* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    156    236     462
    1     0 S   NP   _N1_     1    29.50005    96.51327   -20.07566
    2     1 S   H    _HN1     2     1.02954    90.17556    42.81514
    3     1 S   H    _H1_     3     1.02840    45.22453   157.21792
    4     1 S   H    _H2_     4     1.02797    74.22687   -66.08092
    5     1 S   CT   _CA1     5     1.50071   153.70052  -174.21030
    6     5 S   HC   _HA1     6     1.09576   105.33355    38.30680
    7     5 S   CO3  _C1_     7     1.53834   112.11311   -81.99559
    8     7 S   O2Z  _O11     8     1.26335   115.24030   -52.95943
    9     7 S   O2Z  _O12     9     1.26230   114.83897   126.35474
   10     5 S   CT   _CB1    10     1.53033   107.40336   156.09301
   11    10 S   HC   HB11    11     1.09820   109.55668   -51.04024
   12    10 S   HC   HB12    12     1.09847   110.29381    65.44480
   13    10 S   CT   _CG1    13     1.53061   112.67696  -172.22002
   14    13 S   HC   HG11    14     1.09520   110.22807   -55.61224
   15    13 S   HC   HG12    15     1.09578   110.46023    63.66482
   16    13 S   C    _CD1    16     1.51689   111.45992  -176.11607
   17    16 S   O    _OE1    17     1.22780   122.92424   -21.07723
   18    16 S   N    _N2_    18     1.38430   112.01995   159.15615
   19    18 S   H    _HN2    19     1.01717   119.58981     3.58556
   20    18 S   CT1  _CA2    20     1.46209   123.31969  -173.00841
   21    20 S   HC   _HA2    21     1.09732   109.36444   -14.55919
   22    20 S   C    _C2_    22     1.53265   109.11404  -130.48259
   23    22 S   O    _O2_    23     1.23040   122.38589  -150.34830
   24    20 S   CT   _CB2    32     1.53466   110.45824   107.10094
   25    24 S   HC   HB21    33     1.09520   109.92821    54.17181
   26    24 S   HC   HB22    34     1.09485   110.96915   173.31786
   27    22 S   N    _N3_    24     1.38360   113.53059    36.96176
   28    27 S   H    _HN3    25     1.01658   119.38905    -3.69999
   29    24 S   S    _SG2    35     1.82552   110.99037   -67.19704
   30    27 S   CT   _CA3    26     1.45260   123.05805   177.56595
   31    30 S   HC   HA31    27     1.09547   107.47668   -65.58303
   32    30 S   HC   HA32    28     1.09566   107.97533    50.81505
   33    29 S   CT   _C10    36     1.82405    99.73996   155.19227
   34    33 S   HC   _H6_    37     1.09361   104.96155    45.47970
   35    30 S   CO3  _C3_    29     1.52905   114.21735   172.81501
   36    35 S   O2Z  _O31    30     1.26345   116.08654    -0.47313
   37    35 S   O2Z  _O32    31     1.26439   114.38943   179.61743
   38    33 S   CM   _C6_    38     1.52791   110.95829   163.74749
   39    38 S   CT   _C7_    39     1.53841   115.16819    85.65791
   40    39 S   HC   _H3_    40     1.09931   109.29110   161.06506
   41    38 S   CMA  _C5_    80     1.36979   122.59783   -97.32471
   42    41 S   OM   _O42    81     1.26958   125.66196  -176.53598
   43    39 S   CT   _C8_    41     1.54854   108.51800    46.25563
   44    43 S   HC   _H4_    42     1.10182   106.78644    63.20493
   45    39 S   CT   _C19    74     1.54493   113.44515   -81.15445
   46    45 S   HC   _H24    75     1.09284   112.56124    66.97065
   47    45 S   HC   _H25    76     1.09595   110.02597  -173.89003
   48    41 S   OS   _O33    82     1.41885   111.93339     2.30469
   49    43 S   CO   _C9_    43     1.54279   111.43952   -52.93198
   50    49 S   HC   _H5_    44     1.09691   111.12192   -63.91630
   51    43 S   CM   _C17    69     1.51525   112.51741  -178.78792
   52    51 S   HC   _H21    70     1.08776   117.73311    73.51320
