* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    247     460
    1     0 S   NP   _N1_     1    28.50296    94.92210   -22.34000
    2     1 S   H    _HN1     2     1.02779    94.33801   -68.54972
    3     1 S   H    _H1_     3     1.02962    85.86037    39.54874
    4     1 S   H    _H2_     4     1.02837    30.98877   173.27133
    5     1 S   CT   _CA1     5     1.50115   140.97408   157.30046
    6     5 S   HC   _HA1     6     1.09576   105.24103    67.86848
    7     5 S   CO3  _C1_     7     1.53792   112.37823   -52.35081
    8     7 S   O2Z  _O11     8     1.26357   115.00611   -44.21418
    9     7 S   O2Z  _O12     9     1.26241   114.91616   134.97453
   10     5 S   CT   _CB1    10     1.53096   107.43427  -174.22813
   11    10 S   HC   HB11    11     1.09823   109.34783   -50.93898
   12    10 S   HC   HB12    12     1.09821   110.40798    65.61261
   13    10 S   CT   _CG1    13     1.53003   112.66550  -172.06007
   14    13 S   HC   HG11    14     1.09606   110.40317   -63.23563
   15    13 S   HC   HG12    15     1.09647   110.03200    55.98793
   16    13 S   C    _CD1    16     1.51807   112.32483   176.34371
   17    16 S   O    _OE1    17     1.22716   123.28186    -3.91347
   18    16 S   N    _N2_    18     1.38613   111.59863   176.27564
   19    18 S   H    _HN2    19     1.01588   118.99942     1.41333
   20    18 S   CT1  _CA2    20     1.46224   123.42783  -178.94891
   21    20 S   HC   _HA2    21     1.09733   109.45709    -9.93510
   22    20 S   C    _C2_    22     1.53432   108.27605  -125.62956
   23    22 S   O    _O2_    23     1.23016   122.23761  -145.07255
   24    20 S   CT   _CB2    32     1.53579   111.34304   112.20387
   25    24 S   HC   HB21    33     1.09289   109.08887    55.74155
   26    24 S   HC   HB22    34     1.09464   109.84840   174.46395
   27    22 S   N    _N3_    24     1.38505   113.38427    42.22975
   28    27 S   H    _HN3    25     1.01520   118.93205    -0.55249
   29    24 S   S    _SG2    35     1.82912   111.22067   -66.21885
   30    27 S   CT   _CA3    26     1.45454   123.45426   175.14106
   31    30 S   HC   HA31    27     1.09522   109.24883    24.19270
   32    30 S   HC   HA32    28     1.09496   107.11851   141.19962
   33    29 S   CT   _C19    36     1.91118   103.67234   167.80180
   34    30 S   CO3  _C3_    29     1.52925   113.10361   -99.29192
   35    34 S   O2Z  _O31    30     1.26403   115.39945   -44.52410
   36    34 S   O2Z  _O32    31     1.26355   114.98489   136.40394
   37    33 S   CM   _C12    37     1.56709   102.51197   147.34593
   38    33 S   CT   _C14    68     1.53463   110.10896    28.97387
   39    38 S   HC   _H28    69     1.09644   111.89858    53.52702
   40    38 S   HC   _H29    70     1.09444   113.28966   -66.93567
   41    37 S   CM   _C11    38     1.35549   122.23840   103.05785
   42    37 S   CT   _C21    79     1.51765   116.70883   -76.20909
   43    42 S   HC   _H38    80     1.09404   110.47165   -85.50646
   44    42 S   HC   _H39    81     1.09381   112.61175   153.04500
   45    42 S   HC   _H40    82     1.09419   111.70321    35.17752
   46    41 S   CT   _C15    39     1.50818   122.85593    -4.00717
   47    46 S   HC   _H30    40     1.09679   108.69805   114.55547
   48    46 S   HC   _H31    41     1.09738   109.29668  -129.63639
   49    41 S   CT   _C20    75     1.50893   124.52103   175.62856
   50    49 S   HC   _H35    76     1.09453   110.14057   103.75321
   51    49 S   HC   _H36    77     1.09269   113.49287   -18.38322
   52    49 S   HC   _H37    78     1.09595   110.14759  -136.94408
   53    46 S   CT   _C16    42     1.52359   114.33905    -8.35261
   54    53 S   HC   _H32    43     1.09332   109.08456   169.43782
   55    53 S   HC   _H33    44     1.09762   108.48256   -78.80317
   56    33 S   CT   _C18    45     1.59826   112.60381   -92.46991
   57    56 S   CA   _C5_    46     1.56293   111.24214   170.98947
   58    56 S   CT   _C23    71     1.55158   113.02462    51.76122
   59    58 S   HC   _H44    72     1.09388   112.29161   -61.01455
   60    58 S   HC   _H45    73     1.09583   111.84466  -179.47437
   61    58 S   HC   _H46    74     1.09466   112.03580    61.33423
