* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    254     486
    1     0 S   NP   _N1_     1    28.39953    93.11336   -19.50510
    2     1 S   H    _HN1     2     1.02949    94.23878   -13.92216
    3     1 S   H    _H1_     3     1.02836    42.00814    97.08279
    4     1 S   H    _H2_     4     1.02781    74.70190  -121.75965
    5     1 S   CT   _CA1     5     1.50139   149.36210   130.37870
    6     5 S   HC   _HA1     6     1.09569   105.23992    36.31632
    7     5 S   CO3  _C1_     7     1.53935   112.18927   -83.89858
    8     7 S   O2Z  _O11     8     1.26424   115.15874   -45.87711
    9     7 S   O2Z  _O12     9     1.26232   114.90585   133.18281
   10     5 S   CT   _CB1    10     1.53090   107.37760   154.22500
   11    10 S   HC   HB11    11     1.09818   109.70139   -49.03303
   12    10 S   HC   HB12    12     1.09715   110.06136    67.44522
   13    10 S   CT   _CG1    13     1.53007   112.70586  -170.11957
   14    13 S   HC   HG11    14     1.09593   110.38916   -57.68184
   15    13 S   HC   HG12    15     1.09620   110.07680    61.45573
   16    13 S   C    _CD1    16     1.51845   112.30267  -177.95196
   17    16 S   O    _OE1    17     1.22752   123.40122    -7.15187
   18    16 S   N    _N2_    18     1.38550   111.71149   172.37573
   19    18 S   H    _HN2    19     1.01558   119.10883     6.64886
   20    18 S   CT1  _CA2    20     1.45853   122.97203  -175.53656
   21    20 S   HC   _HA2    21     1.09638   108.48498    27.32081
   22    20 S   C    _C2_    22     1.52806   107.67878   -89.96182
   23    22 S   O    _O2_    23     1.22935   122.93251   -27.35888
   24    20 S   CT   _CB2    32     1.53329   112.01298   150.07248
   25    24 S   HC   HB21    33     1.09659   109.71275    60.49362
   26    24 S   HC   HB22    34     1.09549   111.53511   178.19485
   27    22 S   N    _N3_    24     1.38624   112.31809   155.55155
   28    27 S   H    _HN3    25     1.01489   119.75041     0.76208
   29    24 S   S    _SG2    35     1.82681   112.82805   -58.32007
   30    27 S   CT   _CA3    26     1.45443   122.82736   175.19649
   31    30 S   HC   HA31    27     1.09538   108.94552    30.38631
   32    30 S   HC   HA32    28     1.09478   107.17283   147.53399
   33    29 S   CT   _C20    36     1.84590   100.43167   -79.75550
   34    33 S   HC   _H7_    37     1.09589   109.55944    12.22924
   35    30 S   CO3  _C3_    29     1.53063   113.60475   -92.59900
   36    35 S   O2Z  _O31    30     1.26376   115.83129   -30.46602
   37    35 S   O2Z  _O32    31     1.26412   114.67304   150.39900
   38    33 S   CT   _C7_    38     1.55248   109.54560   132.15971
   39    38 S   HC   _H4_    39     1.09438   109.02940    47.08024
   40    33 S   CT   _C21    83     1.53092   106.26201  -104.39223
   41    40 S   HC   _H26    84     1.09601   111.81486   -65.77783
   42    40 S   HC   _H27    85     1.09524   110.95800   173.94767
   43    40 S   HC   _H28    86     1.09631   111.45826    55.62000
   44    38 S   CO4  _C8_    40     1.52201   110.46566   165.46493
   45    44 S   O    _O33    41     1.22382   124.44976    82.60380
   46    38 S   CT   _C6_    67     1.54986   111.38164   -73.52348
   47    46 S   HC   _H11    68     1.09927   107.09154   -57.82859
   48    46 S   HC   _H12    69     1.09320   109.56857    55.89490
   49    44 S   OS   _O34    42     1.36600   109.48619   -97.87088
   50    49 S   CT   _C9_    43     1.42641   116.88025  -170.06293
   51    50 S   HC   _H5_    44     1.09916   111.15721   -25.69233
   52    50 S   CT   _C10    45     1.51304   111.93138  -146.65776
   53    52 S   HC   _H13    46     1.09452   112.00064    78.39974
   54    52 S   HC   _H14    47     1.09675   111.06065   -41.66076
   55    52 S   CT   _C11    48     1.52324   102.43844  -160.69453
   56    55 S   HC   _H15    49     1.09562   110.75743   149.60626
   57    55 S   HC   _H16    50     1.09633   109.46772   -92.75046
   58    55 S   NT   _N4_    51     1.48525   107.52400    23.63500
   59    58 S   CT   _C15    52     1.48056   111.73350   116.24929
   60    59 S   HC   _H18    53     1.09608   109.26339   146.62101
   61    59 S   HC   _H19    54     1.09490   113.02080    27.16705
   62    59 S   CM   _C14    55     1.48791   105.90713   -95.73797
   63    62 S   HC   _H17    56     1.08013   124.05924   168.88630
   64    62 S   CM   _C13    57     1.33737   110.49685   -11.54941
   65    64 S   CT   _C16    58     1.49008   125.43623   179.89913
   66    65 S   HC   _H20    59     1.09590   109.57819  -108.55675
