* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    249     470
    1     0 S   NP   _N1_     1    28.56926    94.98351   -22.38548
    2     1 S   H    _HN1     2     1.02781    95.48693   -68.18914
    3     1 S   H    _H1_     3     1.02963    84.20354    39.71337
    4     1 S   H    _H2_     4     1.02839    31.69408   176.25461
    5     1 S   CT   _CA1     5     1.50103   141.12860   155.37590
    6     5 S   HC   _HA1     6     1.09576   105.27407    70.72876
    7     5 S   CO3  _C1_     7     1.53809   112.29413   -49.55196
    8     7 S   O2Z  _O11     8     1.26360   115.01945   -46.61088
    9     7 S   O2Z  _O12     9     1.26238   114.90015   132.60527
   10     5 S   CT   _CB1    10     1.53092   107.43852  -171.37270
   11    10 S   HC   HB11    11     1.09823   109.41423   -51.00980
   12    10 S   HC   HB12    12     1.09827   110.39012    65.54564
   13    10 S   CT   _CG1    13     1.53010   112.63433  -172.13179
   14    13 S   HC   HG11    14     1.09603   110.36634   -61.44330
   15    13 S   HC   HG12    15     1.09636   110.10202    57.79023
   16    13 S   C    _CD1    16     1.51792   112.22890   178.16091
   17    16 S   O    _OE1    17     1.22728   123.23590    -6.73147
   18    16 S   N    _N2_    18     1.38628   111.65999   173.42681
   19    18 S   H    _HN2    19     1.01590   119.04304     1.65871
   20    18 S   CT1  _CA2    20     1.46222   123.34136  -177.78530
   21    20 S   HC   _HA2    21     1.09733   109.34395   -13.09592
   22    20 S   C    _C2_    22     1.53386   108.38727  -128.86007
   23    22 S   O    _O2_    23     1.23012   122.23691  -145.60116
   24    20 S   CT   _CB2    32     1.53481   111.41764   108.87564
   25    24 S   HC   HB21    33     1.09597   109.80754    56.13126
   26    24 S   HC   HB22    34     1.09486   110.31879   175.13514
   27    22 S   N    _N3_    24     1.38507   113.35600    41.73776
   28    27 S   H    _HN3    25     1.01529   118.92548    -0.55778
   29    24 S   S    _SG2    35     1.82751   111.73399   -64.82993
   30    27 S   CT   _CA3    26     1.45452   123.43700   175.11846
   31    30 S   HC   HA31    27     1.09524   109.23023    24.52899
   32    30 S   HC   HA32    28     1.09496   107.12462   141.53235
   33    29 S   CT   _C18    36     1.82664    99.67180   167.15127
   34    33 S   HC   _H3_    37     1.09669   108.75671   -48.67493
   35    30 S   CO3  _C3_    29     1.52927   113.11642   -98.94237
   36    35 S   O2Z  _O31    30     1.26402   115.40468   -44.43784
   37    35 S   O2Z  _O32    31     1.26355   114.98205   136.49550
   38    33 S   CT   _C12    38     1.52588   109.07292    71.74280
   39    38 S   HC   _H31    39     1.09520   113.39566    39.40286
   40    38 S   HC   _H32    40     1.09329   111.93253   -86.65600
   41    38 S   CO4  _C6_    41     1.49903   102.46947   155.18284
   42    41 S   O    _O22    42     1.22643   122.72030   166.36515
   43    41 S   CT   _C19    43     1.53052   113.01752   -14.36754
   44    33 S   CT   _C16    44     1.55214   114.23831  -171.21857
   45    44 S   HC   _H36    45     1.09891   107.78088   -42.99272
   46    43 S   CT   _C17    61     1.54880   108.32010  -127.63755
   47    46 S   HC   _H37    62     1.09752   107.98598   -59.80138
   48    43 S   CT   _C23    81     1.53722   104.96930   111.40522
   49    48 S   HC   _H48    82     1.09053   113.42484   179.00633
   50    48 S   HC   _H49    83     1.09687   110.76428    58.97246
   51    48 S   HC   _H50    84     1.09606   111.42069   -59.47078
   52    44 S   CT   _C14    46     1.54372   114.11419    77.09872
   53    52 S   HC   _H34    47     1.09869   108.36449    45.03778
   54    46 S   OS   _O26    63     1.46298   106.91111    55.35211
   55    52 S   CO4  _C7_    48     1.52204   113.38948   162.06904
   56    55 S   O    _O23    49     1.23524   119.06718  -144.94728
   57    54 S   CO4  _C11    64     1.36065   118.12819  -144.63602
   58    57 S   O    _O24    65     1.21870   126.75099    -1.43231
   59    52 S   CT   _C22    77     1.53026   114.47113   -75.09795
   60    59 S   HC   _H45    78     1.09521   111.46054   -46.11746
   61    59 S   HC   _H46    79     1.09639   111.30862  -165.73211
   62    59 S   HC   _H47    80     1.09273   111.44049    75.59753
   63    55 S   CT   _C15    50     1.52901   119.12800    38.63571
   64    63 S   HC   _H35    51     1.09433   109.65651    46.75019
   65    57 S   CM   _C9_    66     1.48173   107.03309   178.02216
   66    65 S   HC   _H30    67     1.08780   115.08976   -20.88190
   67    63 S   CT   _C13    52     1.52192   117.20931   -83.09594
   68    67 S   HC   _H33    53     1.10257   105.37179   173.92924
