* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    162    250     471
    1     0 S   NP   _N1_     1    28.66225    96.02046   -22.43879
    2     1 S   H    _HN1     2     1.02951    76.62426    14.27858
    3     1 S   H    _H1_     3     1.02830    37.75294   157.38812
    4     1 S   H    _H2_     4     1.02785    97.44143   -92.90648
    5     1 S   CT   _CA1     5     1.50104   144.20548   120.72136
    6     5 S   HC   _HA1     6     1.09572   105.20977    82.24746
    7     5 S   CO3  _C1_     7     1.53804   112.48093   -38.00618
    8     7 S   O2Z  _O11     8     1.26369   115.00978   -42.26474
    9     7 S   O2Z  _O12     9     1.26243   114.95584   136.92568
   10     5 S   CT   _CB1    10     1.53087   107.43001  -159.74891
   11    10 S   HC   HB11    11     1.09828   109.41331   -49.75836
   12    10 S   HC   HB12    12     1.09814   110.43045    66.87209
   13    10 S   CT   _CG1    13     1.52961   112.56547  -170.75125
   14    13 S   HC   HG11    14     1.09586   110.56802   -64.68516
   15    13 S   HC   HG12    15     1.09668   109.83712    54.51640
   16    13 S   C    _CD1    16     1.51788   112.33782   174.99320
   17    16 S   O    _OE1    17     1.22713   123.33109     4.23790
   18    16 S   N    _N2_    18     1.38594   111.52648  -175.80820
   19    18 S   H    _HN2    19     1.01575   118.98001     1.98603
   20    18 S   CT1  _CA2    20     1.46247   123.61146   178.84614
   21    20 S   HC   _HA2    21     1.09735   109.38205     2.00281
   22    20 S   C    _C2_    22     1.53578   108.69711  -113.47097
   23    22 S   O    _O2_    23     1.23052   122.35607  -149.79626
   24    20 S   CT   _CB2    32     1.53424   111.18424   124.06886
   25    24 S   HC   HB21    33     1.09413   109.36851    55.76675
   26    24 S   HC   HB22    34     1.09457   109.98916   174.31900
   27    22 S   N    _N3_    24     1.38360   113.72238    37.79889
   28    27 S   H    _HN3    25     1.01578   119.53120    -3.45825
   29    24 S   S    _SG2    35     1.83040   110.90161   -66.91553
   30    27 S   CT   _CA3    26     1.45272   123.20634   177.08402
   31    30 S   HC   HA31    27     1.09549   107.51919   -64.48870
   32    30 S   HC   HA32    28     1.09557   107.97774    51.94792
   33    29 S   CT   _C16    36     1.88098   102.09577   146.86873
   34    30 S   CO3  _C3_    29     1.52949   114.08808   173.95091
   35    34 S   O2Z  _O31    30     1.26375   116.07759    -0.26467
   36    34 S   O2Z  _O32    31     1.26430   114.40959   179.78878
   37    33 S   CT   _C15    37     1.54509   105.99658  -164.12479
   38    37 S   HC   _H8_    38     1.09684   110.29224   166.30129
   39    37 S   HC   _H9_    39     1.09775   111.80598    49.68001
   40    33 S   CT   _C17    77     1.59320   116.18550    76.59755
   41    40 S   OM   _O38    78     1.32899   110.27511   -55.83745
   42    40 S   HC   _H3_    79     1.10246   103.45604   179.88297
   43    33 S   OS   _O39    84     1.45286   111.74541   -44.90981
   44    37 S   CO4  _C14    40     1.51504   112.79129   -72.65826
   45    44 S   O    _O35    41     1.23319   120.64916   123.60231
   46    43 S   CT   _C20    85     1.42007   117.61498   -68.76544
   47    46 S   HC   _H11    86     1.09377   107.83695   168.94661
   48    46 S   HC   _H12    87     1.09219   112.25221    50.02759
   49    46 S   HC   _H13    88     1.09333   110.65412   -73.62772
   50    44 S   CT   _C13    42     1.54618   116.82112   -58.56412
   51    50 S   CMA  _C12    43     1.56024   113.23765   -70.89105
   52    51 S   OM   _O34    44     1.26651   111.51910   -34.56923
   53    50 S   OH   _O40    82     1.43724   106.71034   171.81813
   54    53 S   HO   _H14    83     0.97364   106.40490    66.97792
   55    51 S   CM   _C10    45     1.36192   118.12687   147.21374
   56    55 S   CM   _C9_    46     1.44986   122.46659     5.74539
   57    55 S   CO4  _C11    56     1.51407   120.27177  -175.56204