   53    45 S   CO4  _C20    77     1.50888   112.53927   -56.79089
   54    53 S   O    _O41    78     1.22755   123.25735   134.09492
   55    53 S   HC   _H26    79     1.10310   115.95751   -50.34454
   56    48 S   CT   _C4_    83     1.42763   113.38775   132.88452
   57    56 S   HC   _H12    84     1.09401   107.76084  -170.48872
   58    56 S   HC   _H13    85     1.09475   111.03132    71.53006
   59    56 S   HC   _H14    86     1.09551   111.11573   -52.27553
   60    33 S   OS   _O34    45     1.43228   114.07785   -67.04727
   61    49 S   OS1  _O35    46     1.43468   106.23681   176.73481
   62    51 S   CM   _C18    71     1.33831   123.93848  -107.72673
   63    62 S   HC   _H22    72     1.08455   120.46194  -179.29446
   64    62 S   HC   _H23    73     1.08447   121.55375     0.61992
   65    61 S   CO1  _C11    47     1.42898   114.87075   157.15086
   66    65 S   HC   _H7_    48     1.09672   108.96130   -47.04721
   67    65 S   CT   _C12    49     1.53700   106.84014  -164.84100
   68    67 S   HC   _H8_    50     1.09602   110.48323    59.22327
   69    67 S   CT   _C13    51     1.52755   110.08256  -178.04986
   70    69 S   HC   _H9_    52     1.09554   108.56587   -68.21901
   71    67 S   OH5  _O40    67     1.43206   109.43869   -57.12360
   72    71 S   HO   _H20    68     0.97293   106.73451  -174.10309
   73    69 S   CT   _C14    53     1.53056   111.72109    51.84956
   74    73 S   HC   _H10    54     1.09602   109.78092  -173.01658
   75    69 S   OH5  _O39    65     1.42530   109.73738   174.66917
   76    75 S   HO   _H19    66     0.97290   107.39138   172.97923
   77    73 S   CT   _C15    55     1.53605   109.99567   -51.34767
   78    77 S   HC   _H11    56     1.09767   110.07014   -64.41582
   79    73 S   OH5  _O38    63     1.42847   110.62297    69.93347
   80    79 S   HO   _H18    64     0.97291   107.29266    44.74993
   81    65 S   OS1  _O36    57     1.43153   112.43329    73.87549
   82    77 S   CT   _C16    58     1.52828   111.36086   174.26790
   83    82 S   HC   _H15    59     1.09441   111.08314    47.24521
   84    82 S   HC   _H16    60     1.09479   111.49471   -75.41517
   85    82 S   OH5  _O37    61     1.42244   108.98706   165.74979
   86    85 S   HO   _H17    62     0.97296   107.03343   179.12576
  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   7   5   4   3
  13   5   2   1   1  15  19   9   9   2  15   8   7   4   3   4
  10   4   6   3   2   1   1   3   2   1   1   2   8   2   1   1
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    60    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    49    50    60    61    45    41    42    48  
   38    39    49    60    41  
   36    37  
   37  
    0  
   39    40    43    44    49    60    51    45    46    47    53    41    42    48    56  
   40    43    44    49    50    60    61    51    52    62    45    46    47    53    54    55    41    42    48  
   43    44    49    51    45    46    47    53    41  
   42    48    56    57    58    59    43    45    60  
   48    56  
   44    49    50    60    61    65    51    52    62    63    64    45    46    47    53  
   49    50    60    61    51    52    62    45  
   46    47    53    54    55    49    51  
   47    53    54    55  
   53    54    55  
   56    57    58    59  
   50    60    61    65    66    67    81    51    52    62  
   60    61    65    51  
   52    62    63    64    60    61  
   62    63    64  
   54    55  
   55  
    0  
   57    58    59  
   58    59  
   59  
    0  
   61    65  
   65    66    67    68    69    77    81    71  
   63    64  
   64  