   67    65 S   HC   _H21    60     1.09651   110.68664    11.07583
   68    50 S   CT   _C12    81     1.52831   112.77344    98.29886
   69    68 S   HC   _H6_    82     1.09693   110.40972   -80.29447
   70    65 S   OS   _O35    61     1.43302   109.47778   130.78431
   71    70 S   CO4  _C17    62     1.36574   115.37209   173.45704
   72    71 S   O    _O36    63     1.22569   125.08038     2.96240
   73    71 S   CT   _C18    64     1.53017   110.85034  -177.83192
   74    73 S   CT   _C5_    65     1.56222   112.34745    53.12847
   75    74 S   HC   _H3_    66     1.09610   109.41284   -53.49794
   76    73 S   CT   _C19    74     1.54259   107.16578   -73.78425
   77    76 S   HC   _H22    75     1.09690   110.67307   -44.01034
   78    76 S   HC   _H23    76     1.09607   110.84968  -161.91326
   79    73 S   OH   _O38    79     1.43145   106.73685   171.54046
   80    79 S   HO   _H25    80     0.97423   108.84278    67.54417
   81    74 S   CT   _C4_    70     1.54305   111.05134  -170.35934
   82    81 S   HC   _H8_    71     1.09372   111.43977   -58.42548
   83    81 S   HC   _H9_    72     1.09575   110.87659  -178.62941
   84    81 S   HC   _H10    73     1.09368   111.74914    62.85670
   85    76 S   OH   _O37    77     1.42021   111.67263    76.62676
   86    85 S   HO   _H24    78     0.97246   107.12431   179.85873
  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
  14   8   2   1   1  16   8   5   2   1   1  10   3  13   5   4
  10  14   8  10   6   5  10   4   3   9   8   5   4   8   3   7
   8   4   3   2   1   6  11   4  13  11   6   7   4   3   3   1
   3   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    74    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    73    74    75    46    47    48    81    40    41    42    43  
   44    45    49    74    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    74    46    47    48    68  
   49    50    46  
   47    48    81    82    83    84    76    79    49    71    73    74    75  
   48    81    73    74    75  
   81    73    74    75  
   50    51    52    53    54    55    58    64    68    69  
   51    52    53    54    55    56    57    58    59    62    64    65    68    69  
   52    53    54    55    58    64    68    69  
   53    54    55    56    57    58    59    64    68    69  
   54    55    56    57    58    68  
   55    56    57    58    68  
   56    57    58    59    60    61    62    64    68    69  
   57    58    59    68  
   58    59    68  
   59    60    61    62    63    64    65    68    69  
   60    61    62    63    64    65    68    69  
   61    62    63    64    68  
   62    63    64    68  
   63    64    65    66    67    70    68    69  
   64    65    68  
   65    66    67    70    71    68    69  
   66    67    70    71    72    73    68    69  
   67    70    71    68  
   70    71    68  
   69    70  
    0  
   71    72    73    74    76    79  
   72    73    74    75    81    76    77    78    85    79    80  
   73    74    76    79  
   74    75    81    82    83    84    76    77    78    85    86    79    80  
   75    81    82    83    84    76    77    78    85    79    80  
   81    82    83    84    76    79  
   77    78    85    86    79    80    81  
   78    85    86    79  
   85    86    79  
   80    81    85  
    0  
   82    83    84  
   83    84  
   84  
    0  
   86  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    68   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   382.000  1.448
   58    59   382.000  1.448
   58    68   382.000  1.448
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    79   320.000  1.410
   74    75   340.000  1.090
   74    46   268.000  1.529
   74    81   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    85   320.000  1.410
   85    86   553.000  0.945
   79    80   553.000  0.945
   68    69   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    74    58.35000  112.70000
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    68    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    68    58    56.20000  109.47000
   50    68    64    70.00000  112.02700
   50    68    69    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    56.20000  109.47000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    51.80000  107.20000
   55    58    68    51.80000  107.20000
   57    55    56    33.00000  107.80000
   58    55    56    35.00000  109.50000
   58    55    57    35.00000  109.50000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    75.00000  110.70900