   58    57 S   O    _O33    57     1.22540   122.18962    22.69614
   59    56 S   CM   _C8_    47     1.33912   122.57997   170.36157
   60    59 S   HC   _H7_    48     1.08625   121.46541   179.64282
   61    56 S   CO4  _C19    74     1.49178   119.98370    -8.75490
   62    61 S   O    _O36    75     1.23076   121.46315   159.99005
   63    59 S   CA   _C7_    49     1.46525   121.06413    -2.88643
   64    50 S   CT   _C18    76     1.55759   105.91735    55.95748
   65    63 S   CA   _C21    50     1.40425   118.16554  -174.57928
   66    65 S   HA   _H15    51     1.08695   118.49613    -1.11943
   67    64 S   OH   _O37    80     1.43299   108.77998    69.79021
   68    67 S   HO   _H10    81     0.97428   105.94821  -171.06449
   69    65 S   CA   _C22    52     1.39338   120.83211   179.22444
   70    69 S   CA   _C23    53     1.40486   118.55930    -1.45978
   71    69 S   OS   _O43    69     1.37118   124.79759   178.51602
   72    70 S   CA   _C5_    54     1.41426   122.23823     0.71244
   73    70 S   CO4  _C24    62     1.47294   117.80698   179.11929
   74    73 S   O    _O41    63     1.21840   123.76576  -102.96706
   75    71 S   CT   _C26    70     1.42232   117.51455    -0.17804
   76    75 S   HC   _H19    71     1.09428   107.72799  -179.69739
   77    75 S   HC   _H20    72     1.09492   111.11874    62.60891
   78    75 S   HC   _H21    73     1.09494   111.15320   -61.97725
   79    63 S   CA   _C6_    55     1.40783   121.52940     4.84945
   80    72 S   CT   _C4_    58     1.50890   120.13048  -178.58349
   81    80 S   HC   _H4_    59     1.09429   110.21469  -102.97436
   82    80 S   HC   _H5_    60     1.09379   112.83811    17.64173
   83    80 S   HC   _H6_    61     1.09498   110.66745   134.94874
   84    73 S   OS   _O42    64     1.35598   107.61856    78.26742
   85    84 S   CT   _C25    65     1.42983   114.81266   179.48414
   86    85 S   HC   _H16    66     1.09327   108.13035   179.53396
   87    85 S   HC   _H17    67     1.09431   110.31479    60.81309
   88    85 S   HC   _H18    68     1.09429   110.27277   -61.75577
  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  13   6   5  14   6   5   6  10   4   3   2   1
   1  12  12   5   5   1  11  11   9   3  10   4   5   2   8   2
   8   4   1   1  12  12   6   8   8   2   3   2   1   1   4   3
   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    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    64    40    41    42    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    61    64    40    41    42    67    43    46    47    48    49  
   35    36  
   36  
    0  
   38    39    44    45    50    51    64    40    41    42    53    43    46  
   39    44    45    50    40    43  
   44    45    50    40    43  
   41    42    67    68    53    43    46    44    50    51    56    61    62    64  
   42    67    43    50    61    64  
   67    43    50    61    64  
   46    47    48    49    44    64  
   45    50    51    52    55    61    64    67    53    54  
   50    51    64    53  
   47    48    49  
   48    49  
   49  
    0  
   51    52    55    56    57    61    62    64    67    68    53    54  
   52    55    56    59    79    57    58    61    64    67    53    54  
   55    56    57    64    53  
   54    55    61    64    67  
   64  
   56    59    60    63    72    79    57    58    61    62    64  
   59    60    63    65    79    57    58    61    62    64    67  
   58    80    61    59    63    65    70    72    79  
   63    72    79  
   60    63    65    66    69    72    79    61    62    64  
   63    65    79    61  
   62    64    67    68    63  
   64    67  
   65    66    69    70    72    79    80    71  
   67    68  
   66    69    70    72    79    73    71    75  
   69    70    79    71  
   68  
    0  
   70    72    79    80    73    74    84    71    75    76    77    78  
   72    79    80    81    82    83    73    74    84    85    71    75  
