* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    163    258     486
    1     0 S   NP   _N1_     1    28.74917    94.00682   -20.61648
    2     1 S   H    _HN1     2     1.02962    96.92116    33.26492
    3     1 S   H    _H1_     3     1.02838    27.87715   146.92477
    4     1 S   H    _H2_     4     1.02778    87.35201   -74.89580
    5     1 S   CT   _CA1     5     1.50133   137.74760   164.23366
    6     5 S   HC   _HA1     6     1.09569   105.24686    50.63839
    7     5 S   CO3  _C1_     7     1.53829   112.33679   -69.61104
    8     7 S   O2Z  _O11     8     1.26360   115.00513   -43.00063
    9     7 S   O2Z  _O12     9     1.26233   114.93918   136.17351
   10     5 S   CT   _CB1    10     1.53100   107.41459   168.61791
   11    10 S   HC   HB11    11     1.09817   109.43605   -49.60222
   12    10 S   HC   HB12    12     1.09830   110.35313    66.97777
   13    10 S   CT   _CG1    13     1.53008   112.69118  -170.73183
   14    13 S   HC   HG11    14     1.09523   110.33050   -60.57405
   15    13 S   HC   HG12    15     1.09627   110.17198    58.55364
   16    13 S   C    _CD1    16     1.51813   112.16214   178.70563
   17    16 S   O    _OE1    17     1.22730   123.15317   -13.09688
   18    16 S   N    _N2_    18     1.38589   111.72706   167.64824
   19    18 S   H    _HN2    19     1.01593   119.01625     1.27748
   20    18 S   CT1  _CA2    20     1.46296   123.46484  -177.78089
   21    20 S   HC   _HA2    21     1.09734   109.42339   -14.02243
   22    20 S   C    _C2_    22     1.53397   108.24834  -129.76956
   23    22 S   O    _O2_    23     1.23010   122.29306  -145.31165
   24    20 S   CT   _CB2    32     1.53637   111.23098   108.14547
   25    24 S   HC   HB21    33     1.09372   108.82786    53.72857
   26    24 S   HC   HB22    34     1.09413   110.24266   172.74374
   27    22 S   N    _N3_    24     1.38519   113.32407    42.05012
   28    27 S   H    _HN3    25     1.01528   118.91976    -0.55778
   29    24 S   S    _SG2    35     1.82844   111.13670   -67.13585
   30    27 S   CT   _CA3    26     1.45444   123.39217   175.09164
   31    30 S   HC   HA31    27     1.09527   109.16707    25.70821
   32    30 S   HC   HA32    28     1.09494   107.13872   142.70624
   33    29 S   CT   _C9_    36     1.88035   102.50912   175.24634
   34    30 S   CO3  _C3_    29     1.52931   113.16778   -97.71603
   35    34 S   O2Z  _O31    30     1.26398   115.43038   -43.77548
   36    34 S   O2Z  _O32    31     1.26358   114.96387   137.16191
   37    33 S   CM   _C8_    37     1.50826   105.50087    69.21671
   38    37 S   HC   _H11    38     1.08773   116.85352   -83.72782
   39    33 S   CT   _C10    60     1.53412   115.04652   -48.35809
   40    39 S   HC   _H12    61     1.09870   110.14606   177.25926
   41    39 S   HC   _H13    62     1.09613   111.85408    59.88728
   42    37 S   CM   _C7_    39     1.33701   124.41009    93.44506
   43    42 S   CO4  _C16    40     1.48776   116.72810     0.00000
   44    43 S   O    _O34    41     1.23221   119.16774  -156.99866
   45    42 S   CT   _C5_    75     1.51605   125.40765  -177.61879
   46    45 S   HC   _H7_    76     1.09823   108.22457  -154.94924
   47    43 S   CMA  _C15    42     1.52490   118.85885    25.74527
   48    47 S   OM   _O35    43     1.26405   111.95727   152.96557
   49    45 S   CT   _C4_    77     1.53343   113.83412   -37.60799
   50    49 S   HC   _H4_    78     1.09524   112.09257    68.78706
   51    49 S   HC   _H5_    79     1.09551   111.05546   -52.51325
   52    49 S   HC   _H6_    80     1.09579   110.30059  -171.72040
   53    45 S   CT   _C6_    81     1.53077   110.60464    87.00360
   54    53 S   HC   _H8_    82     1.09596   111.44149   -63.49744
   55    53 S   HC   _H9_    83     1.09542   110.66003   176.52351
   56    53 S   HC   _H10    84     1.09538   111.32621    56.94021
   57    33 S   CM   _C14    44     1.54337   107.01442  -170.65418
   58    57 S   CT   _C13    45     1.60113   115.68107    89.52437
   59    58 S   CT   _C17    46     1.56079   111.26482  -137.94060
