* LIGAND DATABASE FILE (OPLS2005)
*
001      85    87    163    259     488
    1     0 S   NP   _N1_     1    28.62382    94.92146   -21.01727
    2     1 S   H    _HN1     2     1.02775    88.04269   -67.95176
    3     1 S   H    _H1_     3     1.02963    90.78560    40.34679
    4     1 S   H    _H2_     4     1.02835    31.92967   162.51718
    5     1 S   CT   _CA1     5     1.50112   142.63530   166.65598
    6     5 S   HC   _HA1     6     1.09574   105.26894    56.82511
    7     5 S   CO3  _C1_     7     1.53804   112.30853   -63.41764
    8     7 S   O2Z  _O11     8     1.26350   115.00542   -45.45101
    9     7 S   O2Z  _O12     9     1.26240   114.90543   133.72527
   10     5 S   CT   _CB1    10     1.53083   107.41483   174.71331
   11    10 S   HC   HB11    11     1.09819   109.37092   -51.09516
   12    10 S   HC   HB12    12     1.09833   110.39190    65.44916
   13    10 S   CT   _CG1    13     1.53006   112.67426  -172.26942
   14    13 S   HC   HG11    14     1.09603   110.27539   -61.55245
   15    13 S   HC   HG12    15     1.09626   110.18929    57.68540
   16    13 S   C    _CD1    16     1.51790   112.16426   177.96385
   17    16 S   O    _OE1    17     1.22733   123.20348   -10.34606
   18    16 S   N    _N2_    18     1.38613   111.68870   169.99234
   19    18 S   H    _HN2    19     1.01590   119.02450     1.65706
   20    18 S   CT1  _CA2    20     1.46269   123.37543  -176.78393
   21    20 S   HC   _HA2    21     1.09732   109.33174   -16.08518
   22    20 S   C    _C2_    22     1.53358   108.36270  -131.92659
   23    22 S   O    _O2_    23     1.23006   122.26819  -145.68530
   24    20 S   CT   _CB2    32     1.53498   111.23363   105.93196
   25    24 S   HC   HB21    33     1.09593   109.59864    55.32312
   26    24 S   HC   HB22    34     1.09494   110.68694   174.26188
   27    22 S   N    _N3_    24     1.38515   113.31064    41.67584
   28    27 S   H    _HN3    25     1.01534   118.90728    -0.57777
   29    24 S   S    _SG2    35     1.82759   111.59863   -65.83796
   30    27 S   CT   _CA3    26     1.45450   123.43078   175.07518
   31    30 S   HC   HA31    27     1.09525   109.21240    24.78483
   32    30 S   HC   HA32    28     1.09495   107.12664   141.79060
   33    29 S   CT   _C17    36     1.83371    99.63477   158.40443
   34    33 S   HC   _H3_    37     1.09576   109.15278   -47.13126
   35    30 S   CO3  _C3_    29     1.52931   113.14089   -98.67165
   36    35 S   O2Z  _O31    30     1.26402   115.42159   -43.99046
   37    35 S   O2Z  _O32    31     1.26358   114.97108   136.94940
   38    33 S   CT   _C9_    38     1.53194   107.24279    73.52552
   39    38 S   HC   _H29    39     1.09540   113.76454    32.92412
   40    38 S   HC   _H30    40     1.09357   111.48624   -92.81010
   41    38 S   CO4  _C4_    41     1.50134   103.34551   148.90544
   42    41 S   O    _O20    42     1.22635   122.53901   174.51009
   43    41 S   CT   _C18    43     1.53051   112.86874    -3.87919
   44    33 S   CT   _C12    44     1.55263   114.79858  -170.68124
   45    44 S   HC   _H33    45     1.09944   105.34902   -42.23156
   46    43 S   CT   _C15    63     1.55059   108.81479  -139.35048
   47    46 S   HC   _H36    64     1.09477   107.62477   -49.56059
   48    43 S   CT   _C22    82     1.53844   102.84107    98.75934
   49    48 S   HC   _H48    83     1.08611   113.80828  -168.62932
   50    48 S   HC   _H49    84     1.09486   110.90445    69.44115
   51    48 S   HC   _H50    85     1.09682   111.89006   -48.39513