   75    76    77    78    72    73  
   79    80    81    82    83    73    74    84  
   74    84    85    86    87    88    79    80  
   84    85  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87    88  
   87    88  
   88  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.348900   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   52   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   85   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    40   268.000  1.529
   33    43   320.000  1.410
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   317.000  1.522
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   270.000  1.512
   50    64   268.000  1.529
   50    53   320.000  1.410
   51    52   745.000  1.250
   51    55   465.000  1.376
   55    56   380.000  1.444
   55    57   320.000  1.462
   56    59   549.000  1.340
   56    61   320.000  1.462
   59    60   340.000  1.080
   59    63   320.000  1.460
   63    65   469.000  1.400
   63    79   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    72   469.000  1.400
   70    73   310.000  1.470
   72    79   469.000  1.400
   72    80   317.000  1.510
   79    57   310.000  1.470
   57    58   570.000  1.229
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   73    74   570.000  1.229
   73    84   214.000  1.327
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   71    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   61    62   570.000  1.229
   61    64   317.000  1.522
   64    40   268.000  1.529
   64    67   320.000  1.410
   40    41   570.000  1.307
   40    42   340.000  1.090
   67    68   553.000  0.945
   53    54   553.000  0.945
   43    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    63.00000  111.10000
   33    40    64    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   33    43    46    60.00000  109.50000
   37    44    45    80.00000  120.40000
   37    44    50    70.00000  116.00000
   39    37    38    33.00000  107.80000
   44    37    38    35.00000  109.50000
   44    37    39    35.00000  109.50000
   44    50    51    70.00000  109.06800
   44    50    64    63.00000  111.10000
   44    50    53    90.00000  109.61100
   50    44    45    80.00000  120.40000
   50    51    52    85.00000  112.85300
   50    51    55    65.00000  122.18000
   50    64    61    63.00000  111.10000
   50    64    40    58.35000  112.70000
   50    64    67    50.00000  109.50000
   50    53    54    55.00000  108.50000
   51    55    56    70.00000  117.34000
   51    55    57    60.00000  125.92000
   55    51    52    65.00000  137.10300
   55    56    59    70.00000  123.01800
   55    56    61    65.00000  118.96000
   55    57    79    65.00000  117.02400
   55    57    58    80.00000  123.72100
   56    59    60    35.00000  120.00000
   56    59    63    60.00000  123.20500
   56    61    62    80.00000  123.72100
   56    61    64    65.00000  118.62400
   59    63    65    60.00000  120.93500
   59    63    79    60.00000  120.93500
   63    59    60    40.00000  117.26300
   63    65    66    35.00000  120.00000
   63    65    69    63.00000  120.00000
   63    79    72    63.00000  120.00000
   63    79    57    60.00000  119.52600
   65    69    70    63.00000  120.00000
   65    69    71    70.00000  120.00000
   69    65    66    35.00000  120.00000
   69    70    72    63.00000  120.00000
   69    70    73    60.00000  119.52600
   69    71    75    75.00000  111.00000
   70    72    79    63.00000  120.00000
   70    72    80    70.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    84    81.00000  111.40000
   72    79    57    60.00000  119.52600
   72    80    81    35.00000  109.50000
   72    80    82    35.00000  109.50000
   72    80    83    35.00000  109.50000
   79    63    65    63.00000  120.00000
   79    57    58    75.00000  123.78400
   57    55    56    65.00000  118.96000