   60    59 S   HC   _H14    47     1.09862   109.16175    49.10038
   61    59 S   HC   _H15    48     1.09373   111.29105   -68.54114
   62    58 S   CT   _C23    71     1.55210   106.61119   103.13528
   63    62 S   HC   _H26    72     1.09005   112.79576   162.26354
   64    62 S   HC   _H27    73     1.09532   112.05542    43.95167
   65    62 S   HC   _H28    74     1.09375   112.44194   -76.14922
   66    59 S   CT   _C18    49     1.52715   115.19101   171.26869
   67    66 S   HC   _H16    50     1.09450   110.64065    68.18333
   68    66 S   HC   _H17    51     1.09708   108.72581  -176.10363
   69    66 S   CT   _C19    52     1.51752   112.11063   -55.72057
   70    69 S   HC   _H18    53     1.09763   109.09956   179.37349
   71    69 S   HC   _H19    54     1.09885   107.99837   -65.78341
   72    69 S   CT   _C20    55     1.54753   113.55764    55.80953
   73    58 S   CT   _C12    56     1.58015   111.09210   -18.88429
   74    73 S   HC   _H3_    57     1.09720   105.60851   -56.63625
   75    72 S   CT   _C21    63     1.55364   105.75226  -169.96377
   76    75 S   HC   _H20    64     1.09306   112.63936  -170.73422
   77    75 S   HC   _H21    65     1.09512   111.25005    68.00600
   78    75 S   HC   _H22    66     1.09683   110.93541   -51.35819
   79    72 S   CT   _C22    67     1.54065   109.77334    74.90106
   80    79 S   HC   _H23    68     1.09319   112.31014  -174.63875
   81    79 S   HC   _H24    69     1.09720   110.47644    66.20843
   82    79 S   HC   _H25    70     1.08932   113.25963   -52.28765
   83    73 S   CO4  _C11    58     1.53231   109.87537    55.09178
   84    83 S   O    _O33    59     1.23048   123.76714   143.96334
  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  11   5   4   3
  17   2   1   1  15   5  11   5   4  15   9   4  10   8   6   2
   7   3   2   1   3   2   1   1  13  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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    57    58    83    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    47    48    57    58    59    73    83    84    39    40    41    62    45  
   35    36  
   36  
    0  
   38    42    43    44    47    57    58    83    39    40    41    45    46    49    53  
   42    43    57    39    45  
   40    41    42    47    57    58    72    73    74    83    84  
   41    57    73    83    84  
   57    73    83    84  
   43    44    47    48    57    45    46    49    50    51    52    53    54    55    56  
   44    47    48    57    58    45    46    49    53  
   47    48    57    45  
   46    49    50    51    52    53    54    55    56    47  
   49    50    51    52    53    54    55    56  
   48    57    58    59    73    62  
   57    58  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    66    72    73    74    83    62    63    64    65  
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   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   2.4200   0.0150   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   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    57   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   320.000  1.462
   42    45   317.000  1.510
   43    44   570.000  1.229
   43    47   270.000  1.476
   47    48   745.000  1.250
   47    57   465.000  1.376
   57    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   317.000  1.522
   83    84   570.000  1.229
   83    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   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
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    53   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    57    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    47    70.00000  124.00000
   33    57    58    65.00000  117.92700
   33    39    83    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  118.96000
   37    42    45    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    43    44    80.00000  123.72100
   42    43    47    65.00000  118.65900
