* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    161    247     474
    1     0 S   NP   _N1_     1    28.70336    94.77809   -20.80779
    2     1 S   H    _HN1     2     1.02778    88.90943   -69.64538
    3     1 S   H    _H1_     3     1.02960    91.25808    38.71015
    4     1 S   H    _H2_     4     1.02838    30.73145   160.98134
    5     1 S   CT   _CA1     5     1.50248   141.40009   164.55636
    6     5 S   HC   _HA1     6     1.09571   105.08922    57.42739
    7     5 S   CO3  _C1_     7     1.53884   112.50308   -62.40822
    8     7 S   O2Z  _O11     8     1.26425   115.09522   -34.48664
    9     7 S   O2Z  _O12     9     1.26232   115.02564   144.54726
   10     5 S   CT   _CB1    10     1.53146   107.31956   175.33461
   11    10 S   HC   HB11    11     1.09815   109.29470   -47.23244
   12    10 S   HC   HB12    12     1.09829   110.29827    69.28091
   13    10 S   CT   _CG1    13     1.53074   112.97864  -168.39145
   14    13 S   HC   HG11    14     1.09486   110.32462   -63.16566
   15    13 S   HC   HG12    15     1.09633   110.16141    55.88868
   16    13 S   C    _CD1    16     1.51955   112.17467   175.70495
   17    16 S   O    _OE1    17     1.22747   123.04690   -15.34932
   18    16 S   N    _N2_    18     1.38619   111.89986   165.89303
   19    18 S   H    _HN2    19     1.01577   119.00073     0.26393
   20    18 S   CT1  _CA2    20     1.46409   123.50972  -179.30790
   21    20 S   HC   _HA2    21     1.09736   109.34281   -14.29584
   22    20 S   C    _C2_    22     1.53420   108.12772  -129.88630
   23    22 S   O    _O2_    23     1.23007   122.34427  -145.21311
   24    20 S   CT   _CB2    32     1.53521   111.42871   107.94452
   25    24 S   HC   HB21    33     1.09564   109.47952    54.04850
   26    24 S   HC   HB22    34     1.09487   110.79001   172.85614
   27    22 S   N    _N3_    24     1.38544   113.29789    42.12508
   28    27 S   H    _HN3    25     1.01529   118.88273    -0.52934
   29    24 S   S    _SG2    35     1.82692   111.39159   -67.64673
   30    27 S   CT   _CA3    26     1.45446   123.43392   175.11954
   31    30 S   HC   HA31    27     1.09525   109.19813    25.02990
   32    30 S   HC   HA32    28     1.09494   107.12739   142.03271
   33    29 S   CT   _C20    36     1.84015   100.15616   151.89714
   34    33 S   HC   _H6_    37     1.09577   105.10825   -43.00297
   35    30 S   CO3  _C3_    29     1.52930   113.16019   -98.41872
   36    35 S   O2Z  _O31    30     1.26399   115.43108   -43.72602
   37    35 S   O2Z  _O32    31     1.26359   114.96451   137.21602
   38    33 S   CM   _C7_    38     1.54031   111.22714  -159.07440
   39    33 S   CT   _C21    82     1.52877   111.67727    72.39590
   40    39 S   HC   _H25    83     1.09444   112.89601    56.18251
   41    39 S   HC   _H26    84     1.09570   110.95746   -64.53225
   42    39 S   HC   _H27    85     1.09600   110.53878   176.90471
   43    38 S   CMA  _C8_    39     1.37201   125.04496   -63.09486
   44    43 S   OM   _O38    40     1.26959   125.03759    -1.60010
   45    38 S   CT   _C6_    66     1.53246   113.15249   121.68148
   46    45 S   HC   _H10    67     1.09803   109.56193    26.86136
   47    45 S   HC   _H11    68     1.09608   107.42698   138.33740
   48    43 S   OS   _O33    41     1.43055   112.12357   179.01603
   49    48 S   CT   _C9_    42     1.42912   114.81781  -145.43904
   50    49 S   HC   _H4_    43     1.10127   110.45298    31.63156
   51    49 S   CT   _C10    44     1.51751   113.47112   -92.67100
   52    51 S   HC   _H12    45     1.09360   113.00075    76.46482
   53    51 S   HC   _H13    46     1.09687   110.75117   -43.93311
