* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    156    247     471
    1     0 S   NP   _N1_     1    29.32744    92.06665   -22.82966
    2     1 S   H    _HN1     2     1.02773   102.36775   -78.94390
    3     1 S   H    _H1_     3     1.02964    97.25489    31.72619
    4     1 S   H    _H2_     4     1.02833    14.15845   166.23801
    5     1 S   CT   _CA1     5     1.50153   124.54531   152.57925
    6     5 S   HC   _HA1     6     1.09578   105.19842    62.61611
    7     5 S   CO3  _C1_     7     1.53777   112.43237   -57.46254
    8     7 S   O2Z  _O11     8     1.26352   114.99723   -41.38235
    9     7 S   O2Z  _O12     9     1.26248   114.92119   137.68581
   10     5 S   CT   _CB1    10     1.53072   107.37801  -179.54500
   11    10 S   HC   HB11    11     1.09822   109.18928   -50.95835
   12    10 S   HC   HB12    12     1.09842   110.44923    65.50682
   13    10 S   CT   _CG1    13     1.53049   112.79041  -172.17466
   14    13 S   HC   HG11    14     1.09592   110.29191   -64.62978
   15    13 S   HC   HG12    15     1.09633   110.18387    54.68253
   16    13 S   C    _CD1    16     1.51757   112.12268   174.77982
   17    16 S   O    _OE1    17     1.22769   123.12498    -8.79314
   18    16 S   N    _N2_    18     1.38709   111.86683   171.67518
   19    18 S   H    _HN2    19     1.01589   119.21937     0.92598
   20    18 S   CT1  _CA2    20     1.46070   122.98466  -178.26528
   21    20 S   HC   _HA2    21     1.09550   108.97620   -13.19745
   22    20 S   C    _C2_    22     1.53440   109.03520  -128.19776
   23    22 S   O    _O2_    23     1.23034   122.04006  -149.40096
   24    20 S   CT   _CB2    32     1.53673   112.09789   109.09474
   25    24 S   HC   HB21    33     1.09675   109.24369    68.02296
   26    24 S   HC   HB22    34     1.09525   110.76147  -175.25038
   27    22 S   N    _N3_    24     1.38455   113.50675    38.13185
   28    27 S   H    _HN3    25     1.01525   118.88963    -0.72470
   29    24 S   S    _SG2    35     1.83050   115.35420   -51.06249
   30    27 S   CT   _CA3    26     1.45456   123.53263   174.93388
   31    30 S   HC   HA31    27     1.09518   109.28546    22.85945
   32    30 S   HC   HA32    28     1.09495   107.09072   139.90126
   33    29 S   CT   _C7_    36     1.84337   101.09838   -67.95089
   34    33 S   HC   _H4_    37     1.09408   105.56894    33.81034
   35    30 S   CO3  _C3_    29     1.52940   113.17370  -100.63876
   36    35 S   O2Z  _O31    30     1.26400   115.46495   -41.93243
   37    35 S   O2Z  _O32    31     1.26364   114.93353   139.01036
   38    33 S   CT   _C8_    38     1.54494   112.36799   -82.60225
   39    38 S   HC   _H5_    39     1.10232   105.93411    63.40770
   40    33 S   CT   _C6_    54     1.54982   111.86839   147.61797
   41    40 S   HC   _H3_    55     1.09626   108.36274   -58.19784
   42    38 S   CT   _C9_    40     1.55125   110.99926   178.52236
   43    40 S   OS   _O34    56     1.44060   110.43445    62.21485
   44    38 S   CO4  _C20    80     1.52079   114.53104   -49.98473
   45    44 S   O    _O37    81     1.22898   122.89176   144.27608
   46    44 S   HC   _H27    82     1.09866   117.44947   -38.54517
   47    42 S   CT   _C10    41     1.58590   115.53761    50.62679
   48    43 S   CO4  _C5_    57     1.36450   118.87663  -102.45915
   49    48 S   O    _O33    58     1.22287   126.70559    -2.33959
   50    42 S   CO4  _C19    75     1.53312   110.60532   179.86294
   51    50 S   O    _O35    76     1.22858   123.78526   118.10058
   52    50 S   HC   _H25    77     1.10230   116.38981   -62.86225
   53    42 S   OH   _O36    78     1.44582   103.49698   -67.81810
   54    53 S   HO   _H26    79     0.97291   108.96656  -147.80471
