* LIGAND DATABASE FILE (OPLS2005)
*
001      87    89    159    242     464
    1     0 S   NP   _N1_     1    29.77916    89.93770   -24.85188
    2     1 S   H    _HN1     2     1.02809     3.44628   133.95479
    3     1 S   H    _H1_     3     1.02907   105.69911   -97.11769
    4     1 S   H    _H2_     4     1.02946   105.53779    16.84169
    5     1 S   CT   _CA1     5     1.50141   114.35815   138.42829
    6     5 S   HC   _HA1     6     1.09554   105.36659    57.14665
    7     5 S   CO3  _C1_     7     1.53785   112.24038   -63.44153
    8     7 S   O2Z  _O11     8     1.26390   115.00767   -46.07049
    9     7 S   O2Z  _O12     9     1.26229   114.93278   133.11846
   10     5 S   CT   _CB1    10     1.52914   107.41195   175.20351
   11    10 S   HC   HB11    11     1.09679   109.33221   -50.79091
   12    10 S   HC   HB12    12     1.09779   110.26329    65.71296
   13    10 S   CT   _CG1    13     1.53047   113.19987  -171.38126
   14    13 S   HC   HG11    14     1.09558   110.79088   -60.65836
   15    13 S   HC   HG12    15     1.09610   110.04506    59.02368
   16    13 S   C    _CD1    16     1.51623   111.39695   179.59555
   17    16 S   O    _OE1    17     1.22695   123.00356     5.30556
   18    16 S   N    _N2_    18     1.38385   112.53077  -175.68716
   19    18 S   H    _HN2    19     1.01572   119.34444     3.51374
   20    18 S   CT1  _CA2    20     1.46060   122.59107  -178.36601
   21    20 S   HC   _HA2    21     1.09538   109.35730     0.27411
   22    20 S   C    _C2_    22     1.53201   108.29704  -113.86568
   23    22 S   O    _O2_    23     1.22968   122.60331  -138.74172
   24    20 S   CT   _CB2    32     1.53301   111.91862   122.30889
   25    24 S   HC   HB21    33     1.09664   109.44008    65.45586
   26    24 S   HC   HB22    34     1.09487   110.79294  -177.69370
   27    22 S   N    _N3_    24     1.38485   113.00028    48.62498
   28    27 S   H    _HN3    25     1.01631   119.58211    -4.13034
   29    24 S   S    _SG2    35     1.83485   114.90842   -53.66216
   30    27 S   CT   _CA3    26     1.45255   123.16938   176.20868
   31    30 S   HC   HA31    27     1.09560   107.65506   -58.24756
   32    30 S   HC   HA32    28     1.09543   107.81100    58.16249
   33    29 S   CT   _C23    36     1.84884   101.52164   -63.79453
   34    33 S   HC   _H3_    37     1.09143   107.35311    38.01945
   35    30 S   CO3  _C3_    29     1.52939   114.04435   179.84051
   36    35 S   O2Z  _O31    30     1.26362   116.04393    -7.51374
   37    35 S   O2Z  _O32    31     1.26412   114.46842   172.53034
   38    33 S   CT   _C21    38     1.53241   107.69076   -78.62973
   39    38 S   HC   _H46    39     1.09585   112.16913   -57.28747
   40    38 S   HC   _H47    40     1.09318   111.02801  -177.27337
   41    38 S   HC   _H48    41     1.09502   111.46094    63.91396
   42    33 S   CT   _C24    42     1.55828   112.55544   156.86408
   43    42 S   CO4  _C14    43     1.53706   111.10966  -168.08963
   44    43 S   O    _O24    44     1.22476   124.00068  -129.90862
   45    42 S   CT   _C22    82     1.53531   114.78226   -46.95229
   46    45 S   HC   _H49    83     1.09471   112.05587    70.30345
   47    45 S   HC   _H50    84     1.09718   110.52790  -172.21727
   48    45 S   HC   _H51    85     1.09331   111.86048   -52.65698
   49    42 S   OH   _O27    86     1.42964   109.15208    73.95137
   50    49 S   HO   _H53    87     0.97305   108.09148   179.87646
   51    43 S   OS   _O29    45     1.36378   110.49980    52.99136