    0  
   66    67    68    69    70    73    77    78    81    82    75    71    72  
   67    68    69    77    81    71  
   68    69    70    73    74    77    81    79    75    76    71    72  
   69    70    73    81    75    71    72  
   70    73    74    77    78    81    82    79    80    75    76    71    72  
   73    74    77    79    75    76    71  
   72    73    75    81  
    0  
   74    77    78    81    82    83    84    85    79    80    75    76  
   77    78    81    82    79    80    75  
   76    77    79  
    0  
   78    81    82    83    84    85    86    79    80  
   81    82    83    84    85    79  
   80    81    82  
    0  
   82    83    84    85  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.5000   0.0660   0.145000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    60   320.000  1.410
   38    39   317.000  1.510
   38    41   465.000  1.376
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    45   268.000  1.529
   43    44   340.000  1.090
   43    49   250.000  1.527
   43    51   317.000  1.510
   49    50   340.000  1.090
   49    60   320.000  1.380
   49    61   320.000  1.380
   61    65   370.000  1.399
   65    66   360.000  1.097
   65    67   255.000  1.525
   65    81   370.000  1.399
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   268.000  1.529
   73    79   355.000  1.421
   77    78   340.000  1.090
   77    81   335.000  1.422
   77    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   355.000  1.421
   85    86   580.000  0.967
   79    80   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   51    52   340.000  1.080
   51    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    53   317.000  1.522
   53    54   570.000  1.229
   53    55   340.000  1.090
   41    42   745.000  1.250
   41    48   440.000  1.360
   48    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    60    85.00000  114.68000
   33    38    39    65.00000  117.92700
   33    38    41    70.00000  124.00000
   33    60    49    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    43    70.00000  112.02700
   38    39    45    70.00000  112.02700
   38    41    42    65.00000  137.10300
   38    41    48    80.00000  120.01400
   39    43    44    37.50000  110.70000
   39    43    49    75.00000  109.43000
   39    43    51    70.00000  112.02700
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    53    63.00000  111.10000
   43    39    40    37.50000  110.70000
   43    49    50    45.00000  112.01100
   43    49    60    90.00000  108.56700
   43    49    61    90.00000  108.56700
   43    51    52    35.00000  117.00000
   43    51    62    70.00000  124.00000
   49    43    44    45.00000  108.72000
   49    61    65    90.00000  112.10700
   60    33    34    35.00000  109.50000
   60    33    38    85.00000  110.90400
   60    49    50    35.00000  109.50000
   61    49    50    35.00000  109.50000
   61    49    60    92.60000  111.55000
   61    65    66    60.00000  105.75400
   61    65    67    90.00000  109.70700
   61    65    81   110.00000  113.16000
   65    67    68    45.00000  109.54000
   65    67    69    70.00000  111.10000
   65    67    71    90.00000  109.42000
   65    81    77    90.00000  112.10700
   67    65    66    45.00000  111.65000
   67    69    70    37.50000  110.70000
   67    69    73    58.35000  112.70000
   67    69    75    90.00000  111.45300
   67    71    72    65.00000  108.53500
   69    67    68    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    58.35000  112.70000
   69    73    79    90.00000  111.45300
