* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    163    266     489
    1     0 S   NP   _N1_     1    28.87017    96.35347   -24.91270
    2     1 S   H    _HN1     2     1.02827    36.87990  -178.79002
    3     1 S   H    _H1_     3     1.02800   117.24645   -95.16893
    4     1 S   H    _H2_     4     1.02948    70.34960     5.92182
    5     1 S   CT   _CA1     5     1.50135   127.32359   107.10338
    6     5 S   HC   _HA1     6     1.09573   105.15798    97.45106
    7     5 S   CO3  _C1_     7     1.53763   112.38988   -22.78151
    8     7 S   O2Z  _O11     8     1.26383   115.00416   -43.98396
    9     7 S   O2Z  _O12     9     1.26223   114.93597   134.91238
   10     5 S   CT   _CB1    10     1.53040   107.38785  -144.58222
   11    10 S   HC   HB11    11     1.09848   109.35475   -48.97710
   12    10 S   HC   HB12    12     1.09810   110.47852    67.60593
   13    10 S   CT   _CG1    13     1.53045   112.65897  -169.86663
   14    13 S   HC   HG11    14     1.09563   110.80860   -67.48981
   15    13 S   HC   HG12    15     1.09662   109.66581    51.78672
   16    13 S   C    _CD1    16     1.51815   111.74556   172.34552
   17    16 S   O    _OE1    17     1.22781   123.07477    15.94143
   18    16 S   N    _N2_    18     1.38626   112.00740  -164.17965
   19    18 S   H    _HN2    19     1.01593   119.06701     0.70886
   20    18 S   CT1  _CA2    20     1.46247   123.29601   176.46997
   21    20 S   HC   _HA2    21     1.09744   109.23821     8.83607
   22    20 S   C    _C2_    22     1.53715   109.05031  -106.71987
   23    22 S   O    _O2_    23     1.23094   122.16940  -149.83322
   24    20 S   CT   _CB2    32     1.53485   111.64091   130.77509
   25    24 S   HC   HB21    33     1.09396   109.46831    58.16881
   26    24 S   HC   HB22    34     1.09406   109.52128   176.91193
   27    22 S   N    _N3_    24     1.38288   113.95298    37.68441
   28    27 S   H    _HN3    25     1.01530   119.61785    -3.32408
   29    24 S   S    _SG2    35     1.82981   111.02669   -63.68606
   30    27 S   CT   _CA3    26     1.45280   123.33178   177.21168
   31    30 S   HC   HA31    27     1.09546   107.51074   -64.93863
   32    30 S   HC   HA32    28     1.09554   108.00783    51.53200
   33    29 S   CT   _C16    36     1.91199   102.47146   169.63959
   34    30 S   CO3  _C3_    29     1.52989   114.01154   173.52779
   35    34 S   O2Z  _O31    30     1.26391   116.07439    -0.57198
   36    34 S   O2Z  _O32    31     1.26422   114.42224   179.49410
   37    33 S   CM   _C21    37     1.51537   104.17028   -65.27525
   38    37 S   HC   _H25    38     1.08965   116.66793    88.23564
   39    33 S   CT   _C15    71     1.54349   109.30125    55.39893
   40    39 S   HC   _H19    72     1.09625   111.61067   -59.90994
   41    39 S   HC   _H20    73     1.09730   110.10254  -174.93802
   42    37 S   CMA  _C20    39     1.35058   125.22206   -90.72239
   43    42 S   OM   _O33    40     1.26207   129.25851   179.02884
   44    42 S   CT   _C19    41     1.52955   119.51276    -1.86624
   45    44 S   HC   _H23    42     1.09993   110.21759   124.92787
   46    44 S   HC   _H24    43     1.10104   108.46045  -119.33447
   47    44 S   CT   _C18    44     1.54295   117.04166     1.87148
   48    47 S   HC   _H21    45     1.09630   109.07956    93.32355
   49    47 S   HC   _H22    46     1.09671   107.59260  -153.33277
   50    33 S   CT   _C17    47     1.58577   111.44110   175.72786
   51    50 S   CT   _C9_    48     1.57640   109.27407   -60.77805
   52    51 S   HC   _H3_    49     1.09795   107.91936    62.28765
   53    50 S   CT   _C22    78     1.56494   111.88751   178.30661
   54    53 S   HC   _H26    79     1.09221   113.06863    69.73526
   55    53 S   HC   _H27    80     1.09373   112.89588   -50.78253
   56    53 S   HC   _H28    81     1.09579   110.96621  -170.04472
   57    51 S   CT   _C8_    50     1.54944   114.42760   179.43698
   58    57 S   HC   _H11    51     1.09657   110.36358    64.29396
   59    57 S   HC   _H12    52     1.09448   110.65689   -54.12779
   60    51 S   CT   _C10    66     1.56117   111.95141   -55.94263
   61    60 S   HC   _H4_    67     1.09845   107.77109   -68.82628
   62    57 S   CT   _C7_    53     1.53241   111.93960  -174.46841
   63    62 S   HC   _H9_    54     1.09440   108.89415  -175.57287
   64    62 S   HC   _H10    55     1.09694   109.12597    67.99497
   65    60 S   CT   _C14    68     1.53860   113.28515    49.44114
   66    65 S   HC   _H17    69     1.09706   109.49571  -168.07659
   67    65 S   HC   _H18    70     1.09631   109.76363    76.43575
   68    62 S   CM   _C6_    56     1.49200   111.27821   -51.87975
   69    68 S   CM   _C5_    57     1.34111   129.73482  -135.89450
   70    69 S   CT   _C13    58     1.49885   111.28136  -177.88835
   71    70 S   HC   _H15    59     1.09527   110.37379   104.74235
   72    70 S   HC   _H16    60     1.09441   112.20501  -133.53763
   73    69 S   CT   _C4_    74     1.48794   129.01503    -0.25944
   74    73 S   HC   _H6_    75     1.09458   110.18531   119.45031
   75    73 S   HC   _H7_    76     1.09303   112.61713    -0.92683
   76    73 S   HC   _H8_    77     1.09473   110.19360  -121.03110
   77    70 S   CT   _C12    61     1.52731   103.15179   -14.34155
   78    77 S   HC   _H13    62     1.09537   111.60921   143.96376
   79    77 S   HC   _H14    63     1.09788   109.21598   -97.94241
   80    68 S   CT   _C11    64     1.50402   118.35726    45.80078
   81    80 S   HC   _H5_    65     1.09837   108.42532    75.75052
  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