   54    51 S   CT   _C11    47     1.52071   102.64592  -162.97430
   55    54 S   HC   _H14    48     1.09552   110.88860   151.66938
   56    54 S   HC   _H15    49     1.09648   109.39353   -90.77462
   57    54 S   NT   _N4_    50     1.48197   107.45438    25.47521
   58    57 S   CT   _C15    51     1.47936   111.71237   114.94002
   59    58 S   HC   _H17    52     1.09608   109.13213   144.32725
   60    58 S   HC   _H18    53     1.09491   113.25216    24.90376
   61    58 S   CM   _C14    54     1.48629   106.07308   -98.07605
   62    61 S   HC   _H16    55     1.08009   124.07729   171.55973
   63    61 S   CM   _C13    56     1.33672   110.50813   -10.58348
   64    63 S   CT   _C16    57     1.48658   125.39225  -176.56145
   65    64 S   HC   _H19    58     1.09592   109.63615  -107.38964
   66    64 S   HC   _H20    59     1.09620   111.02926    13.15133
   67    49 S   CT   _C12    80     1.53553   113.72142   151.56551
   68    67 S   HC   _H5_    81     1.09734   109.93603   -79.59564
   69    64 S   OS   _O34    60     1.43077   108.32828   133.03912
   70    69 S   CO4  _C17    61     1.36179   115.46413   174.78331
   71    70 S   O    _O35    62     1.22520   125.35914    13.88942
   72    70 S   CT   _C18    63     1.53104   110.13682  -162.50581
   73    72 S   CT   _C5_    64     1.56571   110.93566    52.97139
   74    73 S   HC   _H3_    65     1.09799   108.44177   -64.63179
   75    72 S   CT   _C19    73     1.53841   108.64416   -73.32006
   76    75 S   HC   _H21    74     1.09622   111.04927   -42.09963
   77    75 S   HC   _H22    75     1.09657   110.61710  -159.85111
   78    72 S   OH   _O37    78     1.43202   106.58233   172.71727
   79    78 S   HO   _H24    79     0.97225   108.27520   -56.26462
   80    73 S   CT   _C4_    69     1.53521   110.85946   177.89401
   81    80 S   HC   _H7_    70     1.09476   111.63202   -67.18936
   82    80 S   HC   _H8_    71     1.09024   111.12487   171.99742
   83    80 S   HC   _H9_    72     1.09281   111.64188    53.87028
   84    75 S   OH   _O36    76     1.42046   111.64049    78.63972
   85    84 S   HO   _H23    77     0.97585   107.22737   145.89332
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7   8
   4   3   2   1   6  11   4  13  11   6   7   4   3   3   1   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    73    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    72    73    74    45    46    47    80    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    73    45    46    47    67  
   48    49    45  
   46    47    80    81    82    83    75    78    48    70    72    73    74  
   47    80    72    73    74  
   80    72    73    74  
   49    50    51    52    53    54    57    63    67    68  
   50    51    52    53    54    55    56    57    58    61    63    64    67    68  
   51    52    53    54    57    63    67    68  
   52    53    54    55    56    57    58    63    67    68  
   53    54    55    56    57    67  
   54    55    56    57    67  
   55    56    57    58    59    60    61    63    67    68  
   56    57    58    67  
   57    58    67  
   58    59    60    61    62    63    64    67    68  
   59    60    61    62    63    64    67    68  
   60    61    62    63    67  
   61    62    63    67  
   62    63    64    65    66    69    67    68  
   63    64    67  
   64    65    66    69    70    67    68  
   65    66    69    70    71    72    67    68  
   66    69    70    67  
   69    70    67  
   68    69  
    0  
   70    71    72    73    75    78  
   71    72    73    74    80    75    76    77    84    78    79  
   72    73    75    78  
   73    74    80    81    82    83    75    76    77    84    85    78    79  
