* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    254     486
    1     0 S   NP   _N1_     1    28.73003    94.68562   -21.79533
    2     1 S   H    _HN1     2     1.02795    90.43750   -95.20698
    3     1 S   H    _H1_     3     1.02860    90.82404    13.00363
    4     1 S   H    _H2_     4     1.02965    29.86066   137.96191
    5     1 S   CT   _CA1     5     1.50555   139.87585   138.49844
    6     5 S   HC   _HA1     6     1.09690   104.62181    63.06322
    7     5 S   CO3  _C1_     7     1.54429   110.79632   -52.71092
    8     7 S   O2Z  _O11     8     1.26045   116.70522  -117.82245
    9     7 S   O2Z  _O12     9     1.26549   113.76828    60.91183
   10     5 S   CT   _CB1    10     1.53104   106.93828   178.96203
   11    10 S   HC   HB11    11     1.09839   109.78143   -43.82395
   12    10 S   HC   HB12    12     1.09774   110.20851    72.68741
   13    10 S   CT   _CG1    13     1.53094   112.53539  -164.48581
   14    13 S   HC   HG11    14     1.09505   110.82729   -57.71120
   15    13 S   HC   HG12    15     1.09643   109.98284    61.35916
   16    13 S   C    _CD1    16     1.51804   112.04801  -178.64405
   17    16 S   O    _OE1    17     1.22752   123.13255    -9.68568
   18    16 S   N    _N2_    18     1.38681   111.79668   170.81864
   19    18 S   H    _HN2    19     1.01566   119.15017     1.60474
   20    18 S   CT1  _CA2    20     1.46238   123.18771  -177.17049
   21    20 S   HC   _HA2    21     1.09739   109.24746   -12.01428
   22    20 S   C    _C2_    22     1.53380   108.58123  -127.79531
   23    22 S   O    _O2_    23     1.23021   122.20497  -146.15982
   24    20 S   CT   _CB2    32     1.53622   111.66029   109.72594
   25    24 S   HC   HB21    33     1.09507   109.69723    59.00015
   26    24 S   HC   HB22    34     1.09512   110.00672   178.02424
   27    22 S   N    _N3_    24     1.38500   113.39962    41.18740
   28    27 S   H    _HN3    25     1.01528   118.90097    -0.54608
   29    24 S   S    _SG2    35     1.82582   111.53098   -61.63215
   30    27 S   CT   _CA3    26     1.45452   123.45073   175.21521
   31    30 S   HC   HA31    27     1.09522   109.25744    24.14157
   32    30 S   HC   HA32    28     1.09497   107.12117   141.13343
   33    29 S   CT   _C21    36     1.84083   100.89909  -169.45023
   34    33 S   HC   _H3_    37     1.09691   106.84377    53.10058
   35    30 S   CO3  _C3_    29     1.52919   113.07885   -99.35667
   36    35 S   O2Z  _O31    30     1.26404   115.37139   -45.57392
   37    35 S   O2Z  _O32    31     1.26350   115.00732   135.35605
   38    33 S   CT   _C13    38     1.55679   112.08635   170.45620
   39    38 S   HC   _H37    39     1.09794   107.00712   177.62134
   40    33 S   CT   _C20    83     1.53071   110.59765   -63.96325
   41    40 S   HC   _H47    84     1.09505   112.36501   -53.97957
   42    40 S   HC   _H48    85     1.09572   110.51506  -174.47242
   43    40 S   HC   _H49    86     1.09463   111.43237    67.30024
   44    38 S   CO4  _C6_    40     1.52927   111.71590    62.95986
   45    44 S   O    _O20    41     1.22683   122.33280    81.56267
   46    38 S   CT   _C10    70     1.54930   111.95360   -66.28533
   47    46 S   HC   _H32    71     1.09822   108.79329   -53.03558
   48    46 S   HC   _H33    72     1.09317   108.17103    61.28803
   49    44 S   OS   _O23    42     1.36402   112.46123   -97.56629
   50    49 S   CT   _C15    43     1.42897   116.42452  -177.63189
   51    50 S   HC   _H39    44     1.10073   109.51577    33.33427
   52    50 S   CT   _C12    45     1.52983   114.10430   152.68274
   53    52 S   HC   _H36    46     1.09755   109.66752   -80.60451
   54    50 S   CT   _C16    57     1.51718   113.73902   -88.71629
   55    54 S   HC   _H40    58     1.09415   112.15953    75.72067
   56    52 S   CM   _C5_    47     1.50601   120.64262    46.07533
   57    54 S   OH   _O24    59     1.42268   111.11954   -45.32478
   58    57 S   HO   _H51    60     0.97632   107.31702  -174.65812
   59    56 S   CM   _C4_    48     1.33666   109.93800   126.37260