   52    44 S   CT   _C13    46     1.55584   118.72560    76.89361
   53    52 S   HC   _H34    47     1.09473   109.99413    72.62483
   54    46 S   OS   _O25    65     1.46532   106.23155    63.84925
   55    52 S   CT   _C16    48     1.55780   109.93965  -167.34551
   56    55 S   HC   _H37    49     1.09672   109.61673    49.06144
   57    54 S   CO4  _C8_    66     1.35920   118.81847  -143.31301
   58    57 S   O    _O22    67     1.22193   126.05725    -2.62912
   59    52 S   CT   _C21    78     1.53924   113.37207   -43.50624
   60    59 S   HC   _H45    79     1.09443   111.48059   -61.07253
   61    59 S   HC   _H46    80     1.09543   111.60268   178.48238
   62    59 S   HC   _H47    81     1.09354   111.21481    61.68687
   63    55 S   CT   _C14    50     1.53296   117.04289   -76.59133
   64    63 S   HC   _H35    51     1.10112   106.56403  -162.74088
   65    57 S   CM   _C7_    68     1.48954   109.21426   177.58022
   66    55 S   OH   _O24    76     1.43885   108.29480   164.15738
   67    66 S   HO   _H51    77     0.97234   107.92836  -168.17450
   68    63 S   CT   _C11    52     1.52508   121.02531    74.92288
   69    68 S   HC   _H32    53     1.09970   106.33524    88.20504
   70    65 S   CM   _C6_    69     1.34132   117.41916   176.75237
   71    70 S   HC   _H27    70     1.08557   120.95527   179.80923
   72    70 S   HC   _H28    71     1.08538   122.47430    -0.19383
   73    65 S   CT   _C19    72     1.49825   120.06643    -3.59232
   74    73 S   HC   _H39    73     1.09517   110.56387   -59.12059
   75    73 S   HC   _H40    74     1.09506   110.61449    61.35611
   76    73 S   HC   _H41    75     1.09532   111.89073  -178.84699
   77    68 S   CT   _C10    54     1.53806   100.23995  -161.16052
   78    77 S   HC   _H31    55     1.09950   108.14840   -79.94779
   79    77 S   CO4  _C5_    56     1.50466   102.99725    31.54877
   80    79 S   O    _O21    57     1.22059   126.33612   161.82258
   81    77 S   CT   _C20    59     1.51659   118.09672   157.45185
   82    81 S   HC   _H42    60     1.09259   112.52178   -67.38130
   83    81 S   HC   _H43    61     1.09600   110.18054   174.00259
   84    81 S   HC   _H44    62     1.09448   111.00097    54.94137
   85    63 S   OS   _O23    58     1.43755   111.19957   -49.58604
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   8   2   1   1  10   5   4  13   4  18  19   6  20   7   6
   2   1   1  13   8   9  14   7  10   3   5   2   1   1  11   6
   7   3   1  10   5   6   2   1   3   2   1   1   8   7   6   2
   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    59    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    68    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    63    68    69    77    46    47    54    57    59    48    49    50    51  
   45    52    53    55    56    63    68    46    47    54    66    59    60    61    62    48    49    50    51  
   52    53    55    46    59    48  
   47    54    57    58    65    48    49    50    51    52    55    63    64    68    69    77    78    79    81    85  
   54    57    48    63    68    69    77  
   49    50    51    52    54    68  
   50    51  
   51  
    0  
   53    55    56    63    64    68    85    66    67    59    60    61    62  
   55    56    63    66    59    60    61    62  
   57    58    65    70    73    63    68    69    77  
   56    63    64    68    69    77    79    85    66    67    59    60    61    62  
   63    64    68    85    66    67    59  
   58    65    70    71    72    73    74    75    76    68  
   65    70    73  