   74    80    81    82    83    75    76    77    84    78    79  
   80    81    82    83    75    78  
   76    77    84    85    78    79    80  
   77    84    85    78  
   84    85    78  
   79    80    84  
    0  
   81    82    83  
   82    83  
   83  
    0  
   85  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   58   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.180000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    67   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   382.000  1.448
   57    58   382.000  1.448
   57    67   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   214.000  1.327
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    78   320.000  1.410
   73    74   340.000  1.090
   73    45   268.000  1.529
   73    80   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    84   320.000  1.410
   84    85   553.000  0.945
   78    79   553.000  0.945
   67    68   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    73    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    67    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    67    57    56.20000  109.47000
   49    67    63    70.00000  112.02700
   49    67    68    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    56.20000  109.47000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    51.80000  107.20000
   54    57    67    51.80000  107.20000
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    75.00000  110.70900
   57    67    63    75.00000  110.70900
   57    67    68    35.00000  109.50000
   58    61    62    35.00000  117.00000
   58    61    63    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    69    85.00000  110.90400
   63    67    68    35.00000  109.50000
   64    69    70    83.00000  116.90000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   69    70    71    83.00000  123.40000
   69    70    72    81.00000  111.40000
   70    72    73    63.00000  111.10000
   70    72    75    63.00000  111.10000
   70    72    78    90.00000  109.61100
   72    70    71    80.00000  120.40000
   72    73    74    37.50000  110.70000
   72    73    45    58.35000  112.70000
   72    73    80    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    84    50.00000  109.50000
   72    78    79    55.00000  108.50000
   73    45    46    37.50000  110.70000
   73    45    47    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    73    74    37.50000  110.70000
   47    45    46    33.00000  107.80000
   80    73    74    37.50000  110.70000
   80    73    45    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    72    73    58.35000  112.70000
   75    84    85    55.00000  108.50000
   77    75    76    33.00000  107.80000
   84    75    76    35.00000  109.50000
   84    75    77    35.00000  109.50000
   78    72    73    50.00000  109.50000
   78    72    75    50.00000  109.50000
   67    49    50    37.50000  110.70000
   67    49    51    58.35000  112.70000
   67    57    58    51.80000  107.20000
   67    63    64    65.00000  117.92700
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    73   0.46850  1.0 1.0
   33    38    45    73   0.08550 -1.0 2.0
   33    38    45    73   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    73   0.09850  1.0 1.0
   43    38    45    73   0.15250 -1.0 2.0
   43    38    45    73  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    67  -0.46850  1.0 1.0
   43    48    49    67   0.09300 -1.0 2.0
   43    48    49    67  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    67    57   1.74050  1.0 1.0
   48    49    67    63   0.61850  1.0 1.0
   48    49    67    63  -0.22750 -1.0 2.0