   60    59 S   HC   _H27    49     1.08014   125.28152   177.50221
   61    56 S   CT   _C9_    61     1.48878   124.65922   -56.94990
   62    61 S   HC   _H30    62     1.09619   109.26104    83.95374
   63    61 S   HC   _H31    63     1.09635   110.66872  -155.88016
   64    59 S   CT   _C8_    50     1.48713   110.72301    -1.36013
   65    64 S   HC   _H28    51     1.09594   109.24564   108.83322
   66    64 S   HC   _H29    52     1.09487   111.47000  -132.72138
   67    61 S   OS   _O22    64     1.43376   109.49944   -35.29447
   68    52 S   NTH0 _N19    53     1.50576   103.20554   162.75019
   69    67 S   CO4  _C7_    65     1.36500   114.94038   178.13240
   70    69 S   O    _O21    66     1.22516   125.37977    16.00781
   71    68 S   CT   _C11    54     1.48765   107.17377   -23.03020
   72    71 S   HC   _H34    55     1.09486   113.78000  -125.97214
   73    71 S   HC   _H35    56     1.09636   106.48714   115.92863
   74    69 S   CT   _C17    67     1.53283   110.37512  -161.25687
   75    74 S   CT   _C14    68     1.56312   110.88251    53.26514
   76    75 S   HC   _H38    69     1.09621   107.59905   -65.76363
   77    74 S   CT   _C19    77     1.53057   108.50405   -71.62379
   78    77 S   HC   _H44    78     1.09479   111.61274  -166.32843
   79    77 S   HC   _H45    79     1.09496   111.68736    71.42834
   80    77 S   HC   _H46    80     1.09681   110.69683   -48.43890
   81    74 S   OH   _O25    81     1.42780   107.36656   171.76653
   82    81 S   HO   _H52    82     0.97303   107.99908    59.25469
   83    75 S   CT   _C18    73     1.53646   112.08233   177.03430
   84    83 S   HC   _H41    74     1.09483   111.57799   -62.77934
   85    83 S   HC   _H42    75     1.09400   111.26374   176.72470
   86    83 S   HC   _H43    76     1.09396   111.34265    58.13915
  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  15   8  18   7   9   6  12   5   1  10   5   8   3   2   6
   3   2   6   3  11   4   2   1   1  12  11   6   6   3   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    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    75    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    74    75    76    46    47    48    83    40    41    42    43  
   44    45    49    75    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    54    75    46    47    48  
   49    50    46  
   47    48    83    84    85    86    77    81    49    69    74    75    76  
   48    83    74    75    76  
   83    74    75    76  
   50    51    52    53    56    68    71    54    55    57  
   51    52    53    56    59    64    68    71    72    73    54    55    57    58    61  
   52    53    56    68    71    54    55    57  
   53    56    59    60    64    65    66    68    71    72    73    54    55    57    61    62    63    67  
   56    59    64    68    71    54    61  
   55    57    58    56    64    68    71    72    73  
   57    58    68    71    72    73  
   59    60    64    65    66    68    71    61    62    63    67    69  
   58    68    71    72    73  
   71  
   60    64    65    66    68    71    61    62    63    67  
   64    65    66    68    61  
   62    63    67    69    70    74    64    68  
   63    67    69  
   67    69  
   65    66    68    71    72    73  
   66    68    71  
   68    71  
   69    70    74    75    77    81  
   71    72    73  
   70    74    75    76    83    77    78    79    80    81    82  
   74    75    77    81  
   72    73  
   73  
    0  
   75    76    83    84    85    86    77    78    79    80    81    82  
   76    83    84    85    86    77    78    79    80    81    82  
   83    84    85    86    77    81  
   78    79    80    81    82    83  
   79    80    81  
   80    81  
   81  
   82    83  
    0  
   84    85    86  
   85    86  
   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   68   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    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    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    68   310.000  1.447
   56    59   549.000  1.340
   56    61   317.000  1.510
