* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    161    256     481
    1     0 S   NP   _N1_     1    28.72846    94.35768   -20.70415
    2     1 S   H    _HN1     2     1.02960    93.65591    29.40594
    3     1 S   H    _H1_     3     1.02836    29.80487   148.04686
    4     1 S   H    _H2_     4     1.02778    87.88087   -78.84557
    5     1 S   CT   _CA1     5     1.50156   140.26175   157.89530
    6     5 S   HC   _HA1     6     1.09574   105.20669    53.97478
    7     5 S   CO3  _C1_     7     1.53812   112.29788   -66.17241
    8     7 S   O2Z  _O11     8     1.26358   114.98530   -43.69475
    9     7 S   O2Z  _O12     9     1.26229   114.90510   135.23389
   10     5 S   CT   _CB1    10     1.53077   107.39080   171.85623
   11    10 S   HC   HB11    11     1.09819   109.34464   -49.99554
   12    10 S   HC   HB12    12     1.09826   110.40615    66.56982
   13    10 S   CT   _CG1    13     1.53001   112.69773  -171.12442
   14    13 S   HC   HG11    14     1.09494   110.31494   -62.37110
   15    13 S   HC   HG12    15     1.09636   110.13305    56.76983
   16    13 S   C    _CD1    16     1.51810   112.21384   176.90250
   17    16 S   O    _OE1    17     1.22748   123.14760   -10.11721
   18    16 S   N    _N2_    18     1.38614   111.77014   170.65967
   19    18 S   H    _HN2    19     1.01603   119.09932     0.22029
   20    18 S   CT1  _CA2    20     1.46264   123.35534  -179.02723
   21    20 S   HC   _HA2    21     1.09738   109.33164   -10.57713
   22    20 S   C    _C2_    22     1.53443   108.65196  -126.25493
   23    22 S   O    _O2_    23     1.23033   122.17365  -148.02026
   24    20 S   CT   _CB2    32     1.53561   111.40612   111.38355
   25    24 S   HC   HB21    33     1.09434   109.14549    56.45049
   26    24 S   HC   HB22    34     1.09448   110.08259   175.17144
   27    22 S   N    _N3_    24     1.38490   113.46485    39.53876
   28    27 S   H    _HN3    25     1.01520   118.87480    -0.93020
   29    24 S   S    _SG2    35     1.83121   111.08589   -65.06781
   30    27 S   CT   _CA3    26     1.45442   123.50858   175.01347
   31    30 S   HC   HA31    27     1.09520   109.29922    23.32706
   32    30 S   HC   HA32    28     1.09497   107.11419   140.34057
   33    29 S   CT   _C9_    36     1.88099   102.08302   169.90913
   34    30 S   CO3  _C3_    29     1.52916   113.04771  -100.18947
   35    34 S   O2Z  _O31    30     1.26407   115.37704   -45.16773
   36    34 S   O2Z  _O32    31     1.26351   114.99936   135.74746
   37    33 S   CM   _C8_    37     1.51511   105.25638    68.12229
   38    37 S   HC   _H11    38     1.08830   116.09067   -79.06520
   39    33 S   CM   _C10    59     1.51110   111.04726   -51.37806
   40    39 S   HC   _H12    60     1.09021   117.56836   101.70428
   41    37 S   CM   _C7_    39     1.34111   125.59126    97.21168
   42    41 S   CO4  _C16    40     1.48655   117.19412     2.41289
   43    42 S   O    _O33    41     1.22893   121.69221  -168.66344
   44    41 S   CT   _C5_    75     1.51774   125.45540  -177.39361
   45    44 S   HC   _H7_    76     1.09825   108.09809  -148.52424
   46    42 S   CM   _C15    42     1.49033   118.51436    14.96120
   47    44 S   CT   _C4_    77     1.53372   114.39215   -31.02454
   48    47 S   HC   _H4_    78     1.09531   112.05094    68.89594
   49    47 S   HC   _H5_    79     1.09547   111.09059   -52.49850
   50    47 S   HC   _H6_    80     1.09583   110.29179  -171.67704
   51    44 S   CT   _C6_    81     1.53109   110.38371    93.55806
   52    51 S   HC   _H8_    82     1.09599   111.37920   -63.36241
   53    51 S   HC   _H9_    83     1.09544   110.68361   176.65479
   54    51 S   HC   _H10    84     1.09536   111.38547    57.06734
   55    33 S   CM   _C14    43     1.53925   106.84176  -171.89579
   56    46 S   OH   _O34    73     1.38012   115.21598   163.29455
   57    56 S   HO   _H13    74     0.97421   107.15140     2.74851
   58    55 S   CT   _C13    44     1.58400   117.13877    87.78132