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    81    95.00000  107.88500
   73    77    82    58.35000  112.70000
   73    79    80    65.00000  108.53500
   77    73    74    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    90.00000  111.45300
   81    65    66    60.00000  105.75400
   81    65    67    90.00000  109.70700
   81    77    78    55.00000  108.98800
   82    77    78    37.50000  110.70000
   82    77    81    95.00000  107.88500
   82    85    86    65.00000  108.53500
   84    82    83    33.00000  107.80000
   85    82    83    60.00000  109.39000
   85    82    84    60.00000  109.39000
   79    73    74    60.00000  109.39000
   79    73    77    90.00000  111.45300
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    67    68    60.00000  109.39000
   71    67    69    90.00000  111.45300
   51    43    44    35.00000  109.50000
   51    43    49    70.00000  112.02700
   51    62    63    35.00000  120.00000
   51    62    64    35.00000  120.00000
   62    51    52    35.00000  120.00000
   64    62    63    35.00000  117.00000
   45    39    40    37.50000  110.70000
   45    39    43    58.35000  112.70000
   45    53    54    80.00000  120.40000
   45    53    55    35.00000  115.00000
   47    45    46    33.00000  107.80000
   53    45    46    35.00000  109.50000
   53    45    47    35.00000  109.50000
   55    53    54    35.00000  123.00000
   41    38    39    70.00000  124.00000
   41    48    56    90.00000  111.18400
   48    41    42    65.00000  121.00000
   48    56    57    35.00000  109.50000
   48    56    58    35.00000  109.50000
   48    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    60   0.13850  1.0 1.0
   24    29    33    60  -1.34450 -1.0 2.0
   24    29    33    60   0.57400  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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    60    49   0.14700  1.0 1.0
   29    33    60    49  -1.16150 -1.0 2.0
   29    33    60    49   0.48700  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    43   0.46850  1.0 1.0
   33    38    39    43   0.08550 -1.0 2.0
   33    38    39    43   0.09800  1.0 3.0
   33    38    39    45   0.46850  1.0 1.0
   33    38    39    45   0.08550 -1.0 2.0
   33    38    39    45   0.09800  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    48   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    60    49   0.37050  1.0 3.0
   38    33    60    49  -0.77900  1.0 1.0
   38    33    60    49  -0.36900 -1.0 2.0
   38    33    60    49   0.40400  1.0 3.0
   38    39    43    44   0.15000  1.0 3.0
   38    39   -43    49   0.34400  1.0 1.0
   38    39   -43    49   0.09450 -1.0 2.0
   38    39   -43    49   0.11100  1.0 3.0
   38    39    43    51   0.31000  1.0 1.0
   38    39    43    51   0.14700 -1.0 2.0
   38    39    43    51   0.07550  1.0 3.0
   38    39    45    46   0.15000  1.0 3.0
   38    39    45    47   0.15000  1.0 3.0
   38    39    45    53  -0.98800  1.0 1.0
   38    39    45    53   0.48800 -1.0 2.0
   38    39    45    53   0.76800  1.0 3.0
   38    41    48    56  -2.26850  1.0 1.0
   38    41    48    56   3.39050 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    48   7.00000 -1.0 2.0
   39    43    49    50   0.15000  1.0 3.0
   39    43    49    60   0.62750  1.0 1.0
   39    43    49    60  -0.30950 -1.0 2.0
   39    43    49    60   0.27300  1.0 3.0
   39    43    49    61   0.62750  1.0 1.0
   39    43    49    61  -0.30950 -1.0 2.0
   39    43    49    61   0.27300  1.0 3.0
   39    43    51    52   0.00000  1.0 1.0
   39    43    51    62   0.09850  1.0 1.0