   69    65 S   CM   _C10    68     1.34545   125.48717   160.24308
   70    67 S   CM   _C4_    54     1.49233    99.79248   -79.00677
   71    69 S   CT   _C20    69     1.50719   119.79826   177.42223
   72    71 S   HC   _H39    70     1.09498   110.32057   118.39132
   73    71 S   HC   _H40    71     1.09521   112.44612    -1.77498
   74    71 S   HC   _H41    72     1.09505   110.16306  -121.76926
   75    69 S   CT   _C21    73     1.50339   126.17396    -3.28265
   76    75 S   HC   _H42    74     1.09455   110.14880   105.28170
   77    75 S   HC   _H43    75     1.09167   113.52533   -16.74568
   78    75 S   HC   _H44    76     1.09583   110.12061  -135.49877
   79    70 S   CO4  _C5_    55     1.48356   106.65471   -30.30067
   80    79 S   O    _O21    56     1.21689   127.29231  -165.58905
   81    70 S   CM   _C8_    58     1.33478   131.52458   149.61781
   82    81 S   HC   _H28    59     1.08404   121.57130     0.38967
   83    81 S   HC   _H29    60     1.08552   121.43239  -179.86583
   84    63 S   OS   _O25    57     1.44759   105.67724   162.85502
  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   7   3   4   2   1   1   8   5
  10   3   8   4   8   6   7   3   2   1   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    67    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    63    67    68    70    46    47    54    57    59    48    49    50    51  
   45    52    53    55    56    63    67    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    67    68    70    79    81    84  
   54    57    48    63    67    68    70  
   49    50    51    52    54    67  
   50    51  
   51  
    0  
   53    55    56    63    64    67    84    59    60    61    62  
   55    56    63    59    60    61    62  
   57    58    65    66    69    63    67    68    70  
   56    63    64    67    68    70    79    84    59    60    61    62  
   63    64    67    84    59  
   58    65    66    69    71    75    67  
   65    66    69  
   60    61    62    63  
   61    62  
   62  
    0  
   64    67    68    70    79    80    84    81  
   67    68    70    79    84  
   66    69    71    72    73    74    75    76    77    78  
   69    71    75  
   68    70    79    80    84    81    82    83  
   70    79    84    81  
   71    72    73    74    75    76    77    78  
   79    80    84    81    82    83  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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    67   268.000  1.529
   63    84   320.000  1.410
   67    68   340.000  1.090
   67    70   317.000  1.510
   67    46   268.000  1.529
   70    79   320.000  1.462
   70    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    66   340.000  1.080
   65    69   549.000  1.340
   69    71   317.000  1.510
   69    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   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    67    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    67    63.00000  111.10000
   55    63    84    90.00000  108.74100
   63    55    56    80.00000  120.40000
   63    67    68    37.50000  110.70000
   63    67    70    70.00000  112.02700
   63    67    46    58.35000  112.70000
   63    84    79    83.00000  116.90000
   67    63    64    37.50000  110.70000
   67    70    79    65.00000  116.34900
   67    70    81    70.00000  124.00000
   67    46    47    37.50000  110.70000
   67    46    54    50.00000  109.50000
   70    67    68    35.00000  109.50000
   70    79    80    80.00000  123.72100
   70    79    84    90.00000  111.29400
   70    81    82    35.00000  120.00000
   70    81    83    35.00000  120.00000
   84    63    64    35.00000  109.50000
   84    63    67    50.00000  109.50000
   84    79    80    83.00000  123.40000
   81    70    79    65.00000  118.96000
   83    81    82    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    67    68    37.50000  110.70000
   46    67    70    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    66    40.00000  117.72500
   57    65    69    65.00000  118.96000
   65    57    58    80.00000  123.72100
   65    69    71    70.00000  124.00000
   65    69    75    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   69    75    76    35.00000  109.50000
   69    75    77    35.00000  109.50000
   69    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    69    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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    67  -0.95700  1.0 1.0
   41    43    46    67  -0.18200 -1.0 2.0
   41    43    46    67   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    67   0.56750  1.0 1.0
