* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    145    226     433
    1     0 S   NP   _N1_     1    31.99720   100.98869   -22.89254
    2     1 S   H    _HN1     2     1.03432    91.83093   -61.97410
    3     1 S   H    _H1_     3     1.02757    20.45097   153.20682
    4     1 S   H    _H2_     4     1.02859   125.77918  -174.48847
    5     1 S   CT   _CA1     5     1.50253   108.89536    50.68316
    6     5 S   HC   _HA1     6     1.09426   104.03034  -153.35757
    7     5 S   CO3  _C1_     7     1.54228   111.27888    90.89891
    8     7 S   O2Z  _O11     8     1.26085   116.64138  -103.68907
    9     7 S   O2Z  _O12     9     1.26505   114.02397    75.29999
   10     5 S   CT   _CB1    10     1.53430   107.03331   -36.99871
   11    10 S   HC   HB11    11     1.09785   109.92533   -44.17086
   12    10 S   HC   HB12    12     1.09745   109.47438    72.26852
   13    10 S   CT   _CG1    13     1.53094   113.64706  -166.36595
   14    13 S   HC   HG11    14     1.09667   109.46129  -163.82942
   15    13 S   HC   HG12    15     1.09174   111.58173   -45.98742
   16    13 S   C    _CD1    16     1.51519   111.52003    78.03566
   17    16 S   O    _OE1    17     1.22882   121.60221    84.05029
   18    16 S   N    _N2_    18     1.38283   113.37619   -93.73511
   19    18 S   H    _HN2    19     1.01544   118.99012     0.64102
   20    18 S   CT1  _CA2    20     1.46171   123.46986   176.05161
   21    20 S   HC   _HA2    21     1.09735   109.47101    14.91861
   22    20 S   C    _C2_    22     1.53602   107.95779  -100.89966
   23    22 S   O    _O2_    23     1.23066   122.39232  -132.71670
   24    20 S   CT   _CB2    32     1.53318   111.55653   137.22432
   25    24 S   HC   HB21    33     1.09476   110.37164    56.98083
   26    24 S   HC   HB22    34     1.09563   110.07438   174.65430
   27    22 S   N    _N3_    24     1.38523   113.83885    53.17238
   28    27 S   H    _HN3    25     1.01560   119.77527    -0.56371
   29    24 S   S    _SG2    35     1.82874   112.03904   -67.04123
   30    27 S   CT   _CA3    26     1.45405   122.55167   177.50849
   31    30 S   HC   HA31    27     1.09566   107.03325   -71.14027
   32    30 S   HC   HA32    28     1.09562   108.38202    45.10846
   33    29 S   CT   _C11    36     1.84267   100.30968   126.55923
   34    33 S   HC   _H3_    37     1.09732   107.57818    37.63563
   35    30 S   CO3  _C3_    29     1.52841   114.54122   166.95630
   36    35 S   O2Z  _O31    30     1.26396   116.12069   -18.56440
   37    35 S   O2Z  _O32    31     1.26373   114.57791   162.21431
   38    33 S   CA   _C7_    38     1.51987   110.69322   -81.82447
   39    33 S   CT   _C12    54     1.53733   108.15425   152.71074
   40    39 S   HC   _H13    55     1.09705   112.32991    59.91120
   41    39 S   HC   _H14    56     1.09768   111.16425   -58.77800
   42    38 S   CA   _C8_    39     1.40299   119.50124   106.02123
   43    42 S   HA   _H10    40     1.08742   120.50233     0.42887
   44    39 S   CO4  _C13    57     1.51157   110.92294  -177.29673
   45    44 S   O    _O35    58     1.22360   123.68775    65.19111
   46    42 S   CA   _C9_    41     1.39339   120.69244  -179.21341
   47    46 S   HA   _H11    42     1.08645   119.51170   179.27936
   48    44 S   OS   _O36    59     1.36171   109.63083  -113.51007
   49    46 S   CA   _C10    43     1.39351   119.65490    -0.71982
   50    48 S   CT   _C14    60     1.45055   118.40191   175.51677
   51    50 S   HC   _H15    61     1.09751   109.54778    21.86179
   52    49 S   CA   _C5_    44     1.39771   121.11092    -0.40974
   53    49 S   OH   _O34    52     1.36973   119.71273   178.75557
   54    53 S   HO   _H12    53     0.97449   108.30977   -19.54200
   55    50 S   CT   _C15    62     1.53252   106.89811   140.78435
   56    55 S   HC   _H4_    63     1.09695   109.86991    47.06552
   57    38 S   CA   _C6_    45     1.40821   121.81711   -73.75601
   58    57 S   HA   _H9_    46     1.08563   118.50584     0.73489
   59    52 S   OS   _O33    47     1.37030   116.16068  -179.54243
   60    55 S   CT   _C16    64     1.53048   112.20498   170.41062
   61    60 S   HC   _H16    65     1.09867   109.53927    69.16680
   62    60 S   HC   _H17    66     1.09835   108.03302  -176.31347
   63    55 S   OH   _O41    80     1.42914   108.51179   -69.32250
   64    63 S   HO   _H22    81     0.97248   107.43779   179.15142
   65    59 S   CT   _C4_    48     1.42228   117.01250   172.87145
