* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    240     474
    1     0 S   NP   _N1_     1    28.91431    93.95518   -20.53045
    2     1 S   H    _HN1     2     1.03055    95.62379    45.97983
    3     1 S   H    _H1_     3     1.02806    25.16885   164.65591
    4     1 S   H    _H2_     4     1.02759    91.32777   -62.49842
    5     1 S   CT   _CA1     5     1.50141   135.78584   172.80571
    6     5 S   HC   _HA1     6     1.09591   105.02246    56.28243
    7     5 S   CO3  _C1_     7     1.53810   112.60985   -63.31752
    8     7 S   O2Z  _O11     8     1.26334   115.08093   -36.44310
    9     7 S   O2Z  _O12     9     1.26278   114.89949   142.20346
   10     5 S   CT   _CB1    10     1.53080   107.29243   173.89000
   11    10 S   HC   HB11    11     1.09800   108.97469   -50.35886
   12    10 S   HC   HB12    12     1.09820   110.49934    66.06472
   13    10 S   CT   _CG1    13     1.52993   112.81073  -171.70509
   14    13 S   HC   HG11    14     1.09539   110.17261   -67.58412
   15    13 S   HC   HG12    15     1.09657   110.16904    51.32352
   16    13 S   C    _CD1    16     1.51896   112.39476   170.86602
   17    16 S   O    _OE1    17     1.22750   123.10222   -16.73834
   18    16 S   N    _N2_    18     1.38569   111.80443   165.30750
   19    18 S   H    _HN2    19     1.01582   118.96917    -2.01470
   20    18 S   CT1  _CA2    20     1.46320   123.58527   178.28811
   21    20 S   HC   _HA2    21     1.09744   109.30011   -15.26344
   22    20 S   C    _C2_    22     1.53519   108.14279  -130.63036
   23    22 S   O    _O2_    23     1.23010   122.37614  -147.03603
   24    20 S   CT   _CB2    32     1.53450   111.40094   107.10896
   25    24 S   HC   HB21    33     1.09362   109.35122    53.31348
   26    24 S   HC   HB22    34     1.09527   110.49598   171.45776
   27    22 S   N    _N3_    24     1.38566   113.32308    40.49795
   28    27 S   H    _HN3    25     1.01532   118.82475    -0.84650
   29    24 S   S    _SG2    35     1.83404   111.10016   -70.19744
   30    27 S   CT   _CA3    26     1.45436   123.54184   175.18562
   31    30 S   HC   HA31    27     1.09518   109.32532    22.65764
   32    30 S   HC   HA32    28     1.09499   107.09849   139.65834
   33    29 S   CT   _C17    36     1.85868   102.94608   147.19457
   34    33 S   OM   _O38    37     1.32104   110.05450    49.88150
   35    30 S   CO3  _C3_    29     1.52910   113.06561  -100.89446
   36    35 S   O2Z  _O31    30     1.26407   115.39472   -45.28494
   37    35 S   O2Z  _O32    31     1.26354   115.00136   135.67634
   38    33 S   CT   _C16    38     1.54381   110.15425   -68.47071
   39    38 S   HC   _H15    39     1.10068   111.54943   171.15813
   40    38 S   HC   _H16    40     1.09673   113.27101    52.02029
   41    38 S   CO4  _C15    41     1.50909   111.47932   -70.53414
   42    41 S   O    _O37    42     1.22997   121.77804   128.28872
   43    41 S   CT   _C14    43     1.50955   116.15694   -56.42355
   44    43 S   HC   _H13    44     1.09652   106.95279   175.95843
   45    43 S   HC   _H14    45     1.09594   107.50514   -67.71042
   46    43 S   CT   _C13    46     1.53644   111.32316    54.60042
   47    33 S   CT   _C12    47     1.57525   111.30442   170.41327
   48    47 S   HC   _H3_    48     1.10352   107.38557  -174.12057
   49    46 S   CT   _C18    70     1.54818   110.57943  -171.23814
   50    49 S   HC   _H17    71     1.09717   110.62056    70.77909
   51    49 S   HC   _H18    72     1.09535   111.24609  -170.81241
   52    46 S   OH   _O42    89     1.43004   106.36003    71.94970
   53    52 S   HO   _H25    90     0.97402   108.20734  -168.07937
   54    47 S   CO4  _C11    49     1.54931   113.18486   -58.34101
   55    54 S   O    _O36    50     1.23242   121.72392    89.84341
   56    49 S   CO4  _C19    73     1.52107   114.26552   -50.10279