   44    43    46    67  -0.07550 -1.0 2.0
   44    43    46    67   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    67   0.60050  1.0 1.0
   52    55    63    67   0.05600 -1.0 2.0
   52    55    63    67   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    67    68  -0.11250  1.0 3.0
   55    63    67    70  -0.98800  1.0 1.0
   55    63    67    70   0.48800 -1.0 2.0
   55    63    67    70   0.76800  1.0 3.0
   55    63    67    46  -0.95700  1.0 1.0
   55    63    67    46  -0.18200 -1.0 2.0
   55    63    67    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    67   0.30150 -1.0 2.0
   56    55    63    84   0.30150 -1.0 2.0
   63    67   -70    79   0.09700  1.0 1.0
   63    67   -70    79   0.15600 -1.0 2.0
   63    67   -70    79  -0.50800  1.0 3.0
   63    67    70    81   0.09850  1.0 1.0
   63    67    70    81   0.15250 -1.0 2.0
   63    67    70    81  -0.50650  1.0 3.0
   63    67    46    43   0.56750  1.0 1.0
   63    67    46    43  -0.07550 -1.0 2.0
   63    67    46    43   0.20000  1.0 3.0
   63    67    46    47   0.15000  1.0 3.0
   63    67    46    54   0.62750  1.0 1.0
   63    67    46    54  -0.30950 -1.0 2.0
   63    67    46    54   0.27300  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   64    63    67    46   0.15000  1.0 3.0
   64    63    84    79   0.08050  1.0 3.0
   67    63   -84    79  -0.25900  1.0 1.0
   67    63   -84    79  -0.47000 -1.0 2.0
   67    63   -84    79   0.11750  1.0 3.0
   67    70    79    80  -0.64400  1.0 1.0
   67    70    79    80   0.26850 -1.0 2.0
   67    70   -79    84  -0.15000  1.0 1.0
   67    70   -79    84   0.89550 -1.0 2.0
   67    70   -79    84  -0.06900  1.0 3.0
   67    70    81    82   7.00000 -1.0 2.0
   67    70    81    83   7.00000 -1.0 2.0
   67    46    54    57  -0.25900  1.0 1.0
   67    46    54    57  -0.47000 -1.0 2.0
   67    46    54    57   0.11750  1.0 3.0
   68    67    70    79   0.15000  1.0 3.0
   68    67    70    81   0.00000  1.0 1.0
   68    67    46    43   0.15000  1.0 3.0
   68    67    46    47   0.15000  1.0 3.0
   68    67    46    54   0.23400  1.0 3.0
   70    67    46    43   0.34400  1.0 1.0
   70    67    46    43   0.09450 -1.0 2.0
   70    67    46    43   0.11100  1.0 3.0
   70    67    46    47   0.15000  1.0 3.0
   70    67    46    54   0.61850  1.0 1.0
   70    67    46    54  -0.22750 -1.0 2.0
   70    67    46    54   0.15300  1.0 3.0
   70    79   -84    63   2.00000 -1.0 2.0
   79    70    81    82   7.00000 -1.0 2.0
   79    70    81    83   7.00000 -1.0 2.0
   80    79    84    63   3.00000 -1.0 2.0
   84    63    67    68   0.23400  1.0 3.0
   84    63   -67    70   0.61850  1.0 1.0
   84    63   -67    70  -0.22750 -1.0 2.0
   84    63   -67    70   0.15300  1.0 3.0
   84    63    67    46   0.62750  1.0 1.0
   84    63    67    46  -0.30950 -1.0 2.0
   84    63    67    46   0.27300  1.0 3.0
   81    70    79    80   1.00000 -1.0 2.0
   81    70    79    84  -0.56150  1.0 1.0
   81    70    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    67    70    79   0.09700  1.0 1.0
   46    67    70    79   0.15600 -1.0 2.0
   46    67    70    79  -0.50800  1.0 3.0
   46    67    70    81   0.09850  1.0 1.0
   46    67    70    81   0.15250 -1.0 2.0
   46    67    70    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    66   1.63100 -1.0 2.0
   54    57    65    69  -0.56150  1.0 1.0
   54    57    65    69   2.19150 -1.0 2.0
   57    65    69    71   7.00000 -1.0 2.0
   57    65    69    75   7.00000 -1.0 2.0
   58    57    65    66   0.00000  1.0 1.0
   58    57    65    69   1.00000 -1.0 2.0
   65    69    71    72   0.00000  1.0 1.0
   65    69    71    73   0.00000  1.0 1.0
   65    69    71    74   0.00000  1.0 1.0
   65    69    75    76   0.00000  1.0 1.0
   65    69    75    77   0.00000  1.0 1.0
   65    69    75    78   0.00000  1.0 1.0
   66    65    69    71   7.00000 -1.0 2.0
   66    65    69    75   7.00000 -1.0 2.0
   71    69    75    76   0.34800  1.0 3.0
   71    69    75    77   0.34800  1.0 3.0
   71    69    75    78   0.34800  1.0 3.0
   75    69    71    72   0.34800  1.0 3.0
   75    69    71    73   0.34800  1.0 3.0
   75    69    71    74   0.34800  1.0 3.0
   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    67   0.56750  1.0 1.0
   48    43    46    67  -0.07550 -1.0 2.0
   48    43    46    67   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
   67    79    70    81   1.10000 -1.0 2.0
   70    84    79    80  10.50000 -1.0 2.0
   82    83    81    70   1.10000 -1.0 2.0
   54    65    57    58  10.50000 -1.0 2.0
   57    66    65    69  15.00000 -1.0 2.0
   71    75    69    65  15.00000 -1.0 2.0
END
