* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    249     470
    1     0 S   NP   _N1_     1    28.58317    94.60941   -22.35614
    2     1 S   H    _HN1     2     1.02781    96.09329   -69.08573
    3     1 S   H    _H1_     3     1.02963    86.11380    38.93484
    4     1 S   H    _H2_     4     1.02839    29.44640   174.88461
    5     1 S   CT   _CA1     5     1.50101   139.15451   156.08518
    6     5 S   HC   _HA1     6     1.09576   105.27586    68.95689
    7     5 S   CO3  _C1_     7     1.53809   112.29223   -51.32686
    8     7 S   O2Z  _O11     8     1.26360   115.01941   -46.64819
    9     7 S   O2Z  _O12     9     1.26238   114.90046   132.57024
   10     5 S   CT   _CB1    10     1.53091   107.43971  -173.14113
   11    10 S   HC   HB11    11     1.09823   109.42131   -50.99426
   12    10 S   HC   HB12    12     1.09826   110.38593    65.56218
   13    10 S   CT   _CG1    13     1.53010   112.63285  -172.11400
   14    13 S   HC   HG11    14     1.09603   110.36832   -61.30843
   15    13 S   HC   HG12    15     1.09635   110.10225    57.92458
   16    13 S   C    _CD1    16     1.51790   112.22526   178.30292
   17    16 S   O    _OE1    17     1.22729   123.23605    -6.76579
   18    16 S   N    _N2_    18     1.38629   111.66071   173.38100
   19    18 S   H    _HN2    19     1.01589   119.04541     1.70088
   20    18 S   CT1  _CA2    20     1.46222   123.33774  -177.70672
   21    20 S   HC   _HA2    21     1.09733   109.34197   -13.11271
   22    20 S   C    _C2_    22     1.53385   108.39591  -128.88249
   23    22 S   O    _O2_    23     1.23012   122.23579  -145.62582
   24    20 S   CT   _CB2    32     1.53482   111.41605   108.85125
   25    24 S   HC   HB21    33     1.09597   109.80716    56.20448
   26    24 S   HC   HB22    34     1.09486   110.31964   175.20850
   27    22 S   N    _N3_    24     1.38506   113.35635    41.71545
   28    27 S   H    _HN3    25     1.01528   118.92479    -0.56510
   29    24 S   S    _SG2    35     1.82746   111.73042   -64.74789
   30    27 S   CT   _CA3    26     1.45452   123.43734   175.11176
   31    30 S   HC   HA31    27     1.09523   109.23171    24.50676
   32    30 S   HC   HA32    28     1.09495   107.12478   141.51047
   33    29 S   CT   _C18    36     1.82679    99.66667   167.20348
   34    33 S   HC   _H3_    37     1.09669   108.80983   -48.58712
   35    30 S   CO3  _C3_    29     1.52926   113.11387   -98.96564
   36    35 S   O2Z  _O31    30     1.26402   115.40372   -44.50173
   37    35 S   O2Z  _O32    31     1.26356   114.98360   136.43216
   38    33 S   CT   _C12    38     1.52587   109.02723    71.85869
   39    38 S   HC   _H31    39     1.09516   113.41502    39.17814
   40    38 S   HC   _H32    40     1.09330   111.91742   -86.85576
   41    38 S   CO4  _C6_    41     1.49895   102.49535   154.97721
   42    41 S   O    _O22    42     1.22643   122.71738   166.37337
   43    41 S   CT   _C19    43     1.53052   113.02756   -14.36592
   44    33 S   CT   _C16    44     1.55183   114.15942  -171.13532
   45    44 S   HC   _H36    45     1.09883   107.73020   -42.67834
   46    43 S   CT   _C17    61     1.54872   108.29333  -127.41778
   47    46 S   HC   _H37    62     1.09745   108.12315   -59.50184
   48    43 S   CT   _C23    81     1.53698   104.97436   111.56104
   49    48 S   HC   _H48    82     1.09053   113.43209   179.03856
   50    48 S   HC   _H49    83     1.09686   110.76722    58.99608
   51    48 S   HC   _H50    84     1.09608   111.40353   -59.44742
   52    44 S   CT   _C14    46     1.54357   114.16798    77.32295
   53    52 S   HC   _H34    47     1.09867   108.36827    45.26318
   54    46 S   OS   _O26    63     1.46252   106.67900    55.66881
   55    52 S   CO4  _C7_    48     1.52217   113.36479   162.30278
   56    55 S   O    _O23    49     1.23525   119.05999  -145.08501
   57    54 S   CO4  _C11    64     1.35964   118.66847  -144.65912
   58    57 S   O    _O24    65     1.22200   125.81242    -2.01654
   59    52 S   CT   _C22    77     1.53021   114.46759   -74.87516
   60    59 S   HC   _H45    78     1.09521   111.45904   -46.21804
   61    59 S   HC   _H46    79     1.09638   111.30633  -165.82995
   62    59 S   HC   _H47    80     1.09276   111.43392    75.49760