   52    51 S   CT   _C16    46     1.45574   119.36627   170.41483
   53    52 S   HC   _H36    47     1.09668   109.15316   -19.07035
   54    52 S   CT   _C15    48     1.54039   107.01610  -136.89335
   55    54 S   HC   _H35    49     1.09782   110.37345   167.56957
   56    54 S   CA   _C7_    50     1.51239   110.63512   -74.48432
   57    54 S   OS   _O28    75     1.44470   109.31539    47.29860
   58    56 S   CA   _C8_    51     1.40148   120.17606   -17.16885
   59    57 S   CO4  _C13    76     1.36169   117.18598    82.61743
   60    59 S   O    _O23    77     1.22309   126.29506    -1.78904
   61    58 S   CA   _C5_    52     1.40017   120.70742   178.00247
   62    61 S   HA   _H32    53     1.08736   120.11867  -178.54640
   63    58 S   OS   _O26    65     1.37012   124.34001    -1.47485
   64    59 S   CT   _C18    78     1.49817   109.58445   177.14652
   65    64 S   HC   _H37    79     1.09263   109.66507   -67.01211
   66    64 S   HC   _H38    80     1.09366   109.36766   173.64294
   67    64 S   HC   _H39    81     1.09241   110.07555    54.82758
   68    61 S   CA   _C4_    54     1.39443   120.56522     1.96104
   69    68 S   HA   _H31    55     1.08730   119.27326  -179.91607
   70    52 S   CT   _C17    66     1.54433   110.43952   103.08838
   71    68 S   CA   _C6_    56     1.39356   119.80094     0.59149
   72    70 S   CT   _C19    67     1.54012   112.39128  -178.64737
   73    72 S   HC   _H40    68     1.09653   110.65581   177.71073
   74    72 S   HC   _H41    69     1.09498   111.28718    57.17545
   75    72 S   HC   _H42    70     1.09433   112.41054   -64.61888
   76    70 S   CT   _C20    71     1.53583   111.23349   -58.09476
   77    76 S   HC   _H43    72     1.09670   110.83641  -177.61361
   78    76 S   HC   _H44    73     1.09281   111.35947    65.30271
   79    76 S   HC   _H45    74     1.09461   111.70239   -56.88721
   80    56 S   CA   _C9_    57     1.40608   122.35256   164.69930
   81    80 S   OS   _O25    58     1.41582   118.54999     0.86886
   82    81 S   CO4  _C12    59     1.38917   122.49106  -176.23688
   83    82 S   O    _O22    60     1.22638   122.13481   175.09795
   84    82 S   CM   _C11    61     1.47158   116.68825    -4.18563
   85    84 S   HC   _H34    62     1.08406   117.39193  -178.08337
   86    71 S   CM   _C10    63     1.45359   121.50416   179.10759
   87    86 S   HC   _H33    64     1.08497   118.94318    -0.66588
  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   7   3   2   1  10  12   4   6   3   2   1
   2   1  10  18   8  15   6  13   9  11   5   4   8   4  11   3
   2   1   1   7   3   8   7   7   3   2   1   3   2   1   1   6
   5   5   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    45    46    47    48    49    50  
   38    39    40    41    42    43    45    49  
   36    37  
   37  
    0  
   39    40    41    42    43    45    49  
   40    41    42  
   41    42  
   42  
   43    44    51    52    45    46    47    48    49    50  
   44    51    52    53    54    70    45    46    47    48    49    50  
   51    52    45    49  
   46    47    48    49    50    51  
   47    48    49  
   48    49  
   49  
   50    51  
    0  
   52    53    54    55    56    63    70    72    76    57  
   53    54    55    56    58    80    63    70    72    73    74    75    76    77    78    79    57    59  
   54    55    56    63    70    72    76    57  
   55    56    58    61    71    80    81    63    70    72    76    57    59    60    64  