   80    72    79    70.00000  120.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   73    70    72    60.00000  119.52600
   73    84    85    83.00000  116.90000
   84    73    74    83.00000  123.40000
   84    85    86    35.00000  109.50000
   84    85    87    35.00000  109.50000
   84    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   71    69    70    70.00000  120.00000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   61    56    59    65.00000  118.96000
   61    64    40    63.00000  111.10000
   61    64    67    90.00000  109.61100
   64    50    51    70.00000  112.02700
   64    61    62    80.00000  120.40000
   64    40    41    50.00000  109.50000
   64    40    42    37.50000  110.70000
   64    67    68    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    45.00000  125.66300
   67    64    40    50.00000  109.50000
   53    50    51    90.00000  110.39200
   53    50    64    50.00000  109.50000
   43    33    37    50.00000  109.50000
   43    33    40    50.00000  109.50000
   43    46    47    35.00000  109.50000
   43    46    48    35.00000  109.50000
   43    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    40    64   0.44750  1.0 1.0
   29    33    40    64  -0.17800 -1.0 2.0
   29    33    40    64   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    46   0.14700  1.0 1.0
   29    33    43    46  -1.16150 -1.0 2.0
   29    33    43    46   0.48700  1.0 3.0
   33    37    44    45   0.30150 -1.0 2.0
   33    37    44    50   0.60050  1.0 1.0
   33    37    44    50   0.05600 -1.0 2.0
   33    37    44    50   0.26150  1.0 3.0
   33    43    46    47   0.37050  1.0 3.0
   33    43    46    48   0.37050  1.0 3.0
   33    43    46    49   0.37050  1.0 3.0
   37    33    40    64   0.56750  1.0 1.0
   37    33    40    64  -0.07550 -1.0 2.0
   37    33    40    64   0.20000  1.0 3.0
   37    33    40    41   0.62750  1.0 1.0
   37    33    40    41  -0.30950 -1.0 2.0
   37    33    40    41   0.27300  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    46   0.06250  1.0 1.0
   37    33    43    46  -0.01100 -1.0 2.0
   37    33    43    46   0.28050  1.0 3.0
   37    44    50    51   0.65300  1.0 1.0
   37    44    50    51  -0.03850 -1.0 2.0
   37    44    50    51   0.33900  1.0 3.0
   37    44   -50    64   0.60050  1.0 1.0
   37    44   -50    64   0.05600 -1.0 2.0
   37    44   -50    64   0.26150  1.0 3.0
   37    44    50    53   0.55300  1.0 1.0
   37    44    50    53   1.25850 -1.0 2.0
   37    44    50    53  -0.23600  1.0 3.0
   38    37    44    45   0.00000  1.0 1.0
   38    37    44    50   0.00000  1.0 1.0
   39    37    44    45   0.00000  1.0 1.0
   39    37    44    50   0.00000  1.0 1.0
   44    50    51    52   0.09700  1.0 1.0
   44    50    51    52   0.15600 -1.0 2.0
   44    50    51    52  -0.50800  1.0 3.0
   44    50    51    55  -0.51250  1.0 1.0
   44    50    51    55  -0.88800 -1.0 2.0
   44    50    51    55   0.08850  1.0 3.0
   44    50    64    61   0.11950  1.0 1.0
   44    50    64    61   0.20300 -1.0 2.0
   44    50    64    61  -0.70800  1.0 3.0
   44    50    64    40  -0.95700  1.0 1.0
   44    50    64    40  -0.18200 -1.0 2.0
   44    50    64    40   0.29450  1.0 3.0
   44    50    64    67  -0.09450  1.0 1.0
   44    50    64    67  -1.12950 -1.0 2.0
   44    50    64    67   0.54000  1.0 3.0
   44    50    53    54   0.91850  1.0 1.0
   44    50    53    54   0.57950  1.0 3.0
   45    44    50    51   0.30150 -1.0 2.0
   45    44    50    64   0.30150 -1.0 2.0
   45    44    50    53   0.30150 -1.0 2.0
   50    51    55    56   7.00000 -1.0 2.0
   50    51    55    57   7.00000 -1.0 2.0
   50    64   -40    33   0.56750  1.0 1.0
   50    64   -40    33  -0.07550 -1.0 2.0
   50    64   -40    33   0.20000  1.0 3.0
   50    64    40    41   0.62750  1.0 1.0
   50    64    40    41  -0.30950 -1.0 2.0
   50    64    40    41   0.27300  1.0 3.0
   50    64    40    42   0.15000  1.0 3.0
   50    64    67    68  -0.11600  1.0 1.0