   60    61    62    63    66  
   61    62  
   62  
    0  
   64    68    69    77    78    79    80    85    81    66    67  
   68    69    77    79    85    66  
   70    71    72    73    74    75    76  
   67    68    85  
    0  
   69    77    78    79    80    85    81    82    83    84  
   77    78    79    85    81  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    85    81    82    83    84  
   79    80    85    81    82    83    84  
   80    85    81    82    83    84  
   85    81  
   82    83    84    85  
   83    84  
   84  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    59   268.000  1.529
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    66   320.000  1.410
   63    64   340.000  1.090
   63    68   268.000  1.529
   63    85   320.000  1.410
   68    69   340.000  1.090
   68    77   268.000  1.529
   68    46   268.000  1.529
   77    78   340.000  1.090
   77    79   317.000  1.522
   77    81   268.000  1.529
   79    80   570.000  1.229
   79    85   214.000  1.327
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    57   214.000  1.327
   57    58   570.000  1.229
   57    65   320.000  1.462
   65    70   549.000  1.340
   65    73   317.000  1.510
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    68    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    59    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    63    58.35000  112.70000
   52    55    66    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    63    64    37.50000  110.70000
   55    63    68    58.35000  112.70000
   55    63    85    50.00000  109.50000
   55    66    67    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    77    58.35000  112.70000
   63    68    46    58.35000  112.70000
   63    85    79    83.00000  116.90000
   68    63    64    37.50000  110.70000
   68    77    78    37.50000  110.70000
   68    77    79    63.00000  111.10000
   68    77    81    58.35000  112.70000
   68    46    47    37.50000  110.70000
   68    46    54    50.00000  109.50000
   77    68    69    37.50000  110.70000
   77    79    80    80.00000  120.40000
   77    79    85    81.00000  111.40000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    84    37.50000  110.70000
   79    77    78    35.00000  109.50000
   85    63    64    35.00000  109.50000
   85    63    68    50.00000  109.50000
   85    79    80    83.00000  123.40000
   81    77    78    37.50000  110.70000
   81    77    79    63.00000  111.10000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   46    43    44    58.35000  112.70000
   46    68    69    37.50000  110.70000
   46    68    77    58.35000  112.70000
   46    54    57    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    57    58    83.00000  123.40000
   54    57    65    90.00000  111.29400
   57    65    70    65.00000  118.96000
   57    65    73    65.00000  116.34900
   65    57    58    80.00000  123.72100
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    70    71    35.00000  117.00000
   73    65    70    70.00000  124.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    55    56    35.00000  109.50000
   66    55    63    50.00000  109.50000
   59    52    53    37.50000  110.70000
   59    52    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    59   0.56750  1.0 1.0
   33    44    52    59  -0.07550 -1.0 2.0
   33    44    52    59   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    68  -0.95700  1.0 1.0
   41    43    46    68  -0.18200 -1.0 2.0