   57    56 S   O    _O39    74     1.23186   120.21503    89.40119
   58    54 S   CT   _C10    51     1.51588   117.44411   -89.48731
   59    58 S   HC   _H11    52     1.09443   108.27757    89.02552
   60    58 S   HC   _H12    53     1.09452   110.12934   -29.18413
   61    56 S   CT   _C20    75     1.52953   116.61519   -92.48294
   62    61 S   HC   _H19    76     1.09831   107.33766   -78.59539
   63    61 S   HC   _H20    77     1.09723   108.67960    35.52868
   64    58 S   CO4  _C9_    54     1.51293   114.34929  -149.78716
   65    64 S   O    _O35    55     1.23160   121.22870  -121.88697
   66    61 S   CMA  _C21    78     1.52527   112.49517   156.61988
   67    66 S   OM   _O41    79     1.26206   111.50819   101.82328
   68    64 S   CT   _C8_    56     1.51300   117.54645    59.42891
   69    68 S   HC   _H9_    57     1.09505   108.23574   130.16327
   70    68 S   HC   _H10    58     1.09460   108.61384    13.79404
   71    66 S   CM   _C22    80     1.35177   115.89527   -79.37742
   72    71 S   HC   _H21    81     1.08784   119.23777     0.80673
   73    68 S   CO4  _C7_    59     1.51295   114.46025  -108.48243
   74    73 S   O    _O34    60     1.23047   121.92321   -18.11955
   75    71 S   CO4  _C23    82     1.49070   124.16270  -179.81977
   76    75 S   O    _O40    83     1.22187   125.23993    -0.43069
   77    73 S   CT   _C6_    61     1.51424   116.34267   165.78773
   78    77 S   HC   _H7_    62     1.09480   107.15359    90.50249
   79    77 S   HC   _H8_    63     1.09489   109.40018   -27.23325
   80    75 S   S    _S1_    84     1.76451   112.30987   179.35654
   81    77 S   CO4  _C5_    64     1.51285   115.21564  -147.63171
   82    81 S   O    _O33    65     1.22997   122.67497    20.49200
   83    80 S   CT   _C24    85     1.80594   100.13680   168.28459
   84    83 S   HC   _H22    86     1.09327   109.25841  -178.16091
   85    83 S   HC   _H23    87     1.09332   110.56343    62.51605
   86    83 S   HC   _H24    88     1.09337   110.50327   -58.84020
   87    81 S   CT   _C4_    66     1.50631   116.31613  -162.39150
   88    87 S   HC   _H4_    67     1.09276   109.62942    60.13716
   89    87 S   HC   _H5_    68     1.09356   109.71488   179.48795
   90    87 S   HC   _H6_    69     1.09276   109.53223   -60.95382
  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  11   5   4   8   4  12   5   4  13  13   5
  11   5   4   3   1   7   4   7   4   8   4   3   7   4   3   7
   4   6   3   8   4   3   5   3   7   4   6   2   8   4   3   4
   5   4   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    47    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    54    55    58    49    52  
   38    39    40    41    46    47    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    54  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    54    49    50    51    56    52    53  
   45    46    47    49    52  
   46    47    49    52  
   47    48    54    55    58    49    50    51    56    57    61    52    53  
   48    54    55    58    59    60    64    49    50    51    56    52    53  
   54    55    58    49    52  
   50    51    56    57    61    62    63    66    52    53    54  
   51    56    57    61    52  
   56    57    61    52  
   53    54    56  
    0  
   55    58    59    60    64    65    68  
   58    59    60    64  
   57    61    62    63    66    67    71  
   61    62    63    66  
   59    60    64    65    68    69    70    73  
   60    64    65    68  
   64    65    68  
   62    63    66    67    71    72    75  
   63    66    67    71  
   66    67    71  
   65    68    69    70    73    74    77  
   68    69    70    73  
   67    71    72    75    76    80  
   71    72    75  
   69    70    73    74    77    78    79    81  
   70    73    74    77  
   73    74    77  
   72    75    76    80    83  
   75    76    80  