   48    49    67    63   0.15300  1.0 3.0
   48    49    67    68   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.53400  1.0 1.0
   49    51   -54    57  -0.09950 -1.0 2.0
   49    51   -54    57   0.05700  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    67    57   0.15000  1.0 3.0
   50    49    67    63   0.15000  1.0 3.0
   50    49    67    68   0.15000  1.0 3.0
   51    49   -67    57   1.53400  1.0 1.0
   51    49   -67    57  -0.09950 -1.0 2.0
   51    49   -67    57   0.05700  1.0 3.0
   51    49    67    63   0.34400  1.0 1.0
   51    49    67    63   0.09450 -1.0 2.0
   51    49    67    63   0.11100  1.0 3.0
   51    49    67    68   0.15000  1.0 3.0
   51    54    57    58   0.23450  1.0 1.0
   51    54    57    58   0.02050 -1.0 2.0
   51    54    57    58   0.25250  1.0 3.0
   51    54   -57    67   0.23450  1.0 1.0
   51    54   -57    67   0.02050 -1.0 2.0
   51    54   -57    67   0.25250  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   54    57    58    59   0.28000  1.0 3.0
   54    57    58    60   0.28000  1.0 3.0
   54    57    58    61  -0.60800  1.0 1.0
   54    57    58    61   1.10050 -1.0 2.0
   54    57    58    61   0.47000  1.0 3.0
   54    57   -67    49   0.23450  1.0 1.0
   54    57   -67    49   0.02050 -1.0 2.0
   54    57   -67    49   0.25250  1.0 3.0
   54    57    67    63  -0.60800  1.0 1.0
   54    57    67    63   1.10050 -1.0 2.0
   54    57    67    63   0.47000  1.0 3.0
   54    57    67    68   0.28000  1.0 3.0
   55    54    57    58   0.28000  1.0 3.0
   55    54    57    67   0.28000  1.0 3.0
   56    54    57    58   0.28000  1.0 3.0
   56    54    57    67   0.28000  1.0 3.0
   57    58    61    62   0.00000  1.0 1.0
   57    58   -61    63   0.90200  1.0 1.0
   57    58   -61    63   0.57900 -1.0 2.0
   57    58   -61    63  -0.62100  1.0 3.0
   58    57    67    49   0.23450  1.0 1.0
   58    57    67    49   0.02050 -1.0 2.0
   58    57    67    49   0.25250  1.0 3.0
   58    57   -67    63  -0.60800  1.0 1.0
   58    57   -67    63   1.10050 -1.0 2.0
   58    57   -67    63   0.47000  1.0 3.0
   58    57    67    68   0.28000  1.0 3.0
   58    61    63    64   7.00000 -1.0 2.0
   58    61   -63    67   7.00000 -1.0 2.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.33100  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    69   0.39000  1.0 1.0
   61    63    64    69  -0.05800 -1.0 2.0
   61    63    64    69  -0.55150  1.0 3.0
   61    63    67    49   0.09850  1.0 1.0
   61    63    67    49   0.15250 -1.0 2.0
   61    63    67    49  -0.50650  1.0 3.0
   61    63   -67    57   0.90200  1.0 1.0
   61    63   -67    57   0.57900 -1.0 2.0
   61    63   -67    57  -0.62100  1.0 3.0
   61    63    67    68   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    67   7.00000 -1.0 2.0
   63    64    69    70  -0.82050  1.0 1.0
   63    64    69    70   0.00600 -1.0 2.0
   63    64    69    70   0.04400  1.0 3.0
   64    63    67    49   0.46850  1.0 1.0
   64    63    67    49   0.08550 -1.0 2.0
   64    63    67    49   0.09800  1.0 3.0
   64    63    67    57   0.52100  1.0 1.0
   64    63    67    57  -0.20350 -1.0 2.0
   64    63    67    57   0.29750  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    69    70    71   3.00000 -1.0 2.0
   64    69    70    72   1.63150  1.0 1.0
   64    69    70    72   2.92000 -1.0 2.0
   65    64    69    70   0.08050  1.0 3.0
   66    64    69    70   0.08050  1.0 3.0
   69    70    72    73   0.36750  1.0 3.0
   69    70    72    75   0.36750  1.0 3.0
   69    70    72    78   0.30750  1.0 1.0
   69    70    72    78   1.13850 -1.0 2.0
   69    70    72    78   0.38850  1.0 3.0
   70    72    73    74  -0.11250  1.0 3.0