   56    58    80    70    57    59  
   58    61    62    68    71    80    81    82    86    63    70    57    59  
   59    60    64    65    66    67    58    70    80  
   61    62    68    69    71    80    81    63    70    72    76  
   60    64    65    66    67  
   64    65    66    67  
   62    68    69    71    80    86    63    70  
   68    69    71    63  
   70    72    73    74    75    76    77    78    79    68    80  
   65    66    67  
   66    67  
   67  
    0  
   69    71    80    81    84    86    87  
   71    80    86  
   72    73    74    75    76    77    78    79  
   80    81    82    84    85    86    87  
   73    74    75    76    77    78    79  
   74    75    76  
   75    76  
   76  
   77    78    79  
   78    79  
   79  
    0  
   81    82    83    84    86    87  
   82    83    84    85    86  
   83    84    85    86    87  
   84    85    86  
   85    86    87  
   86    87  
   87  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660   0.261800   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   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   340.000  1.090
   33    38   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   317.000  1.522
   42    45   268.000  1.529
   42    49   320.000  1.410
   43    44   570.000  1.229
   43    51   214.000  1.327
   51    52   320.000  1.410
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    70   268.000  1.529
   54    55   340.000  1.090
   54    56   317.000  1.510
   54    57   320.000  1.410
   56    58   469.000  1.400
   56    80   469.000  1.400
   58    61   469.000  1.400
   58    63   450.000  1.364
   61    62   367.000  1.080
   61    68   469.000  1.400
   68    69   367.000  1.080
   68    71   469.000  1.400
   71    80   469.000  1.400
   71    86   320.000  1.460
   80    81   450.000  1.364
   81    82   214.000  1.327
   82    83   570.000  1.229
   82    84   320.000  1.462
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   340.000  1.080
   63    70   320.000  1.410
   70    72   268.000  1.529
   70    76   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   57    59   214.000  1.327
   59    60   570.000  1.229
   59    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    63.00000  111.10000
   33    42    45    58.35000  112.70000
   33    42    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    43    44    80.00000  120.40000
   42    43    51    81.00000  111.40000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    55.00000  108.50000
   43    51    52    83.00000  116.90000
   51    43    44    83.00000  123.40000
   51    52    53    35.00000  109.50000
   51    52    54    50.00000  109.50000
   51    52    70    50.00000  109.50000
   52    54    55    37.50000  110.70000
   52    54    56    70.00000  112.17500
   52    54    57    50.00000  109.50000
   52    70    63    50.00000  109.50000
   52    70    72    58.35000  112.70000
   52    70    76    58.35000  112.70000
   54    52    53    37.50000  110.70000
   54    56    58    70.00000  120.00000
   54    56    80    70.00000  120.00000
   54    57    59    83.00000  116.90000
   56    54    55    35.00000  109.50000
   56    58    61    63.00000  120.00000
   56    58    63    70.00000  120.00000
   56    80    71    63.00000  120.00000
   56    80    81    70.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    68    63.00000  120.00000
   58    63    70    75.00000  111.00000