   74    77    78    79    81    82    87  
   77    78    79    81  
   76    80    83    84    85    86  
   80    83  
   78    79    81    82    87    88    89    90  
   79    81    82    87  
   81    82    87  
   83    84    85    86  
   82    87    88    89    90  
   87    88    89    90  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90  
   89    90  
   90  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   81   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   570.000  1.307
   33    38   268.000  1.529
   33    47   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   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   268.000  1.529
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   317.000  1.522
   73    74   570.000  1.229
   73    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    81   317.000  1.522
   81    82   570.000  1.229
   81    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   270.000  1.512
   66    67   745.000  1.250
   66    71   465.000  1.376
   71    72   340.000  1.080
   71    75   320.000  1.462
   75    76   570.000  1.229
   75    80   210.000  1.799
   80    83   222.000  1.810
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   52    53   553.000  0.945
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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    47    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    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    63.00000  111.10000
   38    33    34    50.00000  109.50000
   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    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    58.35000  112.70000
   43    46    49    58.35000  112.70000
   43    46    52    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    54    63.00000  111.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    63.00000  111.10000
   46    52    53    55.00000  108.50000
   47    33    34    50.00000  109.50000
   47    33    38    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    58    70.00000  116.00000
   54    47    48    35.00000  109.50000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    64    75.00000  107.99600
   58    54    55    80.00000  120.40000
   58    64    65    80.00000  120.40000
   58    64    68    70.00000  116.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    73    75.00000  107.99600
   68    64    65    80.00000  120.40000
   68    73    74    80.00000  120.40000
   68    73    77    70.00000  116.00000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    81    75.00000  107.99600
   77    73    74    80.00000  120.40000
   77    81    82    80.00000  120.40000
   77    81    87    70.00000  116.00000
   79    77    78    33.00000  107.80000
   81    77    78    35.00000  109.50000
   81    77    79    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    89    35.00000  109.50000
   81    87    90    35.00000  109.50000
   87    81    82    80.00000  120.40000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   49    46    47    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    61    70.00000  116.00000
   51    49    50    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    51    35.00000  109.50000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    66    70.00000  109.06800
   61    56    57    80.00000  120.40000
   61    66    67    85.00000  112.85300
   61    66    71    65.00000  122.18000
   63    61    62    33.00000  107.80000
   66    61    62    45.00000  110.52000
   66    61    63    45.00000  110.52000
   66    71    72    40.00000  120.50800
   66    71    75    60.00000  125.92000
   71    66    67    65.00000  137.10300
   71    75    76    80.00000  123.72100
   71    75    80    65.00000  119.00000
   75    71    72    40.00000  117.72500
   75    80    83    90.00000   96.72000