   55    47 S   CT   _C15    42     1.57603   109.40278  -169.78454
   56    55 S   HC   _H14    43     1.09375   112.44842    11.67005
   57    55 S   HC   _H15    44     1.09869   109.53055  -103.34334
   58    48 S   CT   _C4_    59     1.49842   109.28070   178.06144
   59    58 S   HC   _H7_    60     1.09286   109.81086   -61.34802
   60    58 S   HC   _H8_    61     1.09372   109.36410   179.59846
   61    58 S   HC   _H9_    62     1.09290   109.82937    60.54035
   62    47 S   CT   _C18    71     1.55031   110.95482    73.56523
   63    62 S   HC   _H22    72     1.08720   113.86125   -59.99327
   64    62 S   HC   _H23    73     1.09210   111.94038   178.31739
   65    62 S   HC   _H24    74     1.09566   111.38820    60.42123
   66    55 S   CT   _C14    45     1.52568   115.46837   134.60401
   67    66 S   HC   _H12    46     1.09646   109.05782   161.90053
   68    66 S   HC   _H13    47     1.09632   109.94963   -81.93700
   69    66 S   CT   _C13    48     1.51633   111.30064    40.67586
   70    69 S   HC   _H10    49     1.09709   108.59325    56.97470
   71    69 S   HC   _H11    50     1.09751   109.21979   171.38860
   72    69 S   CT   _C12    51     1.54988   112.26619   -65.79030
   73    47 S   CT   _C11    52     1.58511   108.52736   -50.08497
   74    73 S   HC   _H6_    53     1.10251   103.45446   -58.77665
   75    72 S   CT   _C16    63     1.55490   107.76624   -89.45908
   76    75 S   HC   _H16    64     1.09497   111.67561  -178.49260
   77    75 S   HC   _H17    65     1.09545   111.57972    60.90946
   78    75 S   HC   _H18    66     1.09646   111.18826   -58.87793
   79    72 S   CT   _C17    67     1.53971   107.63446   156.59505
   80    79 S   HC   _H19    68     1.09336   111.73274   164.98848
   81    79 S   HC   _H20    69     1.09720   110.72181    46.95740
   82    79 S   HC   _H21    70     1.09225   112.44070   -72.63586
  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
  17   8   2   1   1  17   8  16   6  20  10   5   1   1  21   6
   4   7   2   1   4   1  15   7   6   3   2   1   1   7   3   2
   1   9   5   4  13   5   4  10   9   2   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    73    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    72    73    74    40    41    43    48    50    53    44    45    46  
   38    39    42    73    40    41    43    44  
   36    37  
   37  
    0  
   39    42    47    55    73    40    41    43    62    50    51    52    53    54    44    45    46  
   42    47    40    50    53    44    45    46  
   41    43    48    49    58    75    79    62    44    42    47    55    69    72    73    74  
   43    48    47    72    73    74  
   47    55    56    57    66    72    73    74    62    63    64    65    50    51    52    53    54    44    45    46  
   48    49    58    59    60    61    47    72    73    74  
   45    46    47    50    53  
   46  
    0  
   55    56    57    66    67    68    69    72    73    74    75    79    62    63    64    65    50    51    52    53    54  
   49    58    59    60    61    73  
   58    59    60    61  
   51    52    53    54    55    62    73  
   52    53  
   53  
   54    55    62    73  
    0  
   56    57    66    67    68    69    70    71    72    73    74    62    63    64    65  
   57    66    67    68    69    73    62  
   66    67    68    69    73    62  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    72    73    74  
   64    65    73  
   65    73  
   73  
   67    68    69    70    71    72    73    75    79  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78    79    80    81    82  
   71    72    73    75    79  
   72    73    75    79  
   73    74    75    76    77    78    79    80    81    82  