   63    55 S   CT   _C15    50     1.52920   119.14276    38.49840
   64    63 S   HC   _H35    51     1.09436   109.65337    46.83176
   65    57 S   CM   _C10    66     1.49664   109.26128   177.94576
   66    63 S   CT   _C13    52     1.52201   117.23034   -83.02302
   67    66 S   HC   _H33    53     1.10256   105.36884   173.92659
   68    65 S   CM   _C9_    67     1.34650   115.96511  -169.42787
   69    68 S   HC   _H30    68     1.08941   119.34006     0.02798
   70    65 S   CT   _C21    73     1.50107   118.21848    11.39527
   71    70 S   HC   _H42    74     1.09508   110.35612   -69.47155
   72    70 S   HC   _H43    75     1.09574   110.44549    50.51357
   73    70 S   HC   _H44    76     1.09212   113.28218   169.71822
   74    66 S   CM   _C4_    54     1.49218    99.80020   -78.98747
   75    68 S   CT   _C20    69     1.49583   127.57811   179.15628
   76    75 S   HC   _H39    70     1.09493   109.40787  -127.19362
   77    75 S   HC   _H40    71     1.09432   109.76369   114.41054
   78    75 S   HC   _H41    72     1.09138   113.84719    -7.18201
   79    74 S   CO4  _C5_    55     1.48355   106.65169   -30.30890
   80    79 S   O    _O21    56     1.21689   127.29266  -165.58950
   81    74 S   CM   _C8_    58     1.33477   131.51271   149.61045
   82    81 S   HC   _H28    59     1.08405   121.56207     0.38512
   83    81 S   HC   _H29    60     1.08551   121.43414  -179.86583
   84    63 S   OS   _O25    57     1.44762   105.67168   162.93849
  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  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  18   6  19   7   6
   2   1   1  11   7   9  12   5  10   3   4   2   1   1   8   5
  10   8   4   9   5   4   2   1   1   6   3   2   1   1   5   2
   3   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    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    66    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    63    66    67    74    46    47    54    57    59    48    49    50    51  
   45    52    53    55    56    63    66    46    47    54    59    60    61    62    48    49    50    51  
   52    53    55    46    59    48  
   47    54    57    58    65    48    49    50    51    52    55    63    64    66    67    74    79    81    84  
   54    57    48    63    66    67    74  
   49    50    51    52    54    66  
   50    51  
   51  
    0  
   53    55    56    63    64    66    84    59    60    61    62  
   55    56    63    59    60    61    62  
   57    58    65    68    70    63    66    67    74  
   56    63    64    66    67    74    79    84    59    60    61    62  
   63    64    66    84    59  
   58    65    68    69    75    70    71    72    73    66  
   65    68    70  
   60    61    62    63  
   61    62  
   62  
    0  
   64    66    67    74    79    80    84    81  
   66    67    74    79    84  
   68    69    75    76    77    78    70    71    72    73  
   67    74    79    80    84    81    82    83  
   74    79    84    81  
   69    75    76    77    78    70    71    72    73  
   75    76    77    78    70  
   71    72    73    75  
   72    73  
   73  
    0  
   79    80    84    81    82    83  
   76    77    78  
   77    78  
   78  
    0  
   80    84    81    82    83  
   84    81  
   82    83    84  
   83  
    0  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.522
   52    59   268.000  1.529
   55    56   570.000  1.229
   55    63   317.000  1.522
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    84   320.000  1.410
   66    67   340.000  1.090
   66    74   317.000  1.510
   66    46   268.000  1.529
   74    79   320.000  1.462
   74    81   549.000  1.340
   79    80   570.000  1.229
   79    84   214.000  1.327
   81    82   340.000  1.080
   81    83   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    57   214.000  1.327
   57    58   570.000  1.229
   57    65   320.000  1.462
   65    68   549.000  1.340
   65    70   317.000  1.510
   68    69   340.000  1.080
   68    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    66    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    63.00000  111.10000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    80.00000  120.40000