   66    65 S   HC   _H6_    49     1.09426   107.74343  -175.08845
   67    65 S   HC   _H7_    50     1.09482   110.97124    67.29581
   68    65 S   HC   _H8_    51     1.09536   111.31846   -57.25950
   69    60 S   CT   _C17    67     1.53149   112.17534   -53.87051
   70    69 S   CT   _C18    68     1.52762   110.60336    54.40477
   71    70 S   HC   _H18    69     1.09816   110.18367  -176.03998
   72    70 S   HC   _H19    70     1.09829   110.89992    67.29181
   73    69 S   CO3  _C20    75     1.55045   107.22299   179.53396
   74    73 S   O2Z  _O39    76     1.26232   116.31142  -107.23784
   75    73 S   O2Z  _O38    77     1.26682   114.57384    72.59792
   76    69 S   OH   _O40    78     1.43391   108.85994   -64.33401
   77    76 S   HO   _H21    79     0.97484   106.97759   -72.09544
   78    50 S   CT   _C19    71     1.53375   108.00384   -99.09128
   79    78 S   HC   _H5_    72     1.09666   109.81639   -46.70414
   80    78 S   OH   _O37    73     1.42771   108.96078    70.03172
   81    80 S   HO   _H20    74     0.97266   107.37707  -175.73382
  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   9   5   4   3
  14   7   2   1   1  13   8   4   3   8   4   6   2   7   3  10
   7  16   8   9   3   1  13   7   3   1   4  14   6   5   3   1
   3   2   1   1  11  11   6   5   5   2   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    57    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    52    57    58    39    40    41    44    45    48  
   38    42    57    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    49    52    57    58    59    39    40    41    44  
   40    41    44    45    48    50    42    57  
   41    44    45    48  
   44    45    48  
   43    46    47    49    52    57    58    53  
   46    47    49    57  
   45    48    50    51    55    78  
   48    50  
   47    49    52    57    59    53    54  
   49    52    53  
   50    51    55    56    60    70    78    79    80    63  
   52    57    58    59    65    53    54  
   51    55    56    60    61    62    69    70    71    72    78    79    80    81    63    64  
   55    56    60    70    78    79    80    63  
   57    58    59    65    66    67    68    53    54  
   54    57    59  
    0  
   56    60    61    62    69    70    78    79    80    73    76    63    64  
   60    61    62    69    78    63    64  
   58    59    65  
   59  
   65    66    67    68  
   61    62    69    70    71    72    78    73    74    75    76    77    63    64  
   62    69    70    73    76    63  
   69    70    73    76    63  
   64    69    78  
    0  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    78    79    80    73    74    75    76    77  
   71    72    78    79    80    81    73    74    75    76    77  
   72    78    79    80    73    76  
   78    79    80    73    76  
   74    75    76    77    78  
   75    76  
   76  
   77    78  
    0  
   79    80    81  
   80    81  
   81  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.165000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   81   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    57   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    49   469.000  1.400
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    57   469.000  1.400
   52    59   450.000  1.364
   57    58   367.000  1.080
   59    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   214.000  1.327
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    78   268.000  1.529
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    63   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    69   268.000  1.529
   69    70   268.000  1.529
   69    73   317.000  1.522
   69    76   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    80   320.000  1.410
   80    81   553.000  0.945
   73    74   656.000  1.250
   73    75   656.000  1.250
   76    77   553.000  0.945
   63    64   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    57    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    57    52    63.00000  120.00000
   38    57    58    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    49    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    70.00000  120.00000
   49    46    47    35.00000  120.00000
   49    52    57    63.00000  120.00000
   49    52    59    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    57    58    35.00000  120.00000