   59    60   340.000  1.080
   59    64   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   310.000  1.447
   68    71   310.000  1.447
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    54   268.000  1.529
   54    55   340.000  1.090
   54    57   320.000  1.410
   57    58   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    67   320.000  1.410
   67    69   214.000  1.327
   69    70   570.000  1.229
   69    74   317.000  1.522
   74    75   268.000  1.529
   74    77   268.000  1.529
   74    81   320.000  1.410
   75    76   340.000  1.090
   75    46   268.000  1.529
   75    83   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   553.000  0.945
   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    75    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    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    68    75.00000  113.73300
   50    54    71    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    50.00000  109.50000
   52    50    51    37.50000  110.70000
   52    56    59    70.00000  124.00000
   52    56    61    65.00000  117.92700
   52    68    64    80.00000  110.40700
   52    68    71    80.00000  110.40700
   56    52    53    35.00000  109.50000
   56    59    60    35.00000  120.00000
   56    59    64    70.00000  124.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    67    85.00000  110.90400
   59    64    65    35.00000  109.50000
   59    64    66    35.00000  109.50000
   59    64    68    75.00000  110.70900
   64    59    60    35.00000  117.00000
   64    68    71    80.00000  110.40700
   66    64    65    33.00000  107.80000
   68    52    53    50.00000  110.15500
   68    52    56    75.00000  110.70900
   68    64    65    50.00000  110.15500
   68    64    66    50.00000  110.15500
   68    71    72    50.00000  110.15500
   68    71    73    50.00000  110.15500
   68    71    54    75.00000  113.73300
   71    54    55    37.50000  110.70000
   71    54    57    50.00000  109.50000
   73    71    72    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    71    72    37.50000  110.70000
   54    71    73    37.50000  110.70000
   54    57    58    55.00000  108.50000
   57    54    55    35.00000  109.50000
   61    56    59    70.00000  124.00000
   61    67    69    83.00000  116.90000
   63    61    62    33.00000  107.80000
   67    61    62    35.00000  109.50000
   67    61    63    35.00000  109.50000
   67    69    70    83.00000  123.40000
   67    69    74    81.00000  111.40000
   69    74    75    63.00000  111.10000
   69    74    77    63.00000  111.10000
   69    74    81    90.00000  109.61100
   74    69    70    80.00000  120.40000
   74    75    76    37.50000  110.70000
   74    75    46    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    77    78    37.50000  110.70000
   74    77    79    37.50000  110.70000
   74    77    80    37.50000  110.70000
   74    81    82    55.00000  108.50000
   75    46    47    37.50000  110.70000
   75    46    48    37.50000  110.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   46    75    76    37.50000  110.70000
   48    46    47    33.00000  107.80000
   83    75    76    37.50000  110.70000
   83    75    46    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    74    75    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    74    75    50.00000  109.50000
   81    74    77    50.00000  109.50000
   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    75   0.56750  1.0 1.0
   33    38    46    75  -0.07550 -1.0 2.0
   33    38    46    75   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    75   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    75  -0.95700  1.0 1.0
   44    38    46    75  -0.18200 -1.0 2.0
   44    38    46    75   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    54  -0.25900  1.0 1.0
   44    49    50    54  -0.47000 -1.0 2.0
   44    49    50    54   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    56   0.61850  1.0 1.0
   49    50    52    56  -0.22750 -1.0 2.0
   49    50    52    56   0.15300  1.0 3.0