   58    68    64    75.00000  110.70900
   58    68    69    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    70    85.00000  110.90400
   64    68    69    35.00000  109.50000
   65    70    71    83.00000  116.90000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    81.00000  111.40000
   71    73    74    63.00000  111.10000
   71    73    76    63.00000  111.10000
   71    73    79    90.00000  109.61100
   73    71    72    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    46    58.35000  112.70000
   73    74    81    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    85    50.00000  109.50000
   73    79    80    55.00000  108.50000
   74    46    47    37.50000  110.70000
   74    46    48    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    74    75    37.50000  110.70000
   48    46    47    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    46    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    73    74    58.35000  112.70000
   76    85    86    55.00000  108.50000
   78    76    77    33.00000  107.80000
   85    76    77    35.00000  109.50000
   85    76    78    35.00000  109.50000
   79    73    74    50.00000  109.50000
   79    73    76    50.00000  109.50000
   68    50    51    37.50000  110.70000
   68    50    52    58.35000  112.70000
   68    58    59    51.80000  107.20000
   68    64    65    65.00000  117.92700
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    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    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    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    74   0.56750  1.0 1.0
   33    38    46    74  -0.07550 -1.0 2.0
   33    38    46    74   0.20000  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    74   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    74  -0.95700  1.0 1.0
   44    38    46    74  -0.18200 -1.0 2.0
   44    38    46    74   0.29450  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    68  -0.25900  1.0 1.0
   44    49    50    68  -0.47000 -1.0 2.0
   44    49    50    68   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    68    58   1.74050  1.0 1.0
   49    50    68    64   0.61850  1.0 1.0
   49    50    68    64  -0.22750 -1.0 2.0
   49    50    68    64   0.15300  1.0 3.0
   49    50    68    69   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    68    58   0.15000  1.0 3.0
   51    50    68    64   0.15000  1.0 3.0
   51    50    68    69   0.15000  1.0 3.0
   52    50   -68    58   1.53400  1.0 1.0
   52    50   -68    58  -0.09950 -1.0 2.0
   52    50   -68    58   0.05700  1.0 3.0
   52    50    68    64   0.34400  1.0 1.0
   52    50    68    64   0.09450 -1.0 2.0
   52    50    68    64   0.11100  1.0 3.0
   52    50    68    69   0.15000  1.0 3.0
   52    55    58    59   0.23450  1.0 1.0
   52    55    58    59   0.02050 -1.0 2.0
   52    55    58    59   0.25250  1.0 3.0
   52    55   -58    68   0.23450  1.0 1.0
   52    55   -58    68   0.02050 -1.0 2.0
   52    55   -58    68   0.25250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62  -0.60800  1.0 1.0
   55    58    59    62   1.10050 -1.0 2.0
   55    58    59    62   0.47000  1.0 3.0
   55    58   -68    50   0.23450  1.0 1.0
   55    58   -68    50   0.02050 -1.0 2.0
   55    58   -68    50   0.25250  1.0 3.0
   55    58    68    64  -0.60800  1.0 1.0
   55    58    68    64   1.10050 -1.0 2.0
   55    58    68    64   0.47000  1.0 3.0
   55    58    68    69   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    68   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    68   0.28000  1.0 3.0
   58    59    62    63   0.00000  1.0 1.0
   58    59   -62    64   0.90200  1.0 1.0
   58    59   -62    64   0.57900 -1.0 2.0
   58    59   -62    64  -0.62100  1.0 3.0
   59    58    68    50   0.23450  1.0 1.0
   59    58    68    50   0.02050 -1.0 2.0
   59    58    68    50   0.25250  1.0 3.0
   59    58   -68    64  -0.60800  1.0 1.0
   59    58   -68    64   1.10050 -1.0 2.0
   59    58   -68    64   0.47000  1.0 3.0
   59    58    68    69   0.28000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62   -64    68   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    70   0.39000  1.0 1.0
   62    64    65    70  -0.05800 -1.0 2.0
   62    64    65    70  -0.55150  1.0 3.0
   62    64    68    50   0.09850  1.0 1.0
   62    64    68    50   0.15250 -1.0 2.0
   62    64    68    50  -0.50650  1.0 3.0
   62    64   -68    58   0.90200  1.0 1.0
   62    64   -68    58   0.57900 -1.0 2.0