   50    64    67    68  -0.09450 -1.0 2.0
   50    64    67    68   0.21250  1.0 3.0
   51    50    64    61  -0.98800  1.0 1.0
   51    50    64    61   0.48800 -1.0 2.0
   51    50    64    61   0.76800  1.0 3.0
   51    50    64    40   0.34400  1.0 1.0
   51    50    64    40   0.09450 -1.0 2.0
   51    50    64    40   0.11100  1.0 3.0
   51    50    64    67   1.05650  1.0 1.0
   51    50    64    67   0.15600 -1.0 2.0
   51    50    64    67   0.53150  1.0 3.0
   51    50    53    54  -0.07800  1.0 1.0
   51    50    53    54  -0.21500 -1.0 2.0
   51    50    53    54  -0.03150  1.0 3.0
   51    55    56    59   0.28850  1.0 1.0
   51    55    56    59   2.61350 -1.0 2.0
   51    55    56    59   0.78400  1.0 3.0
   51    55   -56    61  -0.18600  1.0 3.0
   51    55    57    79  -1.65800  1.0 1.0
   51    55    57    79   0.77650 -1.0 2.0
   51    55    57    58   1.00000 -1.0 2.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   55    56    59    60   7.00000 -1.0 2.0
   55    56    59    63   7.00000 -1.0 2.0
   55    56    61    62   1.00000 -1.0 2.0
   55    56    61    64  -0.33500  1.0 1.0
   55    56    61    64   1.06600 -1.0 2.0
   55    56    61    64  -0.14000  1.0 3.0
   56    55    57    79  -1.65800  1.0 1.0
   56    55    57    79   0.77650 -1.0 2.0
   56    55    57    58   1.00000 -1.0 2.0
   56    59    63    65   0.15800  1.0 1.0
   56    59    63    65   1.85350 -1.0 2.0
   56    59    63    65  -0.48700  1.0 3.0
   56    59   -63    79   0.15800  1.0 1.0
   56    59   -63    79   1.85350 -1.0 2.0
   56    59   -63    79  -0.48700  1.0 3.0
   56    61   -64    50   0.65300  1.0 1.0
   56    61   -64    50  -0.03850 -1.0 2.0
   56    61   -64    50   0.33900  1.0 3.0
   56    61    64    40   0.65300  1.0 1.0
   56    61    64    40  -0.03850 -1.0 2.0
   56    61    64    40   0.33900  1.0 3.0
   56    61    64    67   0.65300  1.0 1.0
   56    61    64    67  -0.03850 -1.0 2.0
   56    61    64    67   0.33900  1.0 3.0
   59    56    61    62   1.00000 -1.0 2.0
   59    56    61    64  -0.33500  1.0 1.0
   59    56    61    64   1.06600 -1.0 2.0
   59    56    61    64  -0.14000  1.0 3.0
   59    63    65    66   3.62500 -1.0 2.0
   59    63    65    69   3.62500 -1.0 2.0
   59    63    79    72   3.62500 -1.0 2.0
   59    63    79    57   3.62500 -1.0 2.0
   60    59    63    65   0.56550  1.0 3.0
   60    59    63    79   0.56550  1.0 3.0
   63    65    69    70   3.62500 -1.0 2.0
   63    65    69    71   3.62500 -1.0 2.0
   63    79   -57    55  -0.11500  1.0 1.0
   63    79   -57    55   1.10450 -1.0 2.0
   63    79   -57    55  -0.48050  1.0 3.0
   63    79    57    58   1.05000 -1.0 2.0
   65    63    79    72   3.62500 -1.0 2.0
   65    63    79    57   3.62500 -1.0 2.0
   65    69   -70    72   3.62500 -1.0 2.0
   65    69    70    73   3.62500 -1.0 2.0
   65    69    71    75   1.63200 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   66    65    69    71   3.62500 -1.0 2.0
   69    70    72    79   3.62500 -1.0 2.0
   69    70    72    80   3.62500 -1.0 2.0
   69    70    73    74   1.05000 -1.0 2.0
   69    70    73    84   0.98750 -1.0 2.0
   69    71    75    76   0.08050  1.0 3.0
   69    71    75    77   0.08050  1.0 3.0
   69    71    75    78   0.08050  1.0 3.0
   70    69    71    75   1.63200 -1.0 2.0
   70    72   -79    63   3.62500 -1.0 2.0
   70    72    79    57   3.62500 -1.0 2.0
   70    72    80    81   0.00000  1.0 1.0
   70    72    80    82   0.00000  1.0 1.0
   70    72    80    83   0.00000  1.0 1.0
   70    73    84    85   0.59950  1.0 1.0
   70    73    84    85   3.24850 -1.0 2.0
   72    70    73    74   1.05000 -1.0 2.0
   72    70    73    84   0.98750 -1.0 2.0
   72    79    57    55  -0.11500  1.0 1.0
   72    79    57    55   1.10450 -1.0 2.0
   72    79    57    55  -0.48050  1.0 3.0
   72    79    57    58   1.05000 -1.0 2.0
   79    63    65    66   3.62500 -1.0 2.0
   79    63   -65    69   3.62500 -1.0 2.0
