650  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    45   0.09850  1.0 1.0
   40    39    42    45   0.15250 -1.0 2.0
   40    39    42    45  -0.50650  1.0 3.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51  -0.46850  1.0 1.0
   40    44    49    51   0.09300 -1.0 2.0
   40    44    49    51  -0.12850  1.0 3.0
   40    44    49    68  -0.46850  1.0 1.0
   40    44    49    68   0.09300 -1.0 2.0
   40    44    49    68  -0.12850  1.0 3.0
   41    40    44    49   2.00000 -1.0 2.0
   44    49    51    52   0.23400  1.0 3.0
   44    49    51    53   0.23400  1.0 3.0
   44    49    51    54   0.62750  1.0 1.0
   44    49    51    54  -0.30950 -1.0 2.0
   44    49    51    54   0.27300  1.0 3.0
   44    49    68    57   1.69300  1.0 1.0
   44    49    68    57  -0.48450 -1.0 2.0
   44    49    68    64   0.61850  1.0 1.0
   44    49    68    64  -0.22750 -1.0 2.0
   44    49    68    64   0.15300  1.0 3.0
   44    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   0.36750  1.0 3.0
   70    71    73    76   0.36750  1.0 3.0
   70    71    73    80   0.30750  1.0 1.0
   70    71    73    80   1.13850 -1.0 2.0
   70    71    73    80   0.38850  1.0 3.0
   71    73    74    75  -0.11250  1.0 3.0
   71    73    74    42  -0.95700  1.0 1.0
   71    73    74    42  -0.18200 -1.0 2.0
   71    73    74    42   0.29450  1.0 3.0
   71    73    74    82  -0.95700  1.0 1.0
   71    73    74    82  -0.18200 -1.0 2.0
   71    73    74    82   0.29450  1.0 3.0
   71    73    76    77  -0.11250  1.0 3.0
   71    73    76    78  -0.11250  1.0 3.0
   71    73    76    79  -0.11250  1.0 3.0
   71    73    80    81   0.91850  1.0 1.0
   71    73    80    81   0.57950  1.0 3.0
   72    71    73    74   0.30150 -1.0 2.0
   72    71    73    76   0.30150 -1.0 2.0
   72    71    73    80   0.30150 -1.0 2.0
   73    74    42    39   0.34400  1.0 1.0
   73    74    42    39   0.09450 -1.0 2.0
   73    74    42    39   0.11100  1.0 3.0
   73    74    42    43   0.15000  1.0 3.0
   73    74    42    45   0.56750  1.0 1.0
   73    74    42    45  -0.07550 -1.0 2.0
   73    74    42    45   0.20000  1.0 3.0
   73    74    82    83   0.15000  1.0 3.0
   73    74    82    84   0.15000  1.0 3.0
   73    74    82    85   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81  -0.11600  1.0 1.0
   74    73    80    81  -0.09450 -1.0 2.0
   74    73    80    81   0.21250  1.0 3.0
   74    42    45    46   0.15000  1.0 3.0
   74    42    45    47   0.15000  1.0 3.0
   74    42    45    48   0.15000  1.0 3.0
   75    74    42    39   0.15000  1.0 3.0
   75    74    42    43   0.15000  1.0 3.0
   75    74    42    45   0.15000  1.0 3.0
   75    74    82    83   0.15000  1.0 3.0
   75    74    82    84   0.15000  1.0 3.0
   75    74    82    85   0.15000  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    44   7.00000 -1.0 2.0
   42    74    82    83   0.15000  1.0 3.0
   42    74    82    84   0.15000  1.0 3.0
   42    74    82    85   0.15000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   82    74    42    39   0.34400  1.0 1.0
   82    74    42    39   0.09450 -1.0 2.0
   82    74    42    39   0.11100  1.0 3.0
   82    74    42    43   0.15000  1.0 3.0
   82    74    42    45   0.56750  1.0 1.0
   82    74    42    45  -0.07550 -1.0 2.0
   82    74    42    45   0.20000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    42   0.56750  1.0 1.0
   76    73    74    42  -0.07550 -1.0 2.0
   76    73    74    42   0.20000  1.0 3.0
   76    73    74    82   0.56750  1.0 1.0
   76    73    74    82  -0.07550 -1.0 2.0
   76    73    74    82   0.20000  1.0 3.0
   76    73    80    81  -0.11600  1.0 1.0
   76    73    80    81  -0.09450 -1.0 2.0
   76    73    80    81   0.21250  1.0 3.0
   80    73    74    75   0.23400  1.0 3.0
   80    73    74    42   0.86500  1.0 1.0
   80    73    74    42  -0.17500 -1.0 2.0
   80    73    74    42   0.20800  1.0 3.0
   80    73    74    82   0.86500  1.0 1.0
   80    73    74    82  -0.17500 -1.0 2.0
   80    73    74    82   0.20800  1.0 3.0
   80    73    76    77   0.23400  1.0 3.0
   80    73    76    78   0.23400  1.0 3.0
   80    73    76    79   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
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
   37    30    36    38  10.50000 -1.0 2.0
   33    42    39    40   1.10000 -1.0 2.0
   41    44    40    39   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
END