   74    75    76    77    78    79    80    81    82  
   75    79  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    44   317.000  1.522
   42    47   268.000  1.529
   42    50   317.000  1.522
   42    53   320.000  1.410
   47    55   268.000  1.529
   47    73   268.000  1.529
   47    62   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    48   214.000  1.327
   48    49   570.000  1.229
   48    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   50    51   570.000  1.229
   50    52   340.000  1.090
   53    54   553.000  0.945
   44    45   570.000  1.229
   44    46   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    44    63.00000  111.10000
   33    40    73    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    42    50    63.00000  111.10000
   38    42    53    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    46    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    47    55    58.35000  112.70000
   42    47    73    58.35000  112.70000
   42    47    62    58.35000  112.70000
   42    50    51    80.00000  120.40000
   42    50    52    35.00000  115.00000
   42    53    54    55.00000  108.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    66    58.35000  112.70000
   47    73    72    58.35000  112.70000
   47    73    74    37.50000  110.70000
   47    73    40    58.35000  112.70000
   47    62    63    37.50000  110.70000
   47    62    64    37.50000  110.70000
   47    62    65    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    75    58.35000  112.70000
   69    72    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    40    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    47    55    58.35000  112.70000
   73    40    41    37.50000  110.70000
   73    40    43    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    43    48    83.00000  116.90000
   43    40    41    35.00000  109.50000
   43    48    49    83.00000  123.40000
   43    48    58    81.00000  111.40000
   48    58    59    35.00000  109.50000
   48    58    60    35.00000  109.50000
   48    58    61    35.00000  109.50000
   58    48    49    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    47    55    58.35000  112.70000
   62    47    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   50    42    47    63.00000  111.10000
   52    50    51    35.00000  123.00000
   53    42    47    50.00000  109.50000
   53    42    50    90.00000  109.61100
   44    38    39    35.00000  109.50000
   44    38    42    63.00000  111.10000
   46    44    45    35.00000  123.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38    42    50  -0.95700  1.0 1.0
   33    38    42    50  -0.18200 -1.0 2.0
   33    38    42    50   0.29450  1.0 3.0
   33    38    42    53   0.86500  1.0 1.0
   33    38    42    53  -0.17500 -1.0 2.0
   33    38    42    53   0.20800  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    46   0.74550  1.0 1.0
   33    38    44    46  -0.00500 -1.0 2.0
   33    40    43    48  -0.25900  1.0 1.0
   33    40    43    48  -0.47000 -1.0 2.0
   33    40    43    48   0.11750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.62750  1.0 1.0
   38    33    40    43  -0.30950 -1.0 2.0
   38    33    40    43   0.27300  1.0 3.0
   38    42    47    55   0.56750  1.0 1.0
   38    42    47    55  -0.07550 -1.0 2.0
   38    42    47    55   0.20000  1.0 3.0
   38    42   -47    73   0.56750  1.0 1.0
   38    42   -47    73  -0.07550 -1.0 2.0
   38    42   -47    73   0.20000  1.0 3.0
   38    42    47    62   0.56750  1.0 1.0
   38    42    47    62  -0.07550 -1.0 2.0
   38    42    47    62   0.20000  1.0 3.0
   38    42    50    51   0.30150 -1.0 2.0
   38    42    50    52   0.74550  1.0 1.0
   38    42    50    52  -0.00500 -1.0 2.0
