* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    163    266     489
    1     0 S   NP   _N1_     1    28.34890    93.46509   -26.31296
    2     1 S   H    _HN1     2     1.02776   112.53447  -113.97460
    3     1 S   H    _H1_     3     1.02958    96.70838    -0.90914
    4     1 S   H    _H2_     4     1.02835    10.34690  -179.10606
    5     1 S   CT   _CA1     5     1.50127   115.37449   115.45301
    6     5 S   HC   _HA1     6     1.09574   105.21926    69.23929
    7     5 S   CO3  _C1_     7     1.53789   112.36470   -50.96121
    8     7 S   O2Z  _O11     8     1.26366   114.99702   -43.88938
    9     7 S   O2Z  _O12     9     1.26235   114.93377   135.22382
   10     5 S   CT   _CB1    10     1.53098   107.42428  -172.84423
   11    10 S   HC   HB11    11     1.09827   109.34572   -50.47719
   12    10 S   HC   HB12    12     1.09816   110.42185    66.08407
   13    10 S   CT   _CG1    13     1.53014   112.66216  -171.54766
   14    13 S   HC   HG11    14     1.09595   110.48428   -64.15994
   15    13 S   HC   HG12    15     1.09656   109.92556    55.03733
   16    13 S   C    _CD1    16     1.51839   112.32744   175.41725
   17    16 S   O    _OE1    17     1.22745   123.29143     0.01978
   18    16 S   N    _N2_    18     1.38552   111.68836   179.97202
   19    18 S   H    _HN2    19     1.01556   119.02199     4.65307
   20    18 S   CT1  _CA2    20     1.45884   122.92953   178.08153
   21    20 S   HC   _HA2    21     1.09715   108.99155    23.27987
   22    20 S   C    _C2_    22     1.52887   106.69828   -93.94643
   23    22 S   O    _O2_    23     1.23008   122.90508   -29.70674
   24    20 S   CT   _CB2    32     1.53384   112.25316   146.50284
   25    24 S   HC   HB21    33     1.09480   109.41938    54.90760
   26    24 S   HC   HB22    34     1.09352   109.59485   173.72730
   27    22 S   N    _N3_    24     1.38470   112.73100   153.06722
   28    27 S   H    _HN3    25     1.01670   120.42391    -1.84907
   29    24 S   S    _SG2    35     1.82914   110.60317   -65.24430
   30    27 S   CT   _CA3    26     1.45364   122.32779   178.62969
   31    30 S   HC   HA31    27     1.09574   107.57912   -60.07671
   32    30 S   HC   HA32    28     1.09572   107.79801    56.19873
   33    29 S   CT   _C16    36     1.89857   103.11624  -172.31007
   34    30 S   CO3  _C3_    29     1.52863   114.46771   178.06366
   35    34 S   O2Z  _O31    30     1.26307   116.10312    -3.04607
   36    34 S   O2Z  _O32    31     1.26454   114.38451   177.02625
   37    33 S   CM   _C21    37     1.52285   105.11691    67.00087
   38    37 S   HC   _H25    38     1.09052   116.06865   -81.28027
   39    33 S   CT   _C15    71     1.54646   108.05691   -51.62194
   40    39 S   HC   _H19    72     1.09650   111.12802    64.00960
   41    39 S   HC   _H20    73     1.09760   110.36675   -53.70077
   42    37 S   CMA  _C20    39     1.35039   126.68084    99.33217
   43    42 S   OM   _O33    40     1.26207   129.26212   179.17173
   44    42 S   CT   _C19    41     1.52454   119.58598    -0.59347
   45    44 S   HC   _H23    42     1.09994   109.10405   114.24616
   46    44 S   HC   _H24    43     1.10014   110.44529  -129.46878
   47    44 S   CT   _C18    44     1.53357   115.34976    -7.78886
   48    47 S   HC   _H21    45     1.09600   109.00996   163.51183
   49    47 S   HC   _H22    46     1.09767   108.25606   -83.53663
   50    33 S   CT   _C17    47     1.59289   111.39978  -173.14662
   51    50 S   CT   _C9_    48     1.59294   110.17005   171.51835
   52    51 S   HC   _H3_    49     1.09783   108.05162    63.54485
   53    50 S   CT   _C22    78     1.55415   112.09360    49.24311
   54    53 S   HC   _H26    79     1.09325   112.27933    60.11098