   80    75    76    80.00000  121.30200
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   52    46    47    50.00000  109.50000
   52    46    49    50.00000  109.50000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  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    47    54    55   0.30150 -1.0 2.0
   33    47    54    58   0.60050  1.0 1.0
   33    47    54    58   0.05600 -1.0 2.0
   33    47    54    58   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.09450  1.0 1.0
   34    33    38    41  -1.12950 -1.0 2.0
   34    33    38    41   0.54000  1.0 3.0
   34    33    47    46   0.62750  1.0 1.0
   34    33    47    46  -0.30950 -1.0 2.0
   34    33    47    46   0.27300  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    54  -0.09450  1.0 1.0
   34    33    47    54  -1.12950 -1.0 2.0
   34    33    47    54   0.54000  1.0 3.0
   38    33    47    46   0.56750  1.0 1.0
   38    33    47    46  -0.07550 -1.0 2.0
   38    33    47    46   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    54  -0.95700  1.0 1.0
   38    33    47    54  -0.18200 -1.0 2.0
   38    33    47    54   0.29450  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   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
   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    46    47  -0.95700  1.0 1.0
   41    43    46    47  -0.18200 -1.0 2.0
   41    43    46    47   0.29450  1.0 3.0
   41    43    46    49  -0.95700  1.0 1.0
   41    43    46    49  -0.18200 -1.0 2.0
   41    43    46    49   0.29450  1.0 3.0
   41    43    46    52  -0.09450  1.0 1.0
   41    43    46    52  -1.12950 -1.0 2.0
   41    43    46    52   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    54  -0.95700  1.0 1.0
   43    46    47    54  -0.18200 -1.0 2.0
   43    46    47    54   0.29450  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    56  -0.95700  1.0 1.0
   43    46    49    56  -0.18200 -1.0 2.0
   43    46    49    56   0.29450  1.0 3.0
   43    46    52    53  -0.11600  1.0 1.0
   43    46    52    53  -0.09450 -1.0 2.0
   43    46    52    53   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   44    43    46    52   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   45    43    46    52   0.23400  1.0 3.0
   46    47    54    55   0.30150 -1.0 2.0
   46    47    54    58   0.60050  1.0 1.0
   46    47    54    58   0.05600 -1.0 2.0
   46    47    54    58   0.26150  1.0 3.0
   46    49    56    57   0.30150 -1.0 2.0
   46    49    56    61   0.60050  1.0 1.0
   46    49    56    61   0.05600 -1.0 2.0
   46    49    56    61   0.26150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56  -0.95700  1.0 1.0
   47    46    49    56  -0.18200 -1.0 2.0
   47    46    49    56   0.29450  1.0 3.0
   47    46    52    53  -0.11600  1.0 1.0
   47    46    52    53  -0.09450 -1.0 2.0
   47    46    52    53   0.21250  1.0 3.0
   47    54    58    59   0.00000  1.0 1.0
   47    54    58    60   0.00000  1.0 1.0
   47    54    58    64   0.65300  1.0 1.0
   47    54    58    64  -0.03850 -1.0 2.0
   47    54    58    64   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   54    58    64    65   0.30150 -1.0 2.0
   54    58    64    68   0.65300  1.0 1.0
   54    58    64    68  -0.03850 -1.0 2.0
   54    58    64    68   0.33900  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    64   0.30150 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64    68    73   0.65300  1.0 1.0
   58    64    68    73  -0.03850 -1.0 2.0
   58    64    68    73   0.33900  1.0 3.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   64    68    73    74   0.30150 -1.0 2.0
   64    68    73    77   0.65300  1.0 1.0
   64    68    73    77  -0.03850 -1.0 2.0
   64    68    73    77   0.33900  1.0 3.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    73   0.30150 -1.0 2.0
   68    73    77    78   0.00000  1.0 1.0