   42    45    46    35.00000  109.50000
   42    45    49    70.00000  112.02700
   42    45    53    70.00000  112.02700
   43    47    48    85.00000  116.28000
   43    47    57    65.00000  114.61000
   47    43    44    80.00000  120.81000
   47    57    58    70.00000  124.00000
   57    33    37    70.00000  110.12100
   57    47    48    65.00000  137.10300
   57    58    59    70.00000  112.02700
   57    58    73    70.00000  112.02700
   57    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    63.00000  111.10000
   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    63.00000  111.10000
   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    80.00000  120.40000
   73    83    39    70.00000  116.00000
   83    73    74    35.00000  109.50000
   83    39    40    35.00000  109.50000
   83    39    41    35.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    57    70.00000  112.02700
   39    83    84    80.00000  120.40000
   41    39    40    33.00000  107.80000
   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
   45    42    43    65.00000  116.34900
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    56    37.50000  110.70000
   49    45    46    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    49    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    57  -0.62250  1.0 1.0
   24    29    33    57  -0.38450 -1.0 2.0
   24    29    33    57   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    47   0.42700  1.0 1.0
   29    33    57    47  -0.70350 -1.0 2.0
   29    33    57    47  -0.43150  1.0 3.0
   29    33    57    58   0.30250  1.0 1.0
   29    33    57    58  -0.14950 -1.0 2.0
   29    33    57    58   0.36900  1.0 3.0
   29    33    39    83   0.56750  1.0 1.0
   29    33    39    83  -0.07550 -1.0 2.0
   29    33    39    83   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    45   7.00000 -1.0 2.0
   33    57    58    59   0.46850  1.0 1.0
   33    57    58    59   0.08550 -1.0 2.0
   33    57    58    59   0.09800  1.0 3.0
   33    57    58    73   0.46850  1.0 1.0
   33    57    58    73   0.08550 -1.0 2.0
   33    57    58    73   0.09800  1.0 3.0
   33    57    58    62   0.46850  1.0 1.0
   33    57    58    62   0.08550 -1.0 2.0
   33    57    58    62   0.09800  1.0 3.0
   37    33    57    47  -0.28300  1.0 1.0
   37    33    57    47   0.26700 -1.0 2.0
   37    33    57    47  -0.63300  1.0 3.0
   37    33    57    58   0.09700  1.0 1.0
   37    33    57    58   0.15600 -1.0 2.0
   37    33    57    58  -0.50800  1.0 3.0
   37    33    39    83  -0.98800  1.0 1.0
   37    33    39    83   0.48800 -1.0 2.0
   37    33    39    83   0.76800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    43    44   1.00000 -1.0 2.0
   37    42   -43    47  -1.18350  1.0 1.0
   37    42   -43    47   1.45950 -1.0 2.0
   37    42    45    46   0.00000  1.0 1.0
   37    42    45    49   0.09850  1.0 1.0
   37    42    45    49   0.15250 -1.0 2.0
   37    42    45    49  -0.50650  1.0 3.0
   37    42    45    53   0.09850  1.0 1.0
   37    42    45    53   0.15250 -1.0 2.0
   37    42    45    53  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    45   7.00000 -1.0 2.0
   42    43    47    48   1.50000 -1.0 2.0
   42    43    47    57  -1.18350  1.0 1.0
   42    43    47    57   1.45950 -1.0 2.0
   42    45    49    50   0.15000  1.0 3.0
   42    45    49    51   0.15000  1.0 3.0
   42    45    49    52   0.15000  1.0 3.0
   42    45    53    54   0.15000  1.0 3.0
   42    45    53    55   0.15000  1.0 3.0
   42    45    53    56   0.15000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    49   0.09700  1.0 1.0
   43    42    45    49   0.15600 -1.0 2.0
   43    42    45    49  -0.50800  1.0 3.0
   43    42    45    53   0.09700  1.0 1.0
   43    42    45    53   0.15600 -1.0 2.0
   43    42    45    53  -0.50800  1.0 3.0
   43    47   -57    33   7.00000 -1.0 2.0
   43    47    57    58   7.00000 -1.0 2.0
   44    43    47    48  -0.11900  1.0 1.0
   44    43    47    48   0.76850 -1.0 2.0
   44    43    47    48   0.14100  1.0 3.0