   79    72    80    81   0.00000  1.0 1.0
   79    72    80    82   0.00000  1.0 1.0
   79    72    80    83   0.00000  1.0 1.0
   57    55   -56    59  -0.18600  1.0 3.0
   57    55    56    61   1.08500 -1.0 2.0
   80    72    79    63   3.62500 -1.0 2.0
   80    72    79    57   3.62500 -1.0 2.0
   73    70    72    79   3.62500 -1.0 2.0
   73    70    72    80   3.62500 -1.0 2.0
   73    84    85    86   0.08050  1.0 3.0
   73    84    85    87   0.08050  1.0 3.0
   73    84    85    88   0.08050  1.0 3.0
   74    73    84    85   3.00000 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    69    70    73   3.62500 -1.0 2.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    63   7.00000 -1.0 2.0
   61    64    40    33  -0.95700  1.0 1.0
   61    64    40    33  -0.18200 -1.0 2.0
   61    64    40    33   0.29450  1.0 3.0
   61    64    40    41  -0.09450  1.0 1.0
   61    64    40    41  -1.12950 -1.0 2.0
   61    64    40    41   0.54000  1.0 3.0
   61    64    40    42  -0.11250  1.0 3.0
   61    64    67    68   0.91850  1.0 1.0
   61    64    67    68   0.57950  1.0 3.0
   62    61    64    50   0.30150 -1.0 2.0
   62    61    64    40   0.30150 -1.0 2.0
   62    61    64    67   0.30150 -1.0 2.0
   64    50    51    52   0.09700  1.0 1.0
   64    50    51    52   0.15600 -1.0 2.0
   64    50    51    52  -0.50800  1.0 3.0
   64    50   -51    55   0.09850  1.0 1.0
   64    50   -51    55   0.15250 -1.0 2.0
   64    50   -51    55  -0.50650  1.0 3.0
   64    50    53    54  -0.11600  1.0 1.0
   64    50    53    54  -0.09450 -1.0 2.0
   64    50    53    54   0.21250  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    44  -0.95700  1.0 1.0
   40    33   -37    44  -0.18200 -1.0 2.0
   40    33   -37    44   0.29450  1.0 3.0
   40    33    43    46   0.06250  1.0 1.0
   40    33    43    46  -0.01100 -1.0 2.0
   40    33    43    46   0.28050  1.0 3.0
   40    64    67    68  -0.11600  1.0 1.0
   40    64    67    68  -0.09450 -1.0 2.0
   40    64    67    68   0.21250  1.0 3.0
   67    64    40    33   0.86500  1.0 1.0
   67    64    40    33  -0.17500 -1.0 2.0
   67    64    40    33   0.20800  1.0 3.0
   67    64    40    41   3.69350  1.0 1.0
   67    64    40    41  -1.82950 -1.0 2.0
   67    64    40    42   0.23400  1.0 3.0
   53    50    51    52   0.09700  1.0 1.0
   53    50    51    52   0.15600 -1.0 2.0
   53    50    51    52  -0.50800  1.0 3.0
   53    50    51    55   0.67800  1.0 1.0
   53    50    51    55   0.47050 -1.0 2.0
   53    50    51    55  -0.62500  1.0 3.0
   53    50    64    61  -0.09450  1.0 1.0
   53    50    64    61  -1.12950 -1.0 2.0
   53    50    64    61   0.54000  1.0 3.0
   53    50    64    40   0.86500  1.0 1.0
   53    50    64    40  -0.17500 -1.0 2.0
   53    50    64    40   0.20800  1.0 3.0
   53    50    64    67   3.75450  1.0 1.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    44  -0.09450  1.0 1.0
   43    33    37    44  -1.12950 -1.0 2.0
   43    33    37    44   0.54000  1.0 3.0
   43    33    40    64   0.62750  1.0 1.0
   43    33    40    64  -0.30950 -1.0 2.0
   43    33    40    64   0.27300  1.0 3.0
   43    33    40    41   1.11900  1.0 1.0
   43    33    40    41  -1.16350 -1.0 2.0
   43    33    40    41  -0.34150  1.0 3.0
   43    33    40    42   0.23400  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
   37    50    44    45  10.50000 -1.0 2.0
   50    52    51    55   1.10000 -1.0 2.0
   56    57    55    51   1.10000 -1.0 2.0
   55    61    56    59   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   65    79    63    59   4.00000 -1.0 2.0
   69    66    65    63   1.10000 -1.0 2.0
   70    71    69    65   4.00000 -1.0 2.0
   72    73    70    69   4.00000 -1.0 2.0
   79    80    72    70   4.00000 -1.0 2.0
   72    57    79    63   4.00000 -1.0 2.0
   55    79    57    58  10.50000 -1.0 2.0
   70    84    73    74  10.50000 -1.0 2.0
   56    64    61    62  10.50000 -1.0 2.0
END