   70    72    73    45  -0.95700  1.0 1.0
   70    72    73    45  -0.18200 -1.0 2.0
   70    72    73    45   0.29450  1.0 3.0
   70    72    73    80  -0.95700  1.0 1.0
   70    72    73    80  -0.18200 -1.0 2.0
   70    72    73    80   0.29450  1.0 3.0
   70    72    75    76  -0.11250  1.0 3.0
   70    72    75    77  -0.11250  1.0 3.0
   70    72    75    84  -0.09450  1.0 1.0
   70    72    75    84  -1.12950 -1.0 2.0
   70    72    75    84   0.54000  1.0 3.0
   70    72    78    79   0.91850  1.0 1.0
   70    72    78    79   0.57950  1.0 3.0
   71    70    72    73   0.30150 -1.0 2.0
   71    70    72    75   0.30150 -1.0 2.0
   71    70    72    78   0.30150 -1.0 2.0
   72    73    45    38   0.34400  1.0 1.0
   72    73    45    38   0.09450 -1.0 2.0
   72    73    45    38   0.11100  1.0 3.0
   72    73    45    46   0.15000  1.0 3.0
   72    73    45    47   0.15000  1.0 3.0
   72    73    80    81   0.15000  1.0 3.0
   72    73    80    82   0.15000  1.0 3.0
   72    73    80    83   0.15000  1.0 3.0
   72    75    84    85  -0.11600  1.0 1.0
   72    75    84    85  -0.09450 -1.0 2.0
   72    75    84    85   0.21250  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    84   0.86500  1.0 1.0
   73    72    75    84  -0.17500 -1.0 2.0
   73    72    75    84   0.20800  1.0 3.0
   73    72    78    79  -0.11600  1.0 1.0
   73    72    78    79  -0.09450 -1.0 2.0
   73    72    78    79   0.21250  1.0 3.0
   74    73    45    38   0.15000  1.0 3.0
   74    73    45    46   0.15000  1.0 3.0
   74    73    45    47   0.15000  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    83   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    73    80    81   0.15000  1.0 3.0
   45    73    80    82   0.15000  1.0 3.0
   45    73    80    83   0.15000  1.0 3.0
   80    73    45    38   0.34400  1.0 1.0
   80    73    45    38   0.09450 -1.0 2.0
   80    73    45    38   0.11100  1.0 3.0
   80    73    45    46   0.15000  1.0 3.0
   80    73    45    47   0.15000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    45   0.56750  1.0 1.0
   75    72    73    45  -0.07550 -1.0 2.0
   75    72    73    45   0.20000  1.0 3.0
   75    72    73    80   0.56750  1.0 1.0
   75    72    73    80  -0.07550 -1.0 2.0
   75    72    73    80   0.20000  1.0 3.0
   75    72    78    79  -0.11600  1.0 1.0
   75    72    78    79  -0.09450 -1.0 2.0
   75    72    78    79   0.21250  1.0 3.0
   76    75    84    85   0.19450  1.0 3.0
   77    75    84    85   0.19450  1.0 3.0
   78    72    73    74   0.23400  1.0 3.0
   78    72    73    45   0.86500  1.0 1.0
   78    72    73    45  -0.17500 -1.0 2.0
   78    72    73    45   0.20800  1.0 3.0
   78    72    73    80   0.86500  1.0 1.0
   78    72    73    80  -0.17500 -1.0 2.0
   78    72    73    80   0.20800  1.0 3.0
   78    72    75    76   0.23400  1.0 3.0
   78    72    75    77   0.23400  1.0 3.0
   78    72    75    84   3.75450  1.0 1.0
   67    49    51    52   0.15000  1.0 3.0
   67    49    51    53   0.15000  1.0 3.0
   67    49   -51    54   0.56750  1.0 1.0
   67    49   -51    54  -0.07550 -1.0 2.0
   67    49   -51    54   0.20000  1.0 3.0
   67    57    58    59   0.28000  1.0 3.0
   67    57    58    60   0.28000  1.0 3.0
   67    57   -58    61  -0.60800  1.0 1.0
   67    57   -58    61   1.10050 -1.0 2.0
   67    57   -58    61   0.47000  1.0 3.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    69   0.09700  1.0 1.0
   67    63    64    69   0.15600 -1.0 2.0
   67    63    64    69  -0.50800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   58    62    61    63   1.10000 -1.0 2.0
   64    67    63    61   1.10000 -1.0 2.0
   69    72    70    71  10.50000 -1.0 2.0
END