   61    68    69    35.00000  120.00000
   61    68    71    63.00000  120.00000
   68    61    62    35.00000  120.00000
   68    71    80    63.00000  120.00000
   68    71    86    60.00000  120.93500
   71    68    69    35.00000  120.00000
   71    80    81    70.00000  120.00000
   71    86    84    60.00000  123.20500
   71    86    87    40.00000  117.26300
   80    56    58    63.00000  120.00000
   80    81    82    85.00000  115.98000
   81    82    83    83.00000  123.40000
   81    82    84    90.00000  111.29400
   82    84    85    40.00000  117.72500
   82    84    86    65.00000  118.96000
   84    82    83    80.00000  123.72100
   84    86    87    35.00000  120.00000
   86    71    80    60.00000  120.93500
   86    84    85    35.00000  120.00000
   63    58    61    70.00000  120.00000
   63    70    72    50.00000  109.50000
   63    70    76    50.00000  109.50000
   70    52    53    37.50000  110.70000
   70    52    54    58.35000  112.70000
   70    72    73    37.50000  110.70000
   70    72    74    37.50000  110.70000
   70    72    75    37.50000  110.70000
   70    76    77    37.50000  110.70000
   70    76    78    37.50000  110.70000
   70    76    79    37.50000  110.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    70    72    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    85.00000  111.85700
   57    59    60    83.00000  123.40000
   57    59    64    81.00000  111.40000
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    67    35.00000  109.50000
   64    59    60    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   45    42    43    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    90.00000  109.61100
   49    42    45    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   0.32350  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    49   0.56750  1.0 1.0
   29    33    42    49  -0.07550 -1.0 2.0
   29    33    42    49   0.20000  1.0 3.0
   33    42    43    44   0.30150 -1.0 2.0
   33    42    43    51   0.36750  1.0 3.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    48   0.15000  1.0 3.0
   33    42    49    50  -0.11600  1.0 1.0
   33    42    49    50  -0.09450 -1.0 2.0
   33    42    49    50   0.21250  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   0.15000  1.0 3.0
   34    33    42    43  -0.11250  1.0 3.0
   34    33    42    45   0.15000  1.0 3.0
   34    33    42    49   0.23400  1.0 3.0
   38    33    42    43  -0.95700  1.0 1.0
   38    33    42    43  -0.18200 -1.0 2.0
   38    33    42    43   0.29450  1.0 3.0
   38    33    42    45   0.56750  1.0 1.0
   38    33    42    45  -0.07550 -1.0 2.0
   38    33    42    45   0.20000  1.0 3.0
   38    33    42    49   0.86500  1.0 1.0
   38    33    42    49  -0.17500 -1.0 2.0
   38    33    42    49   0.20800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    43    51    52   1.63150  1.0 1.0
   42    43    51    52   2.92000 -1.0 2.0
   43    42    45    46  -0.11250  1.0 3.0
   43    42    45    47  -0.11250  1.0 3.0
   43    42    45    48  -0.11250  1.0 3.0
   43    42    49    50   0.91850  1.0 1.0
   43    42    49    50   0.57950  1.0 3.0
   43    51    52    53   0.08050  1.0 3.0
   43    51    52    54  -0.25900  1.0 1.0
   43    51    52    54  -0.47000 -1.0 2.0
   43    51    52    54   0.11750  1.0 3.0
   43    51    52    70  -0.25900  1.0 1.0
   43    51    52    70  -0.47000 -1.0 2.0
   43    51    52    70   0.11750  1.0 3.0
   44    43    51    52   3.00000 -1.0 2.0