   55    53 S   HC   _H27    80     1.09423   112.39115   -61.23793
   56    53 S   HC   _H28    81     1.09446   111.59242  -178.85431
   57    51 S   CT   _C8_    50     1.55222   114.14240  -178.79082
   58    57 S   HC   _H11    51     1.09624   110.34128    64.70246
   59    57 S   HC   _H12    52     1.09400   110.76896   -53.87816
   60    51 S   CT   _C10    66     1.55224   112.66143   -53.23602
   61    60 S   HC   _H4_    67     1.09840   108.19307   -64.07129
   62    57 S   CT   _C7_    53     1.53038   112.39965  -174.49263
   63    62 S   HC   _H9_    54     1.09432   109.02899  -176.78722
   64    62 S   HC   _H10    55     1.09678   109.35360    66.51510
   65    60 S   CT   _C14    68     1.52955   110.79539    54.61758
   66    65 S   HC   _H17    69     1.09673   109.95847  -175.89268
   67    65 S   HC   _H18    70     1.09738   110.02742    67.40400
   68    62 S   CM   _C6_    56     1.48986   110.56381   -53.40797
   69    68 S   CM   _C5_    57     1.34075   130.03808  -133.83542
   70    69 S   CT   _C13    58     1.49865   111.23835  -177.69285
   71    70 S   HC   _H15    59     1.09528   110.37714   105.09936
   72    70 S   HC   _H16    60     1.09443   112.18601  -133.20879
   73    69 S   CT   _C4_    74     1.48782   129.01786    -0.06256
   74    73 S   HC   _H6_    75     1.09459   110.18313   119.73098
   75    73 S   HC   _H7_    76     1.09303   112.60874    -0.61294
   76    73 S   HC   _H8_    77     1.09472   110.19983  -120.74740
   77    70 S   CT   _C12    61     1.52760   103.20977   -13.98742
   78    77 S   HC   _H13    62     1.09543   111.53790   143.31522
   79    77 S   HC   _H14    63     1.09781   109.26462   -98.65013
   80    68 S   CT   _C11    64     1.50138   117.87627    48.00012
   81    80 S   HC   _H5_    65     1.09862   108.13772    75.43200
  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  12   5   4   3
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  11   6   5  13   7   9   4   3
   6   2   1  13  12  11   6   5   5   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    65    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    60    65    66    67    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    65    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    60    61    65    66    67    80  
   41    50    60    65    66    67  
   50    60    65    66    67  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    60    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    62    80    60    61    65    53    54    55    56  
   52    57    58    59    62    63    64    68    77    80    81    60    61    65    66    67    53    54    55    56  
   57    58    59    62    80    60    61    65    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    63    64    68    69    80    60    61    65  
   59    62    63    64    68    60  
   62    63    64    68    60  
   61    65    66    67    62    68    69    70    77    78    79    80    81  
   65    66    67    68    77    80    81  
   63    64    68    69    70    77    80    81    73  
   64    68    69    80  
   68    69    80  
   66    67    68    77    80    81  
   67    80  
   80  
   69    70    71    72    77    78    79    80    81    73    74    75    76  
   70    71    72    77    78    79    80    81    73    74    75    76  
   71    72    77    78    79    80    81    73    74    75    76  
   72    77    78    79    80    73  
   77    78    79    80    73  
   74    75    76    77    80  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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  -0.716200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   317.000  1.510
   68    69   549.000  1.340