   44    43    47    57   1.00000 -1.0 2.0
   47    57    58    59   0.09850  1.0 1.0
   47    57    58    59   0.15250 -1.0 2.0
   47    57    58    59  -0.50650  1.0 3.0
   47    57    58    73   0.09850  1.0 1.0
   47    57    58    73   0.15250 -1.0 2.0
   47    57    58    73  -0.50650  1.0 3.0
   47    57    58    62   0.09850  1.0 1.0
   47    57    58    62   0.15250 -1.0 2.0
   47    57    58    62  -0.50650  1.0 3.0
   48    47    57    33   7.00000 -1.0 2.0
   48    47    57    58   7.00000 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42  -0.28300  1.0 1.0
   57    33   -37    42   0.26700 -1.0 2.0
   57    33   -37    42  -0.63300  1.0 3.0
   57    33    39    83  -0.98800  1.0 1.0
   57    33    39    83   0.48800 -1.0 2.0
   57    33    39    83   0.76800  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    58    59    60   0.15000  1.0 3.0
   57    58    59    61   0.15000  1.0 3.0
   57    58    59    66   0.34400  1.0 1.0
   57    58    59    66   0.09450 -1.0 2.0
   57    58    59    66   0.11100  1.0 3.0
   57    58    73    72   0.34400  1.0 1.0
   57    58    73    72   0.09450 -1.0 2.0
   57    58    73    72   0.11100  1.0 3.0
   57    58    73    74   0.15000  1.0 3.0
   57    58   -73    83  -0.98800  1.0 1.0
   57    58   -73    83   0.48800 -1.0 2.0
   57    58   -73    83   0.76800  1.0 3.0
   57    58    62    63   0.15000  1.0 3.0
   57    58    62    64   0.15000  1.0 3.0
   57    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   0.30150 -1.0 2.0
   58    73    83    39   0.60050  1.0 1.0
   58    73    83    39   0.05600 -1.0 2.0
   58    73    83    39   0.26150  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  -0.95700  1.0 1.0
   59    58    73    83  -0.18200 -1.0 2.0
   59    58    73    83   0.29450  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  -0.95700  1.0 1.0
   69    72    73    83  -0.18200 -1.0 2.0
   69    72    73    83   0.29450  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   0.30150 -1.0 2.0
   72    73    83    39   0.60050  1.0 1.0
   72    73    83    39   0.05600 -1.0 2.0
   72    73    83    39   0.26150  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   0.60050  1.0 1.0
   73    83   -39    33   0.05600 -1.0 2.0
   73    83   -39    33   0.26150  1.0 3.0
   73    83    39    40   0.00000  1.0 1.0
   73    83    39    41   0.00000  1.0 1.0
   74    73    83    84   0.00000  1.0 1.0
   74    73    83    39   0.00000  1.0 1.0
   84    83    39    33   0.30150 -1.0 2.0
   84    83    39    40   0.00000  1.0 1.0
   84    83    39    41   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    47   0.09850  1.0 1.0
   39    33    57    47   0.15250 -1.0 2.0
   39    33    57    47  -0.50650  1.0 3.0
   39    33   -57    58   0.46850  1.0 1.0
   39    33   -57    58   0.08550 -1.0 2.0
   39    33   -57    58   0.09800  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  -0.95700  1.0 1.0
   75    72    73    83  -0.18200 -1.0 2.0
   75    72    73    83   0.29450  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  -0.95700  1.0 1.0
   79    72    73    83  -0.18200 -1.0 2.0
   79    72    73    83   0.29450  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  -0.95700  1.0 1.0
   62    58    73    83  -0.18200 -1.0 2.0
   62    58    73    83   0.29450  1.0 3.0
   45    42    43    44  -0.64400  1.0 1.0
   45    42    43    44   0.26850 -1.0 2.0
   45    42    43    47   1.50000 -1.0 2.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   49    45    53    54   0.15000  1.0 3.0
   49    45    53    55   0.15000  1.0 3.0
   49    45    53    56   0.15000  1.0 3.0
   53    45    49    50   0.15000  1.0 3.0
   53    45    49    51   0.15000  1.0 3.0
   53    45    49    52   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    42   1.10000 -1.0 2.0
   43    45    42    37   1.10000 -1.0 2.0
   42    47    43    44  10.50000 -1.0 2.0
   43    48    47    57   1.10000 -1.0 2.0
   33    58    57    47   1.10000 -1.0 2.0
   73    39    83    84  10.50000 -1.0 2.0
END