   38    42    53    54  -0.11600  1.0 1.0
   38    42    53    54  -0.09450 -1.0 2.0
   38    42    53    54   0.21250  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    50  -0.11250  1.0 3.0
   39    38    42    53   0.23400  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    46   0.00000  1.0 1.0
   42    38    44    45   0.30150 -1.0 2.0
   42    38    44    46   0.74550  1.0 1.0
   42    38    44    46  -0.00500 -1.0 2.0
   42    47    55    56   0.15000  1.0 3.0
   42    47    55    57   0.15000  1.0 3.0
   42    47    55    66   0.56750  1.0 1.0
   42    47    55    66  -0.07550 -1.0 2.0
   42    47    55    66   0.20000  1.0 3.0
   42    47    73    72   0.56750  1.0 1.0
   42    47    73    72  -0.07550 -1.0 2.0
   42    47    73    72   0.20000  1.0 3.0
   42    47    73    74   0.15000  1.0 3.0
   42    47    73    40   0.56750  1.0 1.0
   42    47    73    40  -0.07550 -1.0 2.0
   42    47    73    40   0.20000  1.0 3.0
   42    47    62    63   0.15000  1.0 3.0
   42    47    62    64   0.15000  1.0 3.0
   42    47    62    65   0.15000  1.0 3.0
   47    42    50    51   0.30150 -1.0 2.0
   47    42    50    52   0.74550  1.0 1.0
   47    42    50    52  -0.00500 -1.0 2.0
   47    42    53    54  -0.11600  1.0 1.0
   47    42    53    54  -0.09450 -1.0 2.0
   47    42    53    54   0.21250  1.0 3.0
   47    55    66    67   0.15000  1.0 3.0
   47    55    66    68   0.15000  1.0 3.0
   47    55    66    69   0.56750  1.0 1.0
   47    55    66    69  -0.07550 -1.0 2.0
   47    55    66    69   0.20000  1.0 3.0
   47    73   -40    33   0.56750  1.0 1.0
   47    73   -40    33  -0.07550 -1.0 2.0
   47    73   -40    33   0.20000  1.0 3.0
   47    73    40    41   0.15000  1.0 3.0
   47    73    40    43   0.62750  1.0 1.0
   47    73    40    43  -0.30950 -1.0 2.0
   47    73    40    43   0.27300  1.0 3.0
   55    47    73    72   0.56750  1.0 1.0
   55    47    73    72  -0.07550 -1.0 2.0
   55    47    73    72   0.20000  1.0 3.0
   55    47    73    74   0.15000  1.0 3.0
   55    47    73    40   0.56750  1.0 1.0
   55    47    73    40  -0.07550 -1.0 2.0
   55    47    73    40   0.20000  1.0 3.0
   55    47    62    63   0.15000  1.0 3.0
   55    47    62    64   0.15000  1.0 3.0
   55    47    62    65   0.15000  1.0 3.0
   55    66    69    70   0.15000  1.0 3.0
   55    66    69    71   0.15000  1.0 3.0
   55    66   -69    72   0.56750  1.0 1.0
   55    66   -69    72  -0.07550 -1.0 2.0
   55    66   -69    72   0.20000  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    69   0.15000  1.0 3.0
   57    55    66    67   0.15000  1.0 3.0
   57    55    66    68   0.15000  1.0 3.0
   57    55    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   66    69    72    79   0.56750  1.0 1.0
   66    69    72    79  -0.07550 -1.0 2.0
   66    69    72    79   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -73    47   0.56750  1.0 1.0
   69    72   -73    47  -0.07550 -1.0 2.0
   69    72   -73    47   0.20000  1.0 3.0
   69    72    73    74   0.15000  1.0 3.0
   69    72    73    40   0.56750  1.0 1.0
   69    72    73    40  -0.07550 -1.0 2.0
   69    72    73    40   0.20000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.15000  1.0 3.0
   69    72    79    80   0.15000  1.0 3.0
   69    72    79    81   0.15000  1.0 3.0
   69    72    79    82   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    72    79   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   71    69    72    79   0.15000  1.0 3.0
   72    73    40    33   0.56750  1.0 1.0
   72    73    40    33  -0.07550 -1.0 2.0
   72    73    40    33   0.20000  1.0 3.0
   72    73    40    41   0.15000  1.0 3.0
   72    73    40    43   0.62750  1.0 1.0