   41    43    46    68   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    59   0.56750  1.0 1.0
   43    44    52    59  -0.07550 -1.0 2.0
   43    44    52    59   0.20000  1.0 3.0
   43    46    54    57  -0.25900  1.0 1.0
   43    46    54    57  -0.47000 -1.0 2.0
   43    46    54    57   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    68   0.56750  1.0 1.0
   44    43    46    68  -0.07550 -1.0 2.0
   44    43    46    68   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    63   0.56750  1.0 1.0
   44    52    55    63  -0.07550 -1.0 2.0
   44    52    55    63   0.20000  1.0 3.0
   44    52    55    66   0.86500  1.0 1.0
   44    52    55    66  -0.17500 -1.0 2.0
   44    52    55    66   0.20800  1.0 3.0
   44    52    59    60   0.15000  1.0 3.0
   44    52    59    61   0.15000  1.0 3.0
   44    52    59    62   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    59   0.15000  1.0 3.0
   52    55    63    64   0.15000  1.0 3.0
   52    55    63    68   0.56750  1.0 1.0
   52    55    63    68  -0.07550 -1.0 2.0
   52    55    63    68   0.20000  1.0 3.0
   52    55    63    85   0.62750  1.0 1.0
   52    55    63    85  -0.30950 -1.0 2.0
   52    55    63    85   0.27300  1.0 3.0
   52    55    66    67  -0.11600  1.0 1.0
   52    55    66    67  -0.09450 -1.0 2.0
   52    55    66    67   0.21250  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    63   0.15000  1.0 3.0
   53    52    55    66   0.23400  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   55    52    59    60   0.15000  1.0 3.0
   55    52    59    61   0.15000  1.0 3.0
   55    52    59    62   0.15000  1.0 3.0
   55    63    68    69   0.15000  1.0 3.0
   55    63    68    77   0.56750  1.0 1.0
   55    63    68    77  -0.07550 -1.0 2.0
   55    63    68    77   0.20000  1.0 3.0
   55    63    68    46   0.56750  1.0 1.0
   55    63    68    46  -0.07550 -1.0 2.0
   55    63    68    46   0.20000  1.0 3.0
   55    63    85    79  -0.25900  1.0 1.0
   55    63    85    79  -0.47000 -1.0 2.0
   55    63    85    79   0.11750  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    68   0.15000  1.0 3.0
   56    55    63    85   0.23400  1.0 3.0
   56    55    66    67   0.19450  1.0 3.0
   63    55    66    67  -0.11600  1.0 1.0
   63    55    66    67  -0.09450 -1.0 2.0
   63    55    66    67   0.21250  1.0 3.0
   63    68    77    78   0.15000  1.0 3.0
   63    68   -77    79  -0.95700  1.0 1.0
   63    68   -77    79  -0.18200 -1.0 2.0
   63    68   -77    79   0.29450  1.0 3.0
   63    68    77    81   0.56750  1.0 1.0
   63    68    77    81  -0.07550 -1.0 2.0
   63    68    77    81   0.20000  1.0 3.0
   63    68    46    43   0.56750  1.0 1.0
   63    68    46    43  -0.07550 -1.0 2.0
   63    68    46    43   0.20000  1.0 3.0
   63    68    46    47   0.15000  1.0 3.0
   63    68    46    54   0.62750  1.0 1.0
   63    68    46    54  -0.30950 -1.0 2.0
   63    68    46    54   0.27300  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    77   0.15000  1.0 3.0
   64    63    68    46   0.15000  1.0 3.0
   64    63    85    79   0.08050  1.0 3.0
   68    63   -85    79  -0.25900  1.0 1.0
   68    63   -85    79  -0.47000 -1.0 2.0
   68    63   -85    79   0.11750  1.0 3.0
   68    77    79    80   0.30150 -1.0 2.0
   68    77   -79    85   0.36750  1.0 3.0
   68    77    81    82   0.15000  1.0 3.0
   68    77    81    83   0.15000  1.0 3.0
   68    77    81    84   0.15000  1.0 3.0
   68    46    54    57  -0.25900  1.0 1.0
   68    46    54    57  -0.47000 -1.0 2.0
   68    46    54    57   0.11750  1.0 3.0