   52    55    63    70.00000  116.00000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   55    52    53    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    66    63.00000  111.10000
   55    63    84    90.00000  108.74100
   63    55    56    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    74    70.00000  112.02700
   63    66    46    58.35000  112.70000
   63    84    79    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    74    79    65.00000  116.34900
   66    74    81    70.00000  124.00000
   66    46    47    37.50000  110.70000
   66    46    54    50.00000  109.50000
   74    66    67    35.00000  109.50000
   74    79    80    80.00000  123.72100
   74    79    84    90.00000  111.29400
   74    81    82    35.00000  120.00000
   74    81    83    35.00000  120.00000
   84    63    64    35.00000  109.50000
   84    63    66    50.00000  109.50000
   84    79    80    83.00000  123.40000
   81    74    79    65.00000  118.96000
   83    81    82    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    66    67    37.50000  110.70000
   46    66    74    70.00000  112.02700
   46    54    57    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    57    58    83.00000  123.40000
   54    57    65    90.00000  111.29400
   57    65    68    65.00000  118.96000
   57    65    70    65.00000  116.34900
   65    57    58    80.00000  123.72100
   65    68    69    35.00000  120.00000
   65    68    75    70.00000  124.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   68    75    76    35.00000  109.50000
   68    75    77    35.00000  109.50000
   68    75    78    35.00000  109.50000
   75    68    69    35.00000  117.00000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   70    65    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    55    63.00000  111.10000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55  -0.95700  1.0 1.0
   33    44    52    55  -0.18200 -1.0 2.0
   33    44    52    55   0.29450  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    66  -0.95700  1.0 1.0
   41    43    46    66  -0.18200 -1.0 2.0
   41    43    46    66   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55  -0.95700  1.0 1.0
   43    44    52    55  -0.18200 -1.0 2.0
   43    44    52    55   0.29450  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    57  -0.25900  1.0 1.0
   43    46    54    57  -0.47000 -1.0 2.0
   43    46    54    57   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    66   0.56750  1.0 1.0
   44    43    46    66  -0.07550 -1.0 2.0
   44    43    46    66   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.30150 -1.0 2.0
   44    52    55    63   0.60050  1.0 1.0
   44    52    55    63   0.05600 -1.0 2.0
   44    52    55    63   0.26150  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55  -0.11250  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    55    63    64   0.00000  1.0 1.0
   52    55    63    66   0.60050  1.0 1.0
   52    55    63    66   0.05600 -1.0 2.0
   52    55    63    66   0.26150  1.0 3.0
   52    55    63    84   0.55300  1.0 1.0
   52    55    63    84   1.25850 -1.0 2.0
   52    55    63    84  -0.23600  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    63   0.00000  1.0 1.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   55    52    59    60  -0.11250  1.0 3.0
   55    52    59    61  -0.11250  1.0 3.0
   55    52    59    62  -0.11250  1.0 3.0
   55    63    66    67  -0.11250  1.0 3.0
   55    63    66    74  -0.98800  1.0 1.0
   55    63    66    74   0.48800 -1.0 2.0
   55    63    66    74   0.76800  1.0 3.0
   55    63    66    46  -0.95700  1.0 1.0
   55    63    66    46  -0.18200 -1.0 2.0
   55    63    66    46   0.29450  1.0 3.0
   55    63    84    79  -1.80650  1.0 1.0
   55    63    84    79   0.63900 -1.0 2.0
   55    63    84    79   0.03650  1.0 3.0
   56    55    63    64   0.00000  1.0 1.0
   56    55    63    66   0.30150 -1.0 2.0
   56    55    63    84   0.30150 -1.0 2.0
   63    66   -74    79   0.09700  1.0 1.0
   63    66   -74    79   0.15600 -1.0 2.0
   63    66   -74    79  -0.50800  1.0 3.0
   63    66    74    81   0.09850  1.0 1.0
   63    66    74    81   0.15250 -1.0 2.0
   63    66    74    81  -0.50650  1.0 3.0