   52    59    65    75.00000  111.00000
   57    38    42    63.00000  120.00000
   59    52    57    70.00000  120.00000
   59    65    66    35.00000  109.50000
   59    65    67    35.00000  109.50000
   59    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    81.00000  111.40000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    50    83.00000  116.90000
   48    44    45    83.00000  123.40000
   48    50    51    35.00000  109.50000
   48    50    55    50.00000  109.50000
   48    50    78    50.00000  109.50000
   50    55    56    37.50000  110.70000
   50    55    60    58.35000  112.70000
   50    55    63    50.00000  109.50000
   50    78    70    58.35000  112.70000
   50    78    79    37.50000  110.70000
   50    78    80    50.00000  109.50000
   55    50    51    37.50000  110.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    69    58.35000  112.70000
   55    63    64    55.00000  108.50000
   60    55    56    37.50000  110.70000
   60    69    70    58.35000  112.70000
   60    69    73    70.00000  109.69300
   60    69    76    50.00000  109.50000
   62    60    61    33.00000  107.80000
   69    60    61    37.50000  110.70000
   69    60    62    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    78    58.35000  112.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   69    76    77    55.00000  108.50000
   70    78    79    37.50000  110.70000
   70    78    80    50.00000  109.50000
   72    70    71    33.00000  107.80000
   78    50    51    37.50000  110.70000
   78    50    55    58.35000  112.70000
   78    70    71    37.50000  110.70000
   78    70    72    37.50000  110.70000
   78    80    81    55.00000  108.50000
   80    78    79    35.00000  109.50000
   73    69    70    70.00000  109.69300
   75    73    74    80.00000  126.00000
   76    69    70    50.00000  109.50000
   76    69    73    95.00000  109.52300
   63    55    56    35.00000  109.50000
   63    55    60    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    57  -0.16000  1.0 1.0
   29    33    38    57  -0.03200 -1.0 2.0
   29    33    38    57   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    57    52   3.62500 -1.0 2.0
   33    38    57    58   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.36750  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    49   3.62500 -1.0 2.0
   42    38    57    52   3.62500 -1.0 2.0
   42    38    57    58   3.62500 -1.0 2.0
   42    46   -49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   46    49    52    57   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   0.84100 -1.0 2.0
   47    46    49    52   3.62500 -1.0 2.0
   47    46    49    53   3.62500 -1.0 2.0
   49    52   -57    38   3.62500 -1.0 2.0
   49    52    57    58   3.62500 -1.0 2.0
   49    52    59    65   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    59    65    66   0.08050  1.0 3.0
   52    59    65    67   0.08050  1.0 3.0
   52    59    65    68   0.08050  1.0 3.0
   57    38    42    43   3.62500 -1.0 2.0
   57    38   -42    46   3.62500 -1.0 2.0
   57    52    59    65   1.63200 -1.0 2.0
   59    52    57    38   3.62500 -1.0 2.0
   59    52    57    58   3.62500 -1.0 2.0
   53    49    52    57   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    57   0.04150 -1.0 2.0
   39    44    48    50   1.63150  1.0 1.0
   39    44    48    50   2.92000 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    50    51   0.08050  1.0 3.0
   44    48    50    55  -0.25900  1.0 1.0
   44    48    50    55  -0.47000 -1.0 2.0
   44    48    50    55   0.11750  1.0 3.0
   44    48    50    78  -0.25900  1.0 1.0
   44    48    50    78  -0.47000 -1.0 2.0
   44    48    50    78   0.11750  1.0 3.0
   45    44    48    50   3.00000 -1.0 2.0
   48    50    55    56   0.23400  1.0 3.0
   48    50    55    60   0.62750  1.0 1.0
   48    50    55    60  -0.30950 -1.0 2.0
   48    50    55    60   0.27300  1.0 3.0
   48    50    55    63   3.69350  1.0 1.0
   48    50    55    63  -1.82950 -1.0 2.0
   48    50    78    70   0.62750  1.0 1.0
   48    50    78    70  -0.30950 -1.0 2.0
   48    50    78    70   0.27300  1.0 3.0
   48    50    78    79   0.23400  1.0 3.0
   48    50    78    80   3.69350  1.0 1.0
   48    50    78    80  -1.82950 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    69   0.56750  1.0 1.0
   50    55    60    69  -0.07550 -1.0 2.0
   50    55    60    69   0.20000  1.0 3.0