   59    58 S   CT   _C17    45     1.55393   109.62863  -128.48576
   60    59 S   HC   _H14    46     1.09871   109.20020    50.10260
   61    59 S   HC   _H15    47     1.09417   111.41477   -66.86024
   62    58 S   CT   _C23    69     1.55095   106.33147   112.29171
   63    62 S   HC   _H26    70     1.08723   113.01043   177.47152
   64    62 S   HC   _H27    71     1.09486   112.17141    58.85716
   65    62 S   HC   _H28    72     1.09554   111.81130   -61.05378
   66    59 S   CT   _C18    48     1.52288   114.75475   172.00318
   67    66 S   HC   _H16    49     1.09444   110.51948    66.98302
   68    66 S   HC   _H17    50     1.09698   108.77792  -177.12717
   69    66 S   CT   _C19    51     1.51863   111.61163   -57.07878
   70    69 S   HC   _H18    52     1.09781   108.94429  -178.47543
   71    69 S   HC   _H19    53     1.09887   108.16136   -63.69493
   72    69 S   CT   _C20    54     1.55208   113.70298    58.11510
   73    58 S   CT   _C12    55     1.59628   111.38288    -8.24874
   74    73 S   HC   _H3_    56     1.10206   103.67379   -59.95629
   75    72 S   CT   _C21    61     1.55595   105.49171  -170.72668
   76    75 S   HC   _H20    62     1.09305   112.70930  -169.21526
   77    75 S   HC   _H21    63     1.09488   111.29450    69.32467
   78    75 S   HC   _H22    64     1.09695   110.93921   -49.94151
   79    72 S   CT   _C22    65     1.54381   108.57247    74.98716
   80    79 S   HC   _H23    66     1.09130   113.18793  -172.19181
   81    79 S   HC   _H24    67     1.09767   110.28168    68.62999
   82    79 S   HC   _H25    68     1.08977   113.31080   -49.12861
   83    73 S   CMA  _C11    57     1.55228   109.43349    49.03364
   84    83 S   OM   _O35    58     1.25735   116.21311   131.42600
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  14   5  10   4  15  10   4  10   8   7   7   3
   2   1   3   2   1   1  15   2   1  18  16   7   6   8   3   2
   1   9   5   4  14   5   4  12  11   4   8   3   2   1   4   2
   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    46    55    58    83    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    46    55    58    59    73    83    84    39    40    62    56    44  
   35    36  
   36  
    0  
   38    41    42    43    46    55    58    83    39    40    44    45    47    51  
   41    42    55    39    44  
   40    41    46    55    58    72    73    74    83    84  
   55    73    83    84  
   42    43    46    55    56    44    45    47    48    49    50    51    52    53    54  
   43    46    55    58    56    57    44    45    47    51  
   46    55    56    44  
   45    47    48    49    50    51    52    53    54    46  
   47    48    49    50    51    52    53    54  
   55    58    59    73    62    56    57  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   58    59    60    61    66    72    73    74    83    62    63    64    65    56    57  
   57    58  
    0  
   59    60    61    66    67    68    69    72    73    74    83    84    75    79    62    63    64    65  
   60    61    66    67    68    69    70    71    72    73    74    83    62    63    64    65  
   61    66    67    68    69    73    62  
   66    67    68    69    73    62  
   63    64    65    66    72    73    74    83  
   64    65    73  
   65    73  
   73  
   67    68    69    70    71    72    73    75    79  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    83    75    76    77    78    79    80    81    82  
   71    72    73    75    79  
   72    73    75    79  
   73    74    83    84    75    76    77    78    79    80    81    82  
   74    83    84    75    76    77    78    79    80    81    82  
   83    84    75    79  
   76    77    78    79    80    81    82    83  
   77    78    79  
   78    79  
   79  
   80    81    82    83  
   81    82  
   82  
    0  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   317.000  1.510
   33    39   317.000  1.510
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   320.000  1.462