   49    50    52    68   0.63850  1.0 1.0
   49    50    52    68   0.02700 -1.0 2.0
   49    50    54    71   0.62750  1.0 1.0
   49    50    54    71  -0.30950 -1.0 2.0
   49    50    54    71   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    57   3.69350  1.0 1.0
   49    50    54    57  -1.82950 -1.0 2.0
   50    52    56    59   0.09850  1.0 1.0
   50    52    56    59   0.15250 -1.0 2.0
   50    52    56    59  -0.50650  1.0 3.0
   50    52    56    61   0.46850  1.0 1.0
   50    52    56    61   0.08550 -1.0 2.0
   50    52    56    61   0.09800  1.0 3.0
   50    52    68    64   1.99000  1.0 1.0
   50    52    68    64   0.18800 -1.0 2.0
   50    52    68    64   0.81350  1.0 3.0
   50    52   -68    71   1.99000  1.0 1.0
   50    52   -68    71   0.18800 -1.0 2.0
   50    52   -68    71   0.81350  1.0 3.0
   50    54    57    58  -0.11600  1.0 1.0
   50    54    57    58  -0.09450 -1.0 2.0
   50    54    57    58   0.21250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    68   0.15000  1.0 3.0
   51    50    54    71   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.23400  1.0 3.0
   52    50   -54    71   0.56750  1.0 1.0
   52    50   -54    71  -0.07550 -1.0 2.0
   52    50   -54    71   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.86500  1.0 1.0
   52    50    54    57  -0.17500 -1.0 2.0
   52    50    54    57   0.20800  1.0 3.0
   52    56    59    60   7.00000 -1.0 2.0
   52    56   -59    64   7.00000 -1.0 2.0
   52    56    61    62   0.34800  1.0 3.0
   52    56    61    63   0.34800  1.0 3.0
   52    56    61    67   0.09700  1.0 1.0
   52    56    61    67   0.15600 -1.0 2.0
   52    56    61    67  -0.50800  1.0 3.0
   52    68    71    72   0.28000  1.0 3.0
   52    68    71    73   0.28000  1.0 3.0
   52    68   -71    54   1.99000  1.0 1.0
   52    68   -71    54   0.18800 -1.0 2.0
   52    68   -71    54   0.81350  1.0 3.0
   53    52    56    59   0.00000  1.0 1.0
   53    52    56    61   0.34800  1.0 3.0
   53    52    68    64   0.28000  1.0 3.0
   53    52    68    71   0.28000  1.0 3.0
   56    52   -68    64  -0.60800  1.0 1.0
   56    52   -68    64   1.10050 -1.0 2.0
   56    52   -68    64   0.47000  1.0 3.0
   56    52    68    71  -0.60800  1.0 1.0
   56    52    68    71   1.10050 -1.0 2.0
   56    52    68    71   0.47000  1.0 3.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.00000  1.0 1.0
   56    59   -64    68   0.90200  1.0 1.0
   56    59   -64    68   0.57900 -1.0 2.0
   56    59   -64    68  -0.62100  1.0 3.0
   56    61    67    69  -0.82050  1.0 1.0
   56    61    67    69   0.00600 -1.0 2.0
   56    61    67    69   0.04400  1.0 3.0
   59    56    61    62   0.00000  1.0 1.0
   59    56    61    63   0.00000  1.0 1.0
   59    56    61    67   0.39000  1.0 1.0
   59    56    61    67  -0.05800 -1.0 2.0
   59    56    61    67  -0.55150  1.0 3.0
   59    64   -68    52  -0.60800  1.0 1.0
   59    64   -68    52   1.10050 -1.0 2.0
   59    64   -68    52   0.47000  1.0 3.0
   59    64    68    71  -0.60800  1.0 1.0
   59    64    68    71   1.10050 -1.0 2.0
   59    64    68    71   0.47000  1.0 3.0
   60    59    64    65   0.33100  1.0 3.0
   60    59    64    66   0.33100  1.0 3.0
   60    59    64    68   0.00000  1.0 1.0
   64    68    71    72   0.28000  1.0 3.0
   64    68    71    73   0.28000  1.0 3.0
   64    68    71    54   1.99000  1.0 1.0
   64    68    71    54   0.18800 -1.0 2.0
   64    68    71    54   0.81350  1.0 3.0
   65    64    68    52   0.28000  1.0 3.0
   65    64    68    71   0.28000  1.0 3.0
   66    64    68    52   0.28000  1.0 3.0
   66    64    68    71   0.28000  1.0 3.0
   68    52   -56    59   0.90200  1.0 1.0
   68    52   -56    59   0.57900 -1.0 2.0
   68    52   -56    59  -0.62100  1.0 3.0
   68    52    56    61   0.52100  1.0 1.0
   68    52    56    61  -0.20350 -1.0 2.0
   68    52    56    61   0.29750  1.0 3.0
   68    71   -54    50   1.53400  1.0 1.0
   68    71   -54    50  -0.09950 -1.0 2.0
   68    71   -54    50   0.05700  1.0 3.0
   68    71    54    55   0.15000  1.0 3.0