   51    52    54    55   0.23400  1.0 3.0
   51    52    54    56  -0.64350  1.0 1.0
   51    52    54    56  -0.04200 -1.0 2.0
   51    52    54    56   0.19800  1.0 3.0
   51    52    54    57   1.11900  1.0 1.0
   51    52    54    57  -1.16350 -1.0 2.0
   51    52    54    57  -0.34150  1.0 3.0
   51    52    70    63   1.11900  1.0 1.0
   51    52    70    63  -1.16350 -1.0 2.0
   51    52    70    63  -0.34150  1.0 3.0
   51    52    70    72   0.62750  1.0 1.0
   51    52    70    72  -0.30950 -1.0 2.0
   51    52    70    72   0.27300  1.0 3.0
   51    52    70    76   0.62750  1.0 1.0
   51    52    70    76  -0.30950 -1.0 2.0
   51    52    70    76   0.27300  1.0 3.0
   52    54    56    58   0.04150 -1.0 2.0
   52    54    56    80   0.04150 -1.0 2.0
   52    54    57    59  -0.25900  1.0 1.0
   52    54    57    59  -0.47000 -1.0 2.0
   52    54    57    59   0.11750  1.0 3.0
   52    70    72    73   0.15000  1.0 3.0
   52    70    72    74   0.15000  1.0 3.0
   52    70    72    75   0.15000  1.0 3.0
   52    70    76    77   0.15000  1.0 3.0
   52    70    76    78   0.15000  1.0 3.0
   52    70    76    79   0.15000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.43200  1.0 3.0
   53    52    54    57   0.23400  1.0 3.0
   53    52    70    63   0.23400  1.0 3.0
   53    52    70    72   0.15000  1.0 3.0
   53    52    70    76   0.15000  1.0 3.0
   54    52    70    63   0.62750  1.0 1.0
   54    52    70    63  -0.30950 -1.0 2.0
   54    52    70    63   0.27300  1.0 3.0
   54    52    70    72   0.56750  1.0 1.0
   54    52    70    72  -0.07550 -1.0 2.0
   54    52    70    72   0.20000  1.0 3.0
   54    52    70    76   0.56750  1.0 1.0
   54    52    70    76  -0.07550 -1.0 2.0
   54    52    70    76   0.20000  1.0 3.0
   54    56    58    61   3.62500 -1.0 2.0
   54    56   -58    63   3.62500 -1.0 2.0
   54    56    80    71   3.62500 -1.0 2.0
   54    56    80    81   3.62500 -1.0 2.0
   54    57    59    60   3.00000 -1.0 2.0
   54    57    59    64   1.63150  1.0 1.0
   54    57    59    64   2.92000 -1.0 2.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    80   0.00000  1.0 1.0
   55    54    57    59   0.08050  1.0 3.0
   56    54    57    59  -0.43900 -1.0 2.0
   56    54    57    59   0.14100  1.0 3.0
   56    58    61    62   3.62500 -1.0 2.0
   56    58    61    68   3.62500 -1.0 2.0
   56    58    63    70   1.63200 -1.0 2.0
   56    80    81    82   0.01300  1.0 1.0
   56    80    81    82   0.97950 -1.0 2.0
   56    80    81    82  -0.55700  1.0 3.0
   58    56    80    71   3.62500 -1.0 2.0
   58    56    80    81   3.62500 -1.0 2.0
   58    61    68    69   3.62500 -1.0 2.0
   58    61   -68    71   3.62500 -1.0 2.0
   58    63   -70    52  -0.32850  1.0 1.0
   58    63   -70    52  -0.35800 -1.0 2.0
   58    63   -70    52   0.33950  1.0 3.0
   58    63    70    72  -0.32850  1.0 1.0
   58    63    70    72  -0.35800 -1.0 2.0
   58    63    70    72   0.33950  1.0 3.0
   58    63    70    76  -0.32850  1.0 1.0
   58    63    70    76  -0.35800 -1.0 2.0
   58    63    70    76   0.33950  1.0 3.0
   61    58    63    70   1.63200 -1.0 2.0
   61    68    71    80   3.62500 -1.0 2.0
   61    68    71    86   3.62500 -1.0 2.0
   62    61    68    69   3.62500 -1.0 2.0
   62    61    68    71   3.62500 -1.0 2.0
   68    71   -80    56   3.62500 -1.0 2.0
   68    71    80    81   3.62500 -1.0 2.0
   68    71    86    84   0.15800  1.0 1.0
   68    71    86    84   1.85350 -1.0 2.0
   68    71    86    84  -0.48700  1.0 3.0