   62    57 S   CA   _C4_    47     1.42783   121.49325   -16.06261
   63    62 S   CA   _C8_    48     1.41492   121.18382   176.97606
   64    62 S   CO4  _C10    66     1.48669   120.12513    -4.99732
   65    64 S   O    _O21    67     1.22813   121.23409   174.77213
   66    63 S   CA   _C6_    49     1.37896   119.42663     2.30291
   67    63 S   OH   _O23    64     1.36682   124.21470  -178.23453
   68    67 S   HO   _H47    65     0.97344   109.08967     1.46727
   69    66 S   CA   _C7_    50     1.37511   120.08004     0.21122
   70    57 S   CA   _C9_    51     1.41617   121.72602   164.82448
   71    69 S   OS   _O22    54     1.37237   113.77479   179.11309
   72    70 S   OH   _O24    52     1.36593   121.80876     3.52042
   73    72 S   HO   _H48    53     0.97386   108.16492   179.75292
   74    71 S   CT   _C17    55     1.45094   104.66926    -8.96839
   75    74 S   HC   _H34    56     1.09650   107.96293   135.91413
   76    66 S   CT   _C13    57     1.48017   130.18996  -177.95426
   77    76 S   HC   _H26    58     1.09356   113.58532   -49.45782
   78    76 S   HC   _H27    59     1.09525   109.79712    73.67849
   79    74 S   CT   _C22    60     1.52647   108.44779  -106.61674
   80    79 S   HC   _H41    61     1.09553   111.33543    60.69702
   81    79 S   HC   _H42    62     1.09530   110.24711   -57.47607
   82    79 S   HC   _H43    63     1.09415   111.13501  -178.00365
  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  12   5   4   3
  24   2   1   1  20  12   5   4  15   6   2   1   1  12   6   5
   4   2   1   1  10   4   3  11  15   5   2   1   1  10  12   4
   1  12   3   1  10   5  10   1   1   8   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    56    57    64    38    39    40    58    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    53    54    55    56    57    62    70    64    65    38    39    40    58    59    60    61    49    42    43    44    45  
   35    36  
   36  
    0  
   41    46    47    48    53    56    57    64    38    39    40    58    49    50    51    52    42    43    44    45  
   39    40    58    42    41    53    56    57    62    63    64    65  
   40    56    62    64    65  
   56    62    64    65  
   46    47    48    53    54    55    56    49    50    51    52    42    43    44    45  
   43    44    45    46    49    56  
   44    45  
   45  
    0  
   47    48    53    54    55    56    57    58    49    50    51    52  
   48    53    54    55    56    49  
   53    54    55    56    49  
   50    51    52    53  
   51    52  
   52  
    0  
   54    55    56    57    62    70    58    59    60    61  
   55    56    57    58  
   56    57    58  
   57    62    63    69    70    72    64    58    59    60    61  
   62    63    66    69    70    72    73    71    67    64    65    58    59    60    61  
   59    60    61    62    70  
   60    61  
   61  
    0  
   63    66    69    70    72    76    67    68    64    65  
   66    69    70    71    74    76    77    78    67    68    64    65  
   65    66    67    70  
    0  
   69    70    72    71    74    75    76    77    78    79    67    68  
   68    69    76  
    0  
   70    72    73    71    74    75    76    77    78    79  
   72    73    71    74    76  
   74    75    76    77    78    79    80    81    82    72  
   73  
    0  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.005000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    56   268.000  1.529
   33    38   268.000  1.529
   37    41   549.000  1.340
   37    42   317.000  1.510
   41    46   317.000  1.510
   41    49   317.000  1.510
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   317.000  1.510
   56    58   268.000  1.529
   57    62   469.000  1.400
   57    70   469.000  1.400
   62    63   469.000  1.400
   62    64   310.000  1.470
   63    66   469.000  1.400
   63    67   450.000  1.364
   66    69   469.000  1.400
   66    76   317.000  1.510
   69    70   469.000  1.400
   69    71   450.000  1.364
   70    72   450.000  1.364
   72    73   553.000  0.945
   71    74   320.000  1.410
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   553.000  0.945
   64    65   570.000  1.229