   68    71    54    57   3.18500  1.0 1.0
   71    54    57    58  -0.11600  1.0 1.0
   71    54    57    58  -0.09450 -1.0 2.0
   71    54    57    58   0.21250  1.0 3.0
   72    71    54    50   0.15000  1.0 3.0
   72    71    54    55   0.15000  1.0 3.0
   72    71    54    57   0.23400  1.0 3.0
   73    71    54    50   0.15000  1.0 3.0
   73    71    54    55   0.15000  1.0 3.0
   73    71    54    57   0.23400  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50   -52    68   1.53400  1.0 1.0
   54    50   -52    68  -0.09950 -1.0 2.0
   54    50   -52    68   0.05700  1.0 3.0
   55    54    57    58   0.19450  1.0 3.0
   61    56    59    60   7.00000 -1.0 2.0
   61    56    59    64   7.00000 -1.0 2.0
   61    67    69    70   3.00000 -1.0 2.0
   61    67    69    74   1.63150  1.0 1.0
   61    67    69    74   2.92000 -1.0 2.0
   62    61    67    69   0.08050  1.0 3.0
   63    61    67    69   0.08050  1.0 3.0
   67    69    74    75   0.36750  1.0 3.0
   67    69    74    77   0.36750  1.0 3.0
   67    69    74    81   0.30750  1.0 1.0
   67    69    74    81   1.13850 -1.0 2.0
   67    69    74    81   0.38850  1.0 3.0
   69    74    75    76  -0.11250  1.0 3.0
   69    74    75    46  -0.95700  1.0 1.0
   69    74    75    46  -0.18200 -1.0 2.0
   69    74    75    46   0.29450  1.0 3.0
   69    74    75    83  -0.95700  1.0 1.0
   69    74    75    83  -0.18200 -1.0 2.0
   69    74    75    83   0.29450  1.0 3.0
   69    74    77    78  -0.11250  1.0 3.0
   69    74    77    79  -0.11250  1.0 3.0
   69    74    77    80  -0.11250  1.0 3.0
   69    74    81    82   0.91850  1.0 1.0
   69    74    81    82   0.57950  1.0 3.0
   70    69    74    75   0.30150 -1.0 2.0
   70    69    74    77   0.30150 -1.0 2.0
   70    69    74    81   0.30150 -1.0 2.0
   74    75    46    38   0.56750  1.0 1.0
   74    75    46    38  -0.07550 -1.0 2.0
   74    75    46    38   0.20000  1.0 3.0
   74    75    46    47   0.15000  1.0 3.0
   74    75    46    48   0.15000  1.0 3.0
   74    75    83    84   0.15000  1.0 3.0
   74    75    83    85   0.15000  1.0 3.0
   74    75    83    86   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   75    74    77    79   0.15000  1.0 3.0
   75    74    77    80   0.15000  1.0 3.0
   75    74    81    82  -0.11600  1.0 1.0
   75    74    81    82  -0.09450 -1.0 2.0
   75    74    81    82   0.21250  1.0 3.0
   76    75    46    38   0.15000  1.0 3.0
   76    75    46    47   0.15000  1.0 3.0
   76    75    46    48   0.15000  1.0 3.0
   76    75    83    84   0.15000  1.0 3.0
   76    75    83    85   0.15000  1.0 3.0
   76    75    83    86   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    75    83    84   0.15000  1.0 3.0
   46    75    83    85   0.15000  1.0 3.0
   46    75    83    86   0.15000  1.0 3.0
   83    75    46    38   0.56750  1.0 1.0
   83    75    46    38  -0.07550 -1.0 2.0
   83    75    46    38   0.20000  1.0 3.0
   83    75    46    47   0.15000  1.0 3.0
   83    75    46    48   0.15000  1.0 3.0
   77    74    75    76   0.15000  1.0 3.0
   77    74    75    46   0.56750  1.0 1.0
   77    74    75    46  -0.07550 -1.0 2.0
   77    74    75    46   0.20000  1.0 3.0
   77    74    75    83   0.56750  1.0 1.0
   77    74    75    83  -0.07550 -1.0 2.0
   77    74    75    83   0.20000  1.0 3.0
   77    74    81    82  -0.11600  1.0 1.0
   77    74    81    82  -0.09450 -1.0 2.0
   77    74    81    82   0.21250  1.0 3.0
   81    74    75    76   0.23400  1.0 3.0
   81    74    75    46   0.86500  1.0 1.0
   81    74    75    46  -0.17500 -1.0 2.0
   81    74    75    46   0.20800  1.0 3.0
   81    74    75    83   0.86500  1.0 1.0
   81    74    75    83  -0.17500 -1.0 2.0
   81    74    75    83   0.20800  1.0 3.0
   81    74    77    78   0.23400  1.0 3.0
   81    74    77    79   0.23400  1.0 3.0
   81    74    77    80   0.23400  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
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   52    61    56    59   1.10000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   67    74    69    70  10.50000 -1.0 2.0
END