   69    68    77    78   0.15000  1.0 3.0
   69    68    77    79  -0.11250  1.0 3.0
   69    68    77    81   0.15000  1.0 3.0
   69    68    46    43   0.15000  1.0 3.0
   69    68    46    47   0.15000  1.0 3.0
   69    68    46    54   0.23400  1.0 3.0
   77    68    46    43   0.56750  1.0 1.0
   77    68    46    43  -0.07550 -1.0 2.0
   77    68    46    43   0.20000  1.0 3.0
   77    68    46    47   0.15000  1.0 3.0
   77    68    46    54   0.62750  1.0 1.0
   77    68    46    54  -0.30950 -1.0 2.0
   77    68    46    54   0.27300  1.0 3.0
   77    79   -85    63   1.63150  1.0 1.0
   77    79   -85    63   2.92000 -1.0 2.0
   78    77    79    80   0.00000  1.0 1.0
   78    77    79    85   0.00000  1.0 1.0
   78    77    81    82   0.15000  1.0 3.0
   78    77    81    83   0.15000  1.0 3.0
   78    77    81    84   0.15000  1.0 3.0
   79    77    81    82  -0.11250  1.0 3.0
   79    77    81    83  -0.11250  1.0 3.0
   79    77    81    84  -0.11250  1.0 3.0
   80    79    85    63   3.00000 -1.0 2.0
   85    63    68    69   0.23400  1.0 3.0
   85    63   -68    77   0.62750  1.0 1.0
   85    63   -68    77  -0.30950 -1.0 2.0
   85    63   -68    77   0.27300  1.0 3.0
   85    63    68    46   0.62750  1.0 1.0
   85    63    68    46  -0.30950 -1.0 2.0
   85    63    68    46   0.27300  1.0 3.0
   81    77    79    80   0.30150 -1.0 2.0
   81    77    79    85   0.36750  1.0 3.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    68    77    78   0.15000  1.0 3.0
   46    68    77    79  -0.95700  1.0 1.0
   46    68    77    79  -0.18200 -1.0 2.0
   46    68    77    79   0.29450  1.0 3.0
   46    68    77    81   0.56750  1.0 1.0
   46    68    77    81  -0.07550 -1.0 2.0
   46    68    77    81   0.20000  1.0 3.0
   46    54    57    58   3.00000 -1.0 2.0
   46    54    57    65   2.00000 -1.0 2.0
   47    46    54    57   0.08050  1.0 3.0
   54    57    65    70  -0.56150  1.0 1.0
   54    57    65    70   2.19150 -1.0 2.0
   54    57    65    73  -0.15000  1.0 1.0
   54    57    65    73   0.89550 -1.0 2.0
   54    57    65    73  -0.06900  1.0 3.0
   57    65    70    71   7.00000 -1.0 2.0
   57    65    70    72   7.00000 -1.0 2.0
   57    65    73    74   0.15000  1.0 3.0
   57    65    73    75   0.15000  1.0 3.0
   57    65    73    76   0.15000  1.0 3.0
   58    57    65    70   1.00000 -1.0 2.0
   58    57    65    73  -0.64400  1.0 1.0
   58    57    65    73   0.26850 -1.0 2.0
   70    65    73    74   0.00000  1.0 1.0
   70    65    73    75   0.00000  1.0 1.0
   70    65    73    76   0.00000  1.0 1.0
   73    65    70    71   7.00000 -1.0 2.0
   73    65    70    72   7.00000 -1.0 2.0
   66    55    63    64   0.23400  1.0 3.0
   66    55    63    68   0.86500  1.0 1.0
   66    55    63    68  -0.17500 -1.0 2.0
   66    55    63    68   0.20800  1.0 3.0
   66    55    63    85   3.69350  1.0 1.0
   66    55    63    85  -1.82950 -1.0 2.0
   59    52    55    56   0.15000  1.0 3.0
   59    52    55    63   0.56750  1.0 1.0
   59    52    55    63  -0.07550 -1.0 2.0
   59    52    55    63   0.20000  1.0 3.0
   59    52    55    66   0.86500  1.0 1.0
   59    52    55    66  -0.17500 -1.0 2.0
   59    52    55    66   0.20800  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    68   0.56750  1.0 1.0
   48    43    46    68  -0.07550 -1.0 2.0
   48    43    46    68   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   77    85    79    80  10.50000 -1.0 2.0
   54    65    57    58  10.50000 -1.0 2.0
   57    73    65    70  15.00000 -1.0 2.0
   71    72    70    65  15.00000 -1.0 2.0
END