   39    43    51    62   0.15250 -1.0 2.0
   39    43    51    62  -0.50650  1.0 3.0
   39    45    53    54   0.30150 -1.0 2.0
   39    45    53    55   0.74550  1.0 1.0
   39    45    53    55  -0.00500 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    49   0.15000  1.0 3.0
   40    39    43    51   0.15000  1.0 3.0
   40    39    45    46   0.15000  1.0 3.0
   40    39    45    47   0.15000  1.0 3.0
   40    39    45    53  -0.11250  1.0 3.0
   43    39    45    46   0.15000  1.0 3.0
   43    39    45    47   0.15000  1.0 3.0
   43    39    45    53  -0.95700  1.0 1.0
   43    39    45    53  -0.18200 -1.0 2.0
   43    39    45    53   0.29450  1.0 3.0
   43    49   -60    33   0.06250  1.0 1.0
   43    49   -60    33  -0.01100 -1.0 2.0
   43    49   -60    33   0.28050  1.0 3.0
   43    49    61    65   0.06250  1.0 1.0
   43    49    61    65  -0.01100 -1.0 2.0
   43    49    61    65   0.28050  1.0 3.0
   43    51    62    63   7.00000 -1.0 2.0
   43    51    62    64   7.00000 -1.0 2.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    60   0.23400  1.0 3.0
   44    43    49    61   0.23400  1.0 3.0
   44    43    51    52   0.33100  1.0 3.0
   44    43    51    62   0.00000  1.0 1.0
   49    43    51    52   0.00000  1.0 1.0
   49    43    51    62   0.09850  1.0 1.0
   49    43    51    62   0.15250 -1.0 2.0
   49    43    51    62  -0.50650  1.0 3.0
   49    61    65    66   0.37050  1.0 3.0
   49    61    65    67   0.06250  1.0 1.0
   49    61    65    67  -0.01100 -1.0 2.0
   49    61    65    67   0.28050  1.0 3.0
   49    61    65    81  -0.12700  1.0 1.0
   49    61    65    81  -1.16200 -1.0 2.0
   49    61    65    81   0.58800  1.0 3.0
   50    49    60    33   0.37050  1.0 3.0
   50    49    61    65   0.37050  1.0 3.0
   60    33   -38    39   0.09700  1.0 1.0
   60    33   -38    39   0.15600 -1.0 2.0
   60    33   -38    39  -0.50800  1.0 3.0
   60    33    38    41   0.39000  1.0 1.0
   60    33    38    41  -0.05800 -1.0 2.0
   60    33    38    41  -0.55150  1.0 3.0
   60    49    61    65  -0.53350  1.0 1.0
   60    49    61    65  -0.78350 -1.0 2.0
   60    49    61    65   0.33750  1.0 3.0
   61    49    60    33  -0.81800  1.0 1.0
   61    65    67    68   0.23400  1.0 3.0
   61    65    67    69   0.62750  1.0 1.0
   61    65    67    69  -0.30950 -1.0 2.0
   61    65    67    69   0.27300  1.0 3.0
   61    65    67    71   1.51850  1.0 1.0
   61    65    81    77  -0.70400  1.0 1.0
   61    65    81    77  -0.90350 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    73   0.56750  1.0 1.0
   65    67    69    73  -0.07550 -1.0 2.0
   65    67    69    73   0.20000  1.0 3.0
   65    67    69    75  -0.47750  1.0 1.0
   65    67    71    72   0.29150  1.0 1.0
   65    67    71    72  -0.28350 -1.0 2.0
   65    67    71    72   0.43600  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    81    77   0.37050  1.0 3.0
   67    65    81    77   0.06250  1.0 1.0
   67    65    81    77  -0.01100 -1.0 2.0
   67    65    81    77   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69   -73    77   0.56750  1.0 1.0
   67    69   -73    77  -0.07550 -1.0 2.0
   67    69   -73    77   0.20000  1.0 3.0
   67    69    73    79  -0.47750  1.0 1.0
   67    69    75    76   0.29150  1.0 1.0
   67    69    75    76  -0.28350 -1.0 2.0
   67    69    75    76   0.43600  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72   0.29150  1.0 1.0
   69    67    71    72  -0.28350 -1.0 2.0
   69    67    71    72   0.43600  1.0 3.0
   69    73    77    78   0.15000  1.0 3.0
   69    73    77    81   0.62750  1.0 1.0
   69    73    77    81  -0.30950 -1.0 2.0