   68    80   317.000  1.510
   69    70   317.000  1.510
   69    73   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    60   268.000  1.529
   60    61   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    60    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    58.35000  112.70000
   51    60    80    58.35000  112.70000
   51    60    61    37.50000  110.70000
   51    60    65    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    37.50000  110.70000
   57    62    68    70.00000  112.02700
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    68    69    70.00000  124.00000
   62    68    80    65.00000  117.92700
   64    62    63    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    35.00000  109.50000
   68    69    70    70.00000  124.00000
   68    69    73    70.00000  124.00000
   68    80    77    70.00000  112.02700
   68    80    81    35.00000  109.50000
   68    80    60    70.00000  112.02700
   69    70    71    35.00000  109.50000
   69    70    72    35.00000  109.50000
   69    70    77    70.00000  112.02700
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   77    70    71    37.50000  110.70000
   77    70    72    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    60    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    68    69    70.00000  124.00000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    60    61    37.50000  110.70000
   80    60    65    58.35000  112.70000
   60    51    52    37.50000  110.70000
   60    51    57    58.35000  112.70000
   60    80    81    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    39    58.35000  112.70000
   65    60    61    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    41    37.50000  110.70000
   67    65    66    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    65    66    37.50000  110.70000
   39    65    67    37.50000  110.70000
   41    39    40    33.00000  107.80000
   73    69    70    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   53    50    51    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.44750  1.0 1.0
   29    33    50    51  -0.17800 -1.0 2.0
   29    33    50    51   0.20200  1.0 3.0
   29    33    50    53   0.44750  1.0 1.0
   29    33    50    53  -0.17800 -1.0 2.0
   29    33    50    53   0.20200  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  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    44   7.00000 -1.0 2.0
   33    50    51    52   0.15000  1.0 3.0
   33    50    51    57   0.56750  1.0 1.0
   33    50    51    57  -0.07550 -1.0 2.0
   33    50    51    57   0.20000  1.0 3.0
   33    50    51    60   0.56750  1.0 1.0
   33    50    51    60  -0.07550 -1.0 2.0
   33    50    51    60   0.20000  1.0 3.0
   33    50    53    54   0.15000  1.0 3.0
   33    50    53    55   0.15000  1.0 3.0
   33    50    53    56   0.15000  1.0 3.0
   37    33    50    47   0.34400  1.0 1.0
   37    33    50    47   0.09450 -1.0 2.0
   37    33    50    47   0.11100  1.0 3.0
   37    33    50    51   0.34400  1.0 1.0
   37    33    50    51   0.09450 -1.0 2.0
   37    33    50    51   0.11100  1.0 3.0
   37    33    50    53   0.34400  1.0 1.0
   37    33    50    53   0.09450 -1.0 2.0
   37    33    50    53   0.11100  1.0 3.0
   37    33    39    65   0.34400  1.0 1.0
   37    33    39    65   0.09450 -1.0 2.0
   37    33    39    65   0.11100  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    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.34400  1.0 1.0
   42    44    47    50   0.09450 -1.0 2.0
   42    44    47    50   0.11100  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.56750  1.0 1.0
   44    47   -50    33  -0.07550 -1.0 2.0
   44    47   -50    33   0.20000  1.0 3.0