   68    73    77    79   0.00000  1.0 1.0
   68    73    77    81   0.65300  1.0 1.0
   68    73    77    81  -0.03850 -1.0 2.0
   68    73    77    81   0.33900  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    77   0.00000  1.0 1.0
   70    68    73    74   0.00000  1.0 1.0
   70    68    73    77   0.00000  1.0 1.0
   73    77    81    82   0.30150 -1.0 2.0
   73    77    81    87   0.65300  1.0 1.0
   73    77    81    87  -0.03850 -1.0 2.0
   73    77    81    87   0.33900  1.0 3.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    81   0.30150 -1.0 2.0
   77    81    87    88   0.00000  1.0 1.0
   77    81    87    89   0.00000  1.0 1.0
   77    81    87    90   0.00000  1.0 1.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    87   0.00000  1.0 1.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    87   0.00000  1.0 1.0
   82    81    87    88   0.00000  1.0 1.0
   82    81    87    89   0.00000  1.0 1.0
   82    81    87    90   0.00000  1.0 1.0
   49    46    47    33   0.56750  1.0 1.0
   49    46    47    33  -0.07550 -1.0 2.0
   49    46    47    33   0.20000  1.0 3.0
   49    46    47    48   0.15000  1.0 3.0
   49    46    47    54  -0.95700  1.0 1.0
   49    46    47    54  -0.18200 -1.0 2.0
   49    46    47    54   0.29450  1.0 3.0
   49    46    52    53  -0.11600  1.0 1.0
   49    46    52    53  -0.09450 -1.0 2.0
   49    46    52    53   0.21250  1.0 3.0
   49    56    61    62   0.00000  1.0 1.0
   49    56    61    63   0.00000  1.0 1.0
   49    56    61    66   0.65300  1.0 1.0
   49    56    61    66  -0.03850 -1.0 2.0
   49    56    61    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    61   0.00000  1.0 1.0
   51    49    56    57   0.00000  1.0 1.0
   51    49    56    61   0.00000  1.0 1.0
   56    61    66    67   0.09700  1.0 1.0
   56    61    66    67   0.15600 -1.0 2.0
   56    61    66    67  -0.50800  1.0 3.0
   56    61    66    71  -0.51250  1.0 1.0
   56    61    66    71  -0.88800 -1.0 2.0
   56    61    66    71   0.08850  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    66   0.30150 -1.0 2.0
   61    66    71    72   7.00000 -1.0 2.0
   61    66    71    75   7.00000 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    71   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    71   0.00000  1.0 1.0
   66    71    75    76   1.00000 -1.0 2.0
   66    71    75    80   0.50400  1.0 1.0
   66    71    75    80   1.60000 -1.0 2.0
   66    71    75    80  -0.01800  1.0 3.0
   67    66    71    72   7.00000 -1.0 2.0
   67    66    71    75   7.00000 -1.0 2.0
   71    75    80    83  -0.11550  1.0 1.0
   71    75    80    83   1.88700 -1.0 2.0
   72    71    75    76   0.00000  1.0 1.0
   72    71    75    80   0.92800 -1.0 2.0
   75    80    83    84   0.24000  1.0 3.0
   75    80    83    85   0.24000  1.0 3.0
   75    80    83    86   0.24000  1.0 3.0
   76    75    80    83  -0.11550  1.0 1.0
   76    75    80    83   1.88700 -1.0 2.0
   52    46    47    33   0.86500  1.0 1.0
   52    46    47    33  -0.17500 -1.0 2.0
   52    46    47    33   0.20800  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    54  -0.09450  1.0 1.0
   52    46    47    54  -1.12950 -1.0 2.0
   52    46    47    54   0.54000  1.0 3.0
   52    46    49    50   0.23400  1.0 3.0
   52    46    49    51   0.23400  1.0 3.0
   52    46    49    56  -0.09450  1.0 1.0
   52    46    49    56  -1.12950 -1.0 2.0
   52    46    49    56   0.54000  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
   38    43    41    42  10.50000 -1.0 2.0
   47    58    54    55  10.50000 -1.0 2.0
   58    68    64    65  10.50000 -1.0 2.0
   68    77    73    74  10.50000 -1.0 2.0
   77    87    81    82  10.50000 -1.0 2.0
   49    61    56    57  10.50000 -1.0 2.0
   61    67    66    71  15.00000 -1.0 2.0
   75    72    71    66  15.00000 -1.0 2.0
   71    80    75    76  10.50000 -1.0 2.0
END