   72    73    40    43  -0.30950 -1.0 2.0
   72    73    40    43   0.27300  1.0 3.0
   73    47    55    56   0.15000  1.0 3.0
   73    47    55    57   0.15000  1.0 3.0
   73    47   -55    66   0.56750  1.0 1.0
   73    47   -55    66  -0.07550 -1.0 2.0
   73    47   -55    66   0.20000  1.0 3.0
   73    47    62    63   0.15000  1.0 3.0
   73    47    62    64   0.15000  1.0 3.0
   73    47    62    65   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    40    43    48  -0.25900  1.0 1.0
   73    40    43    48  -0.47000 -1.0 2.0
   73    40    43    48   0.11750  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    43   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    43    48    49   3.00000 -1.0 2.0
   40    43    48    58   1.63150  1.0 1.0
   40    43    48    58   2.92000 -1.0 2.0
   41    40    43    48   0.08050  1.0 3.0
   43    48    58    59   0.00000  1.0 1.0
   43    48    58    60   0.00000  1.0 1.0
   43    48    58    61   0.00000  1.0 1.0
   49    48    58    59   0.00000  1.0 1.0
   49    48    58    60   0.00000  1.0 1.0
   49    48    58    61   0.00000  1.0 1.0
   75    72    73    47   0.56750  1.0 1.0
   75    72    73    47  -0.07550 -1.0 2.0
   75    72    73    47   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    40   0.56750  1.0 1.0
   75    72    73    40  -0.07550 -1.0 2.0
   75    72    73    40   0.20000  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    47   0.56750  1.0 1.0
   79    72    73    47  -0.07550 -1.0 2.0
   79    72    73    47   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    40   0.56750  1.0 1.0
   79    72    73    40  -0.07550 -1.0 2.0
   79    72    73    40   0.20000  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   62    47    55    56   0.15000  1.0 3.0
   62    47    55    57   0.15000  1.0 3.0
   62    47    55    66   0.56750  1.0 1.0
   62    47    55    66  -0.07550 -1.0 2.0
   62    47    55    66   0.20000  1.0 3.0
   62    47    73    72   0.56750  1.0 1.0
   62    47    73    72  -0.07550 -1.0 2.0
   62    47    73    72   0.20000  1.0 3.0
   62    47    73    74   0.15000  1.0 3.0
   62    47    73    40   0.56750  1.0 1.0
   62    47    73    40  -0.07550 -1.0 2.0
   62    47    73    40   0.20000  1.0 3.0
   50    42    47    55  -0.95700  1.0 1.0
   50    42    47    55  -0.18200 -1.0 2.0
   50    42    47    55   0.29450  1.0 3.0
   50    42    47    73  -0.95700  1.0 1.0
   50    42    47    73  -0.18200 -1.0 2.0
   50    42    47    73   0.29450  1.0 3.0
   50    42    47    62  -0.95700  1.0 1.0
   50    42    47    62  -0.18200 -1.0 2.0
   50    42    47    62   0.29450  1.0 3.0
   50    42    53    54   0.91850  1.0 1.0
   50    42    53    54   0.57950  1.0 3.0
   53    42    47    55   0.86500  1.0 1.0
   53    42    47    55  -0.17500 -1.0 2.0
   53    42    47    55   0.20800  1.0 3.0
   53    42    47    73   0.86500  1.0 1.0
   53    42    47    73  -0.17500 -1.0 2.0
   53    42    47    73   0.20800  1.0 3.0
   53    42    47    62   0.86500  1.0 1.0
   53    42    47    62  -0.17500 -1.0 2.0
   53    42    47    62   0.20800  1.0 3.0
   53    42    50    51   0.30150 -1.0 2.0
   53    42    50    52   0.00000  1.0 1.0
   44    38    42    47  -0.95700  1.0 1.0
   44    38    42    47  -0.18200 -1.0 2.0
   44    38    42    47   0.29450  1.0 3.0
   44    38    42    50   0.11950  1.0 1.0
   44    38    42    50   0.20300 -1.0 2.0
   44    38    42    50  -0.70800  1.0 3.0
   44    38    42    53  -0.09450  1.0 1.0
   44    38    42    53  -1.12950 -1.0 2.0
   44    38    42    53   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
   43    58    48    49  10.50000 -1.0 2.0
   42    52    50    51  10.50000 -1.0 2.0
   38    46    44    45  10.50000 -1.0 2.0
END