   69    73    77    81   0.27300  1.0 3.0
   69    73    77    82   0.56750  1.0 1.0
   69    73    77    82  -0.07550 -1.0 2.0
   69    73    77    82   0.20000  1.0 3.0
   69    73    79    80   0.29150  1.0 1.0
   69    73    79    80  -0.28350 -1.0 2.0
   69    73    79    80   0.43600  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    79   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    77   -81    65   0.06250  1.0 1.0
   73    77   -81    65  -0.01100 -1.0 2.0
   73    77   -81    65   0.28050  1.0 3.0
   73    77    82    83   0.15000  1.0 3.0
   73    77    82    84   0.15000  1.0 3.0
   73    77    82    85  -0.47750  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    81   0.23400  1.0 3.0
   74    73    77    82   0.15000  1.0 3.0
   74    73    79    80   0.19450  1.0 3.0
   77    73    79    80   0.29150  1.0 1.0
   77    73    79    80  -0.28350 -1.0 2.0
   77    73    79    80   0.43600  1.0 3.0
   77    82    85    86   0.29150  1.0 1.0
   77    82    85    86  -0.28350 -1.0 2.0
   77    82    85    86   0.43600  1.0 3.0
   78    77    81    65   0.37050  1.0 3.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.23400  1.0 3.0
   81    65    67    68   0.23400  1.0 3.0
   81    65   -67    69   0.62750  1.0 1.0
   81    65   -67    69  -0.30950 -1.0 2.0
   81    65   -67    69   0.27300  1.0 3.0
   81    65    67    71   1.51850  1.0 1.0
   81    77    82    83   0.23400  1.0 3.0
   81    77    82    84   0.23400  1.0 3.0
   81    77    82    85   1.51850  1.0 1.0
   82    77    81    65   0.06250  1.0 1.0
   82    77    81    65  -0.01100 -1.0 2.0
   82    77    81    65   0.28050  1.0 3.0
   83    82    85    86   0.19450  1.0 3.0
   84    82    85    86   0.19450  1.0 3.0
   79    73    77    78   0.23400  1.0 3.0
   79    73    77    81   1.51850  1.0 1.0
   79    73    77    82  -0.47750  1.0 1.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77  -0.47750  1.0 1.0
   75    69    73    79   3.77950  1.0 1.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73  -0.47750  1.0 1.0
   71    67    69    75   3.77950  1.0 1.0
   51    43    49    50   0.15000  1.0 3.0
   51    43    49    60   0.61850  1.0 1.0
   51    43    49    60  -0.22750 -1.0 2.0
   51    43    49    60   0.15300  1.0 3.0
   51    43    49    61   0.61850  1.0 1.0
   51    43    49    61  -0.22750 -1.0 2.0
   51    43    49    61   0.15300  1.0 3.0
   52    51    62    63   7.00000 -1.0 2.0
   52    51    62    64   7.00000 -1.0 2.0
   45    39    43    44   0.15000  1.0 3.0
   45    39    43    49   3.97050  1.0 1.0
   45    39    43    51   0.34400  1.0 1.0
   45    39    43    51   0.09450 -1.0 2.0
   45    39    43    51   0.11100  1.0 3.0
   46    45    53    54   0.00000  1.0 1.0
   46    45    53    55   0.00000  1.0 1.0
   47    45    53    54   0.00000  1.0 1.0
   47    45    53    55   0.00000  1.0 1.0
   41    38    39    40   0.00000  1.0 1.0
   41    38    39    43   0.09850  1.0 1.0
   41    38    39    43   0.15250 -1.0 2.0
   41    38    39    43  -0.50650  1.0 3.0
   41    38    39    45   0.09850  1.0 1.0
   41    38    39    45   0.15250 -1.0 2.0
   41    38    39    45  -0.50650  1.0 3.0
   41    48    56    57   0.08050  1.0 3.0
   41    48    56    58   0.08050  1.0 3.0
   41    48    56    59   0.08050  1.0 3.0
   42    41    48    56   2.00000 -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
   33    39    38    41   1.10000 -1.0 2.0
   43    52    51    62  15.00000 -1.0 2.0
   63    64    62    51  15.00000 -1.0 2.0
   45    55    53    54  10.50000 -1.0 2.0
   42    48    41    38   1.10000 -1.0 2.0
END