   41    44   317.000  1.510
   42    43   570.000  1.229
   42    46   320.000  1.462
   46    55   549.000  1.340
   46    56   510.000  1.338
   55    58   317.000  1.510
   58    59   268.000  1.529
   58    73   268.000  1.529
   58    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    83   270.000  1.512
   83    84   745.000  1.250
   83    39   465.000  1.376
   39    40   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   56    57   553.000  0.945
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    55    75.00000  112.20000
   29    33    39    75.00000  112.20000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    55    46    70.00000  124.00000
   33    55    58    65.00000  117.92700
   33    39    83    70.00000  124.00000
   33    39    40    35.00000  117.00000
   37    41    42    65.00000  118.96000
   37    41    44    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    42    43    80.00000  123.72100
   41    42    46    65.00000  118.65900
   41    44    45    35.00000  109.50000
   41    44    47    70.00000  112.02700
   41    44    51    70.00000  112.02700
   42    46    55    65.00000  118.96000
   42    46    56    85.00000  116.28000
   46    42    43    80.00000  123.72100
   46    55    58    70.00000  124.00000
   46    56    57    70.00000  107.45700
   55    33    37    70.00000  110.12100
   55    58    59    70.00000  112.02700
   55    58    73    70.00000  112.02700
   55    58    62    70.00000  112.02700
   58    59    60    37.50000  110.70000
   58    59    61    37.50000  110.70000
   58    59    66    58.35000  112.70000
   58    73    72    58.35000  112.70000
   58    73    74    37.50000  110.70000
   58    73    83    70.00000  112.02700
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    75    58.35000  112.70000
   69    72    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    83    70.00000  112.02700
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    58    59    58.35000  112.70000
   73    83    84    85.00000  112.85300
   73    83    39    65.00000  122.18000
   83    73    74    45.00000  110.52000
   83    39    40    40.00000  120.50800
   39    33    37    70.00000  110.12100
   39    33    55    70.00000  110.12100
   39    83    84    65.00000  137.10300
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    58    59    58.35000  112.70000
   62    58    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   56    46    55    80.00000  121.38400
   44    41    42    65.00000  116.34900
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    37.50000  110.70000
   47    44    45    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55  -0.62250  1.0 1.0
   24    29    33    55  -0.38450 -1.0 2.0
   24    29    33    55   0.81900  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    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    55    46   0.42700  1.0 1.0
   29    33    55    46  -0.70350 -1.0 2.0
   29    33    55    46  -0.43150  1.0 3.0
   29    33    55    58   0.30250  1.0 1.0
   29    33    55    58  -0.14950 -1.0 2.0
   29    33    55    58   0.36900  1.0 3.0
   29    33    39    83   0.42700  1.0 1.0
   29    33    39    83  -0.70350 -1.0 2.0
   29    33    39    83  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    55    58    59   0.46850  1.0 1.0
   33    55    58    59   0.08550 -1.0 2.0
   33    55    58    59   0.09800  1.0 3.0
   33    55    58    73   0.46850  1.0 1.0
   33    55    58    73   0.08550 -1.0 2.0
   33    55    58    73   0.09800  1.0 3.0
   33    55    58    62   0.46850  1.0 1.0
   33    55    58    62   0.08550 -1.0 2.0
   33    55    58    62   0.09800  1.0 3.0
   37    33    55    46  -0.28300  1.0 1.0
   37    33    55    46   0.26700 -1.0 2.0
   37    33    55    46  -0.63300  1.0 3.0
   37    33    55    58   0.09700  1.0 1.0
   37    33    55    58   0.15600 -1.0 2.0
   37    33    55    58  -0.50800  1.0 3.0
   37    33    39    83  -0.28300  1.0 1.0
   37    33    39    83   0.26700 -1.0 2.0