   44    47    50    51   0.56750  1.0 1.0
   44    47    50    51  -0.07550 -1.0 2.0
   44    47    50    51   0.20000  1.0 3.0
   44    47    50    53   0.56750  1.0 1.0
   44    47    50    53  -0.07550 -1.0 2.0
   44    47    50    53   0.20000  1.0 3.0
   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
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    57   0.56750  1.0 1.0
   47    50    51    57  -0.07550 -1.0 2.0
   47    50    51    57   0.20000  1.0 3.0
   47    50    51    60   0.56750  1.0 1.0
   47    50    51    60  -0.07550 -1.0 2.0
   47    50    51    60   0.20000  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50    53    56   0.15000  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    33   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42   0.09850  1.0 1.0
   50    33   -37    42   0.15250 -1.0 2.0
   50    33   -37    42  -0.50650  1.0 3.0
   50    33    39    65   0.56750  1.0 1.0
   50    33    39    65  -0.07550 -1.0 2.0
   50    33    39    65   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    62   0.56750  1.0 1.0
   50    51    57    62  -0.07550 -1.0 2.0
   50    51    57    62   0.20000  1.0 3.0
   50    51    60    80   0.56750  1.0 1.0
   50    51    60    80  -0.07550 -1.0 2.0
   50    51    60    80   0.20000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51   -60    65   0.56750  1.0 1.0
   50    51   -60    65  -0.07550 -1.0 2.0
   50    51   -60    65   0.20000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    57    62    63   0.15000  1.0 3.0
   51    57    62    64   0.15000  1.0 3.0
   51    57    62    68   0.34400  1.0 1.0
   51    57    62    68   0.09450 -1.0 2.0
   51    57    62    68   0.11100  1.0 3.0
   51    60    65    66   0.15000  1.0 3.0
   51    60    65    67   0.15000  1.0 3.0
   51    60    65    39   0.56750  1.0 1.0
   51    60    65    39  -0.07550 -1.0 2.0
   51    60    65    39   0.20000  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    60    80   0.15000  1.0 3.0
   52    51    60    61   0.15000  1.0 3.0
   52    51    60    65   0.15000  1.0 3.0
   57    51    60    80   0.56750  1.0 1.0
   57    51    60    80  -0.07550 -1.0 2.0
   57    51    60    80   0.20000  1.0 3.0
   57    51    60    61   0.15000  1.0 3.0
   57    51    60    65   0.56750  1.0 1.0
   57    51    60    65  -0.07550 -1.0 2.0
   57    51    60    65   0.20000  1.0 3.0
   57    62    68    69   0.09850  1.0 1.0
   57    62    68    69   0.15250 -1.0 2.0
   57    62    68    69  -0.50650  1.0 3.0
   57    62   -68    80   0.46850  1.0 1.0
   57    62   -68    80   0.08550 -1.0 2.0
   57    62   -68    80   0.09800  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    68   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    68   0.15000  1.0 3.0
   62    68    69    70   7.00000 -1.0 2.0
   62    68    69    73   7.00000 -1.0 2.0
   62    68    80    77   0.46850  1.0 1.0
   62    68    80    77   0.08550 -1.0 2.0
   62    68    80    77   0.09800  1.0 3.0
   62    68    80    81   0.34800  1.0 3.0
   62    68    80    60   0.46850  1.0 1.0
   62    68    80    60   0.08550 -1.0 2.0
   62    68    80    60   0.09800  1.0 3.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    80   0.34800  1.0 3.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    80   0.34800  1.0 3.0
   68    69    70    71   0.00000  1.0 1.0
   68    69    70    72   0.00000  1.0 1.0
   68    69   -70    77   0.09850  1.0 1.0
   68    69   -70    77   0.15250 -1.0 2.0
   68    69   -70    77  -0.50650  1.0 3.0
   68    69    73    74   0.00000  1.0 1.0
   68    69    73    75   0.00000  1.0 1.0
   68    69    73    76   0.00000  1.0 1.0
   68    80   -60    51   0.34400  1.0 1.0