   50    55    63    64  -0.11600  1.0 1.0
   50    55    63    64  -0.09450 -1.0 2.0
   50    55    63    64   0.21250  1.0 3.0
   50    78    80    81  -0.11600  1.0 1.0
   50    78    80    81  -0.09450 -1.0 2.0
   50    78    80    81   0.21250  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   51    50    55    63   0.23400  1.0 3.0
   51    50    78    70   0.15000  1.0 3.0
   51    50    78    79   0.15000  1.0 3.0
   51    50    78    80   0.23400  1.0 3.0
   55    50    78    70   0.56750  1.0 1.0
   55    50    78    70  -0.07550 -1.0 2.0
   55    50    78    70   0.20000  1.0 3.0
   55    50    78    79   0.15000  1.0 3.0
   55    50    78    80   0.86500  1.0 1.0
   55    50    78    80  -0.17500 -1.0 2.0
   55    50    78    80   0.20800  1.0 3.0
   55    60   -69    70   0.56750  1.0 1.0
   55    60   -69    70  -0.07550 -1.0 2.0
   55    60   -69    70   0.20000  1.0 3.0
   55    60    69    73  -1.63150  1.0 1.0
   55    60    69    73  -0.43550 -1.0 2.0
   55    60    69    73   0.24500  1.0 3.0
   55    60    69    76   0.86500  1.0 1.0
   55    60    69    76  -0.17500 -1.0 2.0
   55    60    69    76   0.20800  1.0 3.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    69   0.15000  1.0 3.0
   56    55    63    64   0.19450  1.0 3.0
   60    55    63    64  -0.11600  1.0 1.0
   60    55    63    64  -0.09450 -1.0 2.0
   60    55    63    64   0.21250  1.0 3.0
   60    69    70    71   0.15000  1.0 3.0
   60    69    70    72   0.15000  1.0 3.0
   60    69    70    78   0.56750  1.0 1.0
   60    69    70    78  -0.07550 -1.0 2.0
   60    69    70    78   0.20000  1.0 3.0
   60    69    73    74   0.41150 -1.0 2.0
   60    69    73    75   0.41150 -1.0 2.0
   60    69    76    77  -0.11600  1.0 1.0
   60    69    76    77  -0.09450 -1.0 2.0
   60    69    76    77   0.21250  1.0 3.0
   61    60    69    70   0.15000  1.0 3.0
   61    60    69    73  -0.11250  1.0 3.0
   61    60    69    76   0.23400  1.0 3.0
   62    60    69    70   0.15000  1.0 3.0
   62    60    69    73  -0.11250  1.0 3.0
   62    60    69    76   0.23400  1.0 3.0
   69    70   -78    50   0.56750  1.0 1.0
   69    70   -78    50  -0.07550 -1.0 2.0
   69    70   -78    50   0.20000  1.0 3.0
   69    70    78    79   0.15000  1.0 3.0
   69    70    78    80   0.86500  1.0 1.0
   69    70    78    80  -0.17500 -1.0 2.0
   69    70    78    80   0.20800  1.0 3.0
   70    69    73    74   0.41150 -1.0 2.0
   70    69    73    75   0.41150 -1.0 2.0
   70    69    76    77  -0.11600  1.0 1.0
   70    69    76    77  -0.09450 -1.0 2.0
   70    69    76    77   0.21250  1.0 3.0
   70    78    80    81  -0.11600  1.0 1.0
   70    78    80    81  -0.09450 -1.0 2.0
   70    78    80    81   0.21250  1.0 3.0
   71    70    78    50   0.15000  1.0 3.0
   71    70    78    79   0.15000  1.0 3.0
   71    70    78    80   0.23400  1.0 3.0
   72    70    78    50   0.15000  1.0 3.0
   72    70    78    79   0.15000  1.0 3.0
   72    70    78    80   0.23400  1.0 3.0
   78    50    55    56   0.15000  1.0 3.0
   78    50   -55    60   0.56750  1.0 1.0
   78    50   -55    60  -0.07550 -1.0 2.0
   78    50   -55    60   0.20000  1.0 3.0
   78    50    55    63   0.86500  1.0 1.0
   78    50    55    63  -0.17500 -1.0 2.0
   78    50    55    63   0.20800  1.0 3.0
   79    78    80    81   0.19450  1.0 3.0
   73    69    70    71  -0.11250  1.0 3.0
   73    69    70    72  -0.11250  1.0 3.0
   73    69    70    78  -1.63150  1.0 1.0
   73    69    70    78  -0.43550 -1.0 2.0
   73    69    70    78   0.24500  1.0 3.0
   73    69    76    77   0.91850  1.0 1.0
   73    69    76    77   0.57950  1.0 3.0
   76    69    70    71   0.23400  1.0 3.0
   76    69    70    72   0.23400  1.0 3.0
   76    69    70    78   0.86500  1.0 1.0
   76    69    70    78  -0.17500 -1.0 2.0
   76    69    70    78   0.20800  1.0 3.0
   76    69    73    74   0.30150 -1.0 2.0
   76    69    73    75   0.30150 -1.0 2.0
   63    55    60    61   0.23400  1.0 3.0
   63    55    60    62   0.23400  1.0 3.0
   63    55    60    69   0.86500  1.0 1.0
   63    55    60    69  -0.17500 -1.0 2.0
   63    55    60    69   0.20800  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
   42    57    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   49    47    46    42   1.10000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   57    59    52    49   4.00000 -1.0 2.0
   52    58    57    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
END