   63    66    46    43   0.56750  1.0 1.0
   63    66    46    43  -0.07550 -1.0 2.0
   63    66    46    43   0.20000  1.0 3.0
   63    66    46    47   0.15000  1.0 3.0
   63    66    46    54   0.62750  1.0 1.0
   63    66    46    54  -0.30950 -1.0 2.0
   63    66    46    54   0.27300  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    74   0.15000  1.0 3.0
   64    63    66    46   0.15000  1.0 3.0
   64    63    84    79   0.08050  1.0 3.0
   66    63   -84    79  -0.25900  1.0 1.0
   66    63   -84    79  -0.47000 -1.0 2.0
   66    63   -84    79   0.11750  1.0 3.0
   66    74    79    80  -0.64400  1.0 1.0
   66    74    79    80   0.26850 -1.0 2.0
   66    74   -79    84  -0.15000  1.0 1.0
   66    74   -79    84   0.89550 -1.0 2.0
   66    74   -79    84  -0.06900  1.0 3.0
   66    74    81    82   7.00000 -1.0 2.0
   66    74    81    83   7.00000 -1.0 2.0
   66    46    54    57  -0.25900  1.0 1.0
   66    46    54    57  -0.47000 -1.0 2.0
   66    46    54    57   0.11750  1.0 3.0
   67    66    74    79   0.15000  1.0 3.0
   67    66    74    81   0.00000  1.0 1.0
   67    66    46    43   0.15000  1.0 3.0
   67    66    46    47   0.15000  1.0 3.0
   67    66    46    54   0.23400  1.0 3.0
   74    66    46    43   0.34400  1.0 1.0
   74    66    46    43   0.09450 -1.0 2.0
   74    66    46    43   0.11100  1.0 3.0
   74    66    46    47   0.15000  1.0 3.0
   74    66    46    54   0.61850  1.0 1.0
   74    66    46    54  -0.22750 -1.0 2.0
   74    66    46    54   0.15300  1.0 3.0
   74    79   -84    63   2.00000 -1.0 2.0
   79    74    81    82   7.00000 -1.0 2.0
   79    74    81    83   7.00000 -1.0 2.0
   80    79    84    63   3.00000 -1.0 2.0
   84    63    66    67   0.23400  1.0 3.0
   84    63   -66    74   0.61850  1.0 1.0
   84    63   -66    74  -0.22750 -1.0 2.0
   84    63   -66    74   0.15300  1.0 3.0
   84    63    66    46   0.62750  1.0 1.0
   84    63    66    46  -0.30950 -1.0 2.0
   84    63    66    46   0.27300  1.0 3.0
   81    74    79    80   1.00000 -1.0 2.0
   81    74    79    84  -0.56150  1.0 1.0
   81    74    79    84   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    66    74    79   0.09700  1.0 1.0
   46    66    74    79   0.15600 -1.0 2.0
   46    66    74    79  -0.50800  1.0 3.0
   46    66    74    81   0.09850  1.0 1.0
   46    66    74    81   0.15250 -1.0 2.0
   46    66    74    81  -0.50650  1.0 3.0
   46    54    57    58   3.00000 -1.0 2.0
   46    54    57    65   2.00000 -1.0 2.0
   47    46    54    57   0.08050  1.0 3.0
   54    57    65    68  -0.56150  1.0 1.0
   54    57    65    68   2.19150 -1.0 2.0
   54    57    65    70  -0.15000  1.0 1.0
   54    57    65    70   0.89550 -1.0 2.0
   54    57    65    70  -0.06900  1.0 3.0
   57    65    68    69   7.00000 -1.0 2.0
   57    65    68    75   7.00000 -1.0 2.0
   57    65    70    71   0.15000  1.0 3.0
   57    65    70    72   0.15000  1.0 3.0
   57    65    70    73   0.15000  1.0 3.0
   58    57    65    68   1.00000 -1.0 2.0
   58    57    65    70  -0.64400  1.0 1.0
   58    57    65    70   0.26850 -1.0 2.0
   65    68    75    76   0.00000  1.0 1.0
   65    68    75    77   0.00000  1.0 1.0
   65    68    75    78   0.00000  1.0 1.0
   68    65    70    71   0.00000  1.0 1.0
   68    65    70    72   0.00000  1.0 1.0
   68    65    70    73   0.00000  1.0 1.0
   69    68    75    76   0.33100  1.0 3.0
   69    68    75    77   0.33100  1.0 3.0
   69    68    75    78   0.33100  1.0 3.0
   70    65    68    69   7.00000 -1.0 2.0
   70    65    68    75   7.00000 -1.0 2.0
   59    52    55    56   0.30150 -1.0 2.0
   59    52    55    63   0.60050  1.0 1.0
   59    52    55    63   0.05600 -1.0 2.0
   59    52    55    63   0.26150  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    66   0.56750  1.0 1.0
   48    43    46    66  -0.07550 -1.0 2.0
   48    43    46    66   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   52    63    55    56  10.50000 -1.0 2.0
   66    79    74    81   1.10000 -1.0 2.0
   74    84    79    80  10.50000 -1.0 2.0
   82    83    81    74   1.10000 -1.0 2.0
   54    65    57    58  10.50000 -1.0 2.0
   57    70    65    68  15.00000 -1.0 2.0
   75    69    68    65  15.00000 -1.0 2.0
END