   37    33    39    83  -0.63300  1.0 3.0
   37    33    39    40   0.00000  1.0 1.0
   37    41    42    43   1.00000 -1.0 2.0
   37    41   -42    46  -1.18350  1.0 1.0
   37    41   -42    46   1.45950 -1.0 2.0
   37    41    44    45   0.00000  1.0 1.0
   37    41    44    47   0.09850  1.0 1.0
   37    41    44    47   0.15250 -1.0 2.0
   37    41    44    47  -0.50650  1.0 3.0
   37    41    44    51   0.09850  1.0 1.0
   37    41    44    51   0.15250 -1.0 2.0
   37    41    44    51  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    44   7.00000 -1.0 2.0
   41    42    46    55  -1.18350  1.0 1.0
   41    42    46    55   1.45950 -1.0 2.0
   41    42    46    56   1.50000 -1.0 2.0
   41    44    47    48   0.15000  1.0 3.0
   41    44    47    49   0.15000  1.0 3.0
   41    44    47    50   0.15000  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    54   0.15000  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    47   0.09700  1.0 1.0
   42    41    44    47   0.15600 -1.0 2.0
   42    41    44    47  -0.50800  1.0 3.0
   42    41    44    51   0.09700  1.0 1.0
   42    41    44    51   0.15600 -1.0 2.0
   42    41    44    51  -0.50800  1.0 3.0
   42    46   -55    33   7.00000 -1.0 2.0
   42    46    55    58   7.00000 -1.0 2.0
   42    46    56    57   2.00000 -1.0 2.0
   43    42    46    55   1.00000 -1.0 2.0
   43    42    46    56  -0.11900  1.0 1.0
   43    42    46    56   0.76850 -1.0 2.0
   43    42    46    56   0.14100  1.0 3.0
   46    55    58    59   0.09850  1.0 1.0
   46    55    58    59   0.15250 -1.0 2.0
   46    55    58    59  -0.50650  1.0 3.0
   46    55    58    73   0.09850  1.0 1.0
   46    55    58    73   0.15250 -1.0 2.0
   46    55    58    73  -0.50650  1.0 3.0
   46    55    58    62   0.09850  1.0 1.0
   46    55    58    62   0.15250 -1.0 2.0
   46    55    58    62  -0.50650  1.0 3.0
   55    33    37    38   0.00000  1.0 1.0
   55    33   -37    41  -0.28300  1.0 1.0
   55    33   -37    41   0.26700 -1.0 2.0
   55    33   -37    41  -0.63300  1.0 3.0
   55    33    39    83  -0.28300  1.0 1.0
   55    33    39    83   0.26700 -1.0 2.0
   55    33    39    83  -0.63300  1.0 3.0
   55    33    39    40   0.00000  1.0 1.0
   55    46    56    57  -0.66100  1.0 1.0
   55    46    56    57   1.20850 -1.0 2.0
   55    46    56    57  -0.36000  1.0 3.0
   55    58    59    60   0.15000  1.0 3.0
   55    58    59    61   0.15000  1.0 3.0
   55    58    59    66   0.34400  1.0 1.0
   55    58    59    66   0.09450 -1.0 2.0
   55    58    59    66   0.11100  1.0 3.0
   55    58    73    72   0.34400  1.0 1.0
   55    58    73    72   0.09450 -1.0 2.0
   55    58    73    72   0.11100  1.0 3.0
   55    58    73    74   0.15000  1.0 3.0
   55    58   -73    83   0.31000  1.0 1.0
   55    58   -73    83   0.14700 -1.0 2.0
   55    58   -73    83   0.07550  1.0 3.0
   55    58    62    63   0.15000  1.0 3.0
   55    58    62    64   0.15000  1.0 3.0
   55    58    62    65   0.15000  1.0 3.0
   58    59    66    67   0.15000  1.0 3.0
   58    59    66    68   0.15000  1.0 3.0
   58    59    66    69   0.56750  1.0 1.0
   58    59    66    69  -0.07550 -1.0 2.0
   58    59    66    69   0.20000  1.0 3.0
   58    73    83    84   0.09700  1.0 1.0
   58    73    83    84   0.15600 -1.0 2.0
   58    73    83    84  -0.50800  1.0 3.0
   58    73    83    39   0.09850  1.0 1.0
   58    73    83    39   0.15250 -1.0 2.0
   58    73    83    39  -0.50650  1.0 3.0
   59    58    73    72   0.56750  1.0 1.0
   59    58    73    72  -0.07550 -1.0 2.0
   59    58    73    72   0.20000  1.0 3.0
   59    58    73    74   0.15000  1.0 3.0
   59    58    73    83   0.34400  1.0 1.0
   59    58    73    83   0.09450 -1.0 2.0
   59    58    73    83   0.11100  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    71   0.15000  1.0 3.0
   59    66   -69    72   0.56750  1.0 1.0
   59    66   -69    72  -0.07550 -1.0 2.0
   59    66   -69    72   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   66    69    72    79   0.56750  1.0 1.0