   68    80   -60    51   0.09450 -1.0 2.0
   68    80   -60    51   0.11100  1.0 3.0
   68    80    60    61   0.15000  1.0 3.0
   68    80    60    65   0.34400  1.0 1.0
   68    80    60    65   0.09450 -1.0 2.0
   68    80    60    65   0.11100  1.0 3.0
   69    68   -80    77   0.09850  1.0 1.0
   69    68   -80    77   0.15250 -1.0 2.0
   69    68   -80    77  -0.50650  1.0 3.0
   69    68    80    81   0.00000  1.0 1.0
   69    68    80    60   0.09850  1.0 1.0
   69    68    80    60   0.15250 -1.0 2.0
   69    68    80    60  -0.50650  1.0 3.0
   69    70    77    78   0.15000  1.0 3.0
   69    70    77    79   0.15000  1.0 3.0
   69    70   -77    80   0.34400  1.0 1.0
   69    70   -77    80   0.09450 -1.0 2.0
   69    70   -77    80   0.11100  1.0 3.0
   70    69    73    74   0.34800  1.0 3.0
   70    69    73    75   0.34800  1.0 3.0
   70    69    73    76   0.34800  1.0 3.0
   70    77   -80    68   0.34400  1.0 1.0
   70    77   -80    68   0.09450 -1.0 2.0
   70    77   -80    68   0.11100  1.0 3.0
   70    77    80    81   0.15000  1.0 3.0
   70    77    80    60   0.56750  1.0 1.0
   70    77    80    60  -0.07550 -1.0 2.0
   70    77    80    60   0.20000  1.0 3.0
   71    70    77    78   0.15000  1.0 3.0
   71    70    77    79   0.15000  1.0 3.0
   71    70    77    80   0.15000  1.0 3.0
   72    70    77    78   0.15000  1.0 3.0
   72    70    77    79   0.15000  1.0 3.0
   72    70    77    80   0.15000  1.0 3.0
   77    80    60    51   0.56750  1.0 1.0
   77    80    60    51  -0.07550 -1.0 2.0
   77    80    60    51   0.20000  1.0 3.0
   77    80    60    61   0.15000  1.0 3.0
   77    80    60    65   0.56750  1.0 1.0
   77    80    60    65  -0.07550 -1.0 2.0
   77    80    60    65   0.20000  1.0 3.0
   78    77    80    68   0.15000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    60   0.15000  1.0 3.0
   79    77    80    68   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    60   0.15000  1.0 3.0
   80    68   -69    70   7.00000 -1.0 2.0
   80    68    69    73   7.00000 -1.0 2.0
   80    60    65    66   0.15000  1.0 3.0
   80    60    65    67   0.15000  1.0 3.0
   80    60    65    39   0.56750  1.0 1.0
   80    60    65    39  -0.07550 -1.0 2.0
   80    60    65    39   0.20000  1.0 3.0
   81    80    60    51   0.15000  1.0 3.0
   81    80    60    61   0.15000  1.0 3.0
   81    80    60    65   0.15000  1.0 3.0
   60    51    57    58   0.15000  1.0 3.0
   60    51    57    59   0.15000  1.0 3.0
   60    51   -57    62   0.56750  1.0 1.0
   60    51   -57    62  -0.07550 -1.0 2.0
   60    51   -57    62   0.20000  1.0 3.0
   60    65   -39    33   0.56750  1.0 1.0
   60    65   -39    33  -0.07550 -1.0 2.0
   60    65   -39    33   0.20000  1.0 3.0
   60    65    39    40   0.15000  1.0 3.0
   60    65    39    41   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    39   0.15000  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    41   0.15000  1.0 3.0
   67    65    39    33   0.15000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    41   0.15000  1.0 3.0
   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    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   73    69    70    71   0.34800  1.0 3.0
   73    69    70    72   0.34800  1.0 3.0
   73    69    70    77   0.46850  1.0 1.0
   73    69    70    77   0.08550 -1.0 2.0
   73    69    70    77   0.09800  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    60   0.56750  1.0 1.0
   53    50    51    60  -0.07550 -1.0 2.0
   53    50    51    60   0.20000  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
   44    43    42    37   1.10000 -1.0 2.0
   62    80    68    69   1.10000 -1.0 2.0
   70    73    69    68   1.10000 -1.0 2.0
END