   68    71    86    87   0.56550  1.0 3.0
   69    68    71    80   3.62500 -1.0 2.0
   69    68    71    86   3.62500 -1.0 2.0
   71    80    81    82   0.01300  1.0 1.0
   71    80    81    82   0.97950 -1.0 2.0
   71    80    81    82  -0.55700  1.0 3.0
   80    56   -58    61   3.62500 -1.0 2.0
   80    56    58    63   3.62500 -1.0 2.0
   80    71    86    84   0.15800  1.0 1.0
   80    71    86    84   1.85350 -1.0 2.0
   80    71    86    84  -0.48700  1.0 3.0
   80    71    86    87   0.56550  1.0 3.0
   80    81    82    83   3.00000 -1.0 2.0
   80    81   -82    84   2.00000 -1.0 2.0
   81    82    84    85   1.63100 -1.0 2.0
   81    82    84    86  -0.56150  1.0 1.0
   81    82    84    86   2.19150 -1.0 2.0
   82    84   -86    71   7.00000 -1.0 2.0
   82    84    86    87   7.00000 -1.0 2.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   1.00000 -1.0 2.0
   85    84    86    71   7.00000 -1.0 2.0
   85    84    86    87   7.00000 -1.0 2.0
   86    71    80    56   3.62500 -1.0 2.0
   86    71   -80    81   3.62500 -1.0 2.0
   63    58    61    62   3.62500 -1.0 2.0
   63    58    61    68   3.62500 -1.0 2.0
   63    70    72    73   0.23400  1.0 3.0
   63    70    72    74   0.23400  1.0 3.0
   63    70    72    75   0.23400  1.0 3.0
   63    70    76    77   0.23400  1.0 3.0
   63    70    76    78   0.23400  1.0 3.0
   63    70    76    79   0.23400  1.0 3.0
   70    52    54    55   0.15000  1.0 3.0
   70    52   -54    56  -0.03700  1.0 1.0
   70    52   -54    56   0.37200 -1.0 2.0
   70    52   -54    56  -0.47300  1.0 3.0
   70    52    54    57   0.62750  1.0 1.0
   70    52    54    57  -0.30950 -1.0 2.0
   70    52    54    57   0.27300  1.0 3.0
   72    70    76    77   0.15000  1.0 3.0
   72    70    76    78   0.15000  1.0 3.0
   72    70    76    79   0.15000  1.0 3.0
   76    70    72    73   0.15000  1.0 3.0
   76    70    72    74   0.15000  1.0 3.0
   76    70    72    75   0.15000  1.0 3.0
   57    54    56    58   0.64500  1.0 1.0
   57    54    56    58   0.14800 -1.0 2.0
   57    54    56    58   0.20650  1.0 3.0
   57    54    56    80   0.64500  1.0 1.0
   57    54    56    80   0.14800 -1.0 2.0
   57    54    56    80   0.20650  1.0 3.0
   57    59    64    65   0.00000  1.0 1.0
   57    59    64    66   0.00000  1.0 1.0
   57    59    64    67   0.00000  1.0 1.0
   60    59    64    65   0.00000  1.0 1.0
   60    59    64    66   0.00000  1.0 1.0
   60    59    64    67   0.00000  1.0 1.0
   45    42    43    44   0.30150 -1.0 2.0
   45    42    43    51   0.36750  1.0 3.0
   45    42    49    50  -0.11600  1.0 1.0
   45    42    49    50  -0.09450 -1.0 2.0
   45    42    49    50   0.21250  1.0 3.0
   49    42    43    44   0.30150 -1.0 2.0
   49    42    43    51   0.30750  1.0 1.0
   49    42    43    51   1.13850 -1.0 2.0
   49    42    43    51   0.38850  1.0 3.0
   49    42    45    46   0.23400  1.0 3.0
   49    42    45    47   0.23400  1.0 3.0
   49    42    45    48   0.23400  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
   42    51    43    44  10.50000 -1.0 2.0
   58    80    56    54   4.00000 -1.0 2.0
   61    63    58    56   4.00000 -1.0 2.0
   68    62    61    58   1.10000 -1.0 2.0
   71    69    68    61   1.10000 -1.0 2.0
   80    86    71    68   4.00000 -1.0 2.0
   71    81    80    56   4.00000 -1.0 2.0
   81    84    82    83  10.50000 -1.0 2.0
   82    85    84    86   1.10000 -1.0 2.0
   71    87    86    84   1.10000 -1.0 2.0
   57    64    59    60  10.50000 -1.0 2.0
END