   66    69    72    79  -0.07550 -1.0 2.0
   66    69    72    79   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -73    58   0.56750  1.0 1.0
   69    72   -73    58  -0.07550 -1.0 2.0
   69    72   -73    58   0.20000  1.0 3.0
   69    72    73    74   0.15000  1.0 3.0
   69    72    73    83   0.34400  1.0 1.0
   69    72    73    83   0.09450 -1.0 2.0
   69    72    73    83   0.11100  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.15000  1.0 3.0
   69    72    79    80   0.15000  1.0 3.0
   69    72    79    81   0.15000  1.0 3.0
   69    72    79    82   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    72    79   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   71    69    72    79   0.15000  1.0 3.0
   72    73    83    84   0.09700  1.0 1.0
   72    73    83    84   0.15600 -1.0 2.0
   72    73    83    84  -0.50800  1.0 3.0
   72    73    83    39   0.09850  1.0 1.0
   72    73    83    39   0.15250 -1.0 2.0
   72    73    83    39  -0.50650  1.0 3.0
   73    58    59    60   0.15000  1.0 3.0
   73    58    59    61   0.15000  1.0 3.0
   73    58   -59    66   0.56750  1.0 1.0
   73    58   -59    66  -0.07550 -1.0 2.0
   73    58   -59    66   0.20000  1.0 3.0
   73    58    62    63   0.15000  1.0 3.0
   73    58    62    64   0.15000  1.0 3.0
   73    58    62    65   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    83   -39    33   7.00000 -1.0 2.0
   73    83    39    40   7.00000 -1.0 2.0
   74    73    83    84   0.00000  1.0 1.0
   74    73    83    39   0.00000  1.0 1.0
   84    83    39    33   7.00000 -1.0 2.0
   84    83    39    40   7.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41  -0.28300  1.0 1.0
   39    33    37    41   0.26700 -1.0 2.0
   39    33    37    41  -0.63300  1.0 3.0
   39    33    55    46  -0.28300  1.0 1.0
   39    33    55    46   0.26700 -1.0 2.0
   39    33    55    46  -0.63300  1.0 3.0
   39    33   -55    58   0.09700  1.0 1.0
   39    33   -55    58   0.15600 -1.0 2.0
   39    33   -55    58  -0.50800  1.0 3.0
   75    72    73    58   0.56750  1.0 1.0
   75    72    73    58  -0.07550 -1.0 2.0
   75    72    73    58   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    83   0.34400  1.0 1.0
   75    72    73    83   0.09450 -1.0 2.0
   75    72    73    83   0.11100  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    58   0.56750  1.0 1.0
   79    72    73    58  -0.07550 -1.0 2.0
   79    72    73    58   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    83   0.34400  1.0 1.0
   79    72    73    83   0.09450 -1.0 2.0
   79    72    73    83   0.11100  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   62    58    59    60   0.15000  1.0 3.0
   62    58    59    61   0.15000  1.0 3.0
   62    58    59    66   0.56750  1.0 1.0
   62    58    59    66  -0.07550 -1.0 2.0
   62    58    59    66   0.20000  1.0 3.0
   62    58    73    72   0.56750  1.0 1.0
   62    58    73    72  -0.07550 -1.0 2.0
   62    58    73    72   0.20000  1.0 3.0
   62    58    73    74   0.15000  1.0 3.0
   62    58    73    83   0.34400  1.0 1.0
   62    58    73    83   0.09450 -1.0 2.0
   62    58    73    83   0.11100  1.0 3.0
   56    46    55    33   7.00000 -1.0 2.0
   56    46    55    58   7.00000 -1.0 2.0
   44    41    42    43  -0.64400  1.0 1.0
   44    41    42    43   0.26850 -1.0 2.0
   44    41    42    46   1.50000 -1.0 2.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   47    44    51    52   0.15000  1.0 3.0
   47    44    51    53   0.15000  1.0 3.0
   47    44    51    54   0.15000  1.0 3.0
   51    44    47    48   0.15000  1.0 3.0
   51    44    47    49   0.15000  1.0 3.0
   51    44    47    50   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   42    44    41    37   1.10000 -1.0 2.0
   41    46    42    43  10.50000 -1.0 2.0
   42    56    46    55   1.10000 -1.0 2.0
   33    58    55    46   1.10000 -1.0 2.0
   73    84    83    39   1.10000 -1.0 2.0
   33    40    39    83   1.10000 -1.0 2.0
END