   62    64   -68    58  -0.62100  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    70    71  -0.82050  1.0 1.0
   64    65    70    71   0.00600 -1.0 2.0
   64    65    70    71   0.04400  1.0 3.0
   65    64    68    50   0.46850  1.0 1.0
   65    64    68    50   0.08550 -1.0 2.0
   65    64    68    50   0.09800  1.0 3.0
   65    64    68    58   0.52100  1.0 1.0
   65    64    68    58  -0.20350 -1.0 2.0
   65    64    68    58   0.29750  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    70    71    72   3.00000 -1.0 2.0
   65    70    71    73   1.63150  1.0 1.0
   65    70    71    73   2.92000 -1.0 2.0
   66    65    70    71   0.08050  1.0 3.0
   67    65    70    71   0.08050  1.0 3.0
   70    71    73    74   0.36750  1.0 3.0
   70    71    73    76   0.36750  1.0 3.0
   70    71    73    79   0.30750  1.0 1.0
   70    71    73    79   1.13850 -1.0 2.0
   70    71    73    79   0.38850  1.0 3.0
   71    73    74    75  -0.11250  1.0 3.0
   71    73    74    46  -0.95700  1.0 1.0
   71    73    74    46  -0.18200 -1.0 2.0
   71    73    74    46   0.29450  1.0 3.0
   71    73    74    81  -0.95700  1.0 1.0
   71    73    74    81  -0.18200 -1.0 2.0
   71    73    74    81   0.29450  1.0 3.0
   71    73    76    77  -0.11250  1.0 3.0
   71    73    76    78  -0.11250  1.0 3.0
   71    73    76    85  -0.09450  1.0 1.0
   71    73    76    85  -1.12950 -1.0 2.0
   71    73    76    85   0.54000  1.0 3.0
   71    73    79    80   0.91850  1.0 1.0
   71    73    79    80   0.57950  1.0 3.0
   72    71    73    74   0.30150 -1.0 2.0
   72    71    73    76   0.30150 -1.0 2.0
   72    71    73    79   0.30150 -1.0 2.0
   73    74    46    38   0.56750  1.0 1.0
   73    74    46    38  -0.07550 -1.0 2.0
   73    74    46    38   0.20000  1.0 3.0
   73    74    46    47   0.15000  1.0 3.0
   73    74    46    48   0.15000  1.0 3.0
   73    74    81    82   0.15000  1.0 3.0
   73    74    81    83   0.15000  1.0 3.0
   73    74    81    84   0.15000  1.0 3.0
   73    76    85    86  -0.11600  1.0 1.0
   73    76    85    86  -0.09450 -1.0 2.0
   73    76    85    86   0.21250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    85   0.86500  1.0 1.0
   74    73    76    85  -0.17500 -1.0 2.0
   74    73    76    85   0.20800  1.0 3.0
   74    73    79    80  -0.11600  1.0 1.0
   74    73    79    80  -0.09450 -1.0 2.0
   74    73    79    80   0.21250  1.0 3.0
   75    74    46    38   0.15000  1.0 3.0
   75    74    46    47   0.15000  1.0 3.0
   75    74    46    48   0.15000  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    74    81    82   0.15000  1.0 3.0
   46    74    81    83   0.15000  1.0 3.0
   46    74    81    84   0.15000  1.0 3.0
   81    74    46    38   0.56750  1.0 1.0
   81    74    46    38  -0.07550 -1.0 2.0
   81    74    46    38   0.20000  1.0 3.0
   81    74    46    47   0.15000  1.0 3.0
   81    74    46    48   0.15000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    46   0.56750  1.0 1.0
   76    73    74    46  -0.07550 -1.0 2.0
   76    73    74    46   0.20000  1.0 3.0
   76    73    74    81   0.56750  1.0 1.0
   76    73    74    81  -0.07550 -1.0 2.0
   76    73    74    81   0.20000  1.0 3.0
   76    73    79    80  -0.11600  1.0 1.0
   76    73    79    80  -0.09450 -1.0 2.0
   76    73    79    80   0.21250  1.0 3.0
   77    76    85    86   0.19450  1.0 3.0
   78    76    85    86   0.19450  1.0 3.0
   79    73    74    75   0.23400  1.0 3.0
   79    73    74    46   0.86500  1.0 1.0
   79    73    74    46  -0.17500 -1.0 2.0
   79    73    74    46   0.20800  1.0 3.0
   79    73    74    81   0.86500  1.0 1.0
   79    73    74    81  -0.17500 -1.0 2.0
   79    73    74    81   0.20800  1.0 3.0
   79    73    76    77   0.23400  1.0 3.0
   79    73    76    78   0.23400  1.0 3.0
   79    73    76    85   3.75450  1.0 1.0
   68    50    52    53   0.15000  1.0 3.0
   68    50    52    54   0.15000  1.0 3.0
   68    50   -52    55   0.56750  1.0 1.0
   68    50   -52    55  -0.07550 -1.0 2.0
   68    50   -52    55   0.20000  1.0 3.0
   68    58    59    60   0.28000  1.0 3.0
   68    58    59    61   0.28000  1.0 3.0
   68    58   -59    62  -0.60800  1.0 1.0
   68    58   -59    62   1.10050 -1.0 2.0
   68    58   -59    62   0.47000  1.0 3.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    70   0.09700  1.0 1.0
   68    64    65    70   0.15600 -1.0 2.0
   68    64    65    70  -0.50800  1.0 3.0
   40    33    38    39   0.15000  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    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
END