   64    38   317.000  1.522
   38    39   340.000  1.090
   38    40   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    56    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    56    53    58.35000  112.70000
   33    56    57    70.00000  112.17500
   33    56    58    58.35000  112.70000
   33    38    64    63.00000  111.10000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    46    70.00000  124.00000
   37    41    49    70.00000  124.00000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   41    46    47    35.00000  109.50000
   41    46    48    35.00000  109.50000
   41    46    53    70.00000  112.02700
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    35.00000  109.50000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    48    37.50000  110.70000
   53    56    57    70.00000  112.17500
   53    56    58    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    33    37    70.00000  112.02700
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    57    62    70.00000  120.00000
   56    57    70    70.00000  120.00000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    37.50000  110.70000
   57    62    63    63.00000  120.00000
   57    62    64    60.00000  119.52600
   57    70    69    63.00000  120.00000
   57    70    72    70.00000  120.00000
   62    63    66    63.00000  120.00000
   62    63    67    70.00000  120.00000
   62    64    65    75.00000  123.78400
   62    64    38    65.00000  115.47100
   63    66    69    63.00000  120.00000
   63    66    76    70.00000  120.00000
   63    67    68    35.00000  113.00000
   66    69    70    63.00000  120.00000
   66    69    71    70.00000  120.00000
   66    76    74    70.00000  112.17500
   66    76    77    35.00000  109.50000
   66    76    78    35.00000  109.50000
   69    70    72    70.00000  120.00000
   69    71    74    75.00000  111.00000
   70    57    62    63.00000  120.00000
   70    72    73    35.00000  113.00000
   71    69    70    70.00000  120.00000
   71    74    75    35.00000  109.50000
   71    74    76    50.00000  109.50000
   71    74    79    50.00000  109.50000
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    79    80    37.50000  110.70000
   74    79    81    37.50000  110.70000
   74    79    82    37.50000  110.70000
   76    66    69    70.00000  120.00000
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    74    75    37.50000  110.70000
   79    74    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   67    63    66    70.00000  120.00000
   64    62    63    60.00000  119.52600
   64    38    39    35.00000  109.50000
   64    38    40    35.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    56    58.35000  112.70000
   38    64    65    80.00000  120.40000
   40    38    39    33.00000  107.80000
   58    56    57    70.00000  112.17500
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   49    41    46    65.00000  117.92700
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   42    37    41    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    56    53   0.44750  1.0 1.0
   29    33    56    53  -0.17800 -1.0 2.0
   29    33    56    53   0.20200  1.0 3.0
   29    33    56    57   0.56750  1.0 1.0
   29    33    56    57  -0.07550 -1.0 2.0
   29    33    56    57   0.20000  1.0 3.0
   29    33    56    58   0.44750  1.0 1.0
   29    33    56    58  -0.17800 -1.0 2.0
   29    33    56    58   0.20200  1.0 3.0
   29    33    38    64   0.56750  1.0 1.0
   29    33    38    64  -0.07550 -1.0 2.0
   29    33    38    64   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    46   7.00000 -1.0 2.0
   33    37    41    49   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    56    57    62   0.04150 -1.0 2.0
   33    56    57    70   0.04150 -1.0 2.0
   33    56    58    59   0.15000  1.0 3.0
   33    56    58    60   0.15000  1.0 3.0
   33    56    58    61   0.15000  1.0 3.0
   37    33    56    53   0.34400  1.0 1.0
   37    33    56    53   0.09450 -1.0 2.0
   37    33    56    53   0.11100  1.0 3.0
   37    33    56    57   0.21200  1.0 1.0
   37    33    56    57   0.16900 -1.0 2.0
   37    33    56    57  -1.15100  1.0 3.0
   37    33    56    58   0.34400  1.0 1.0
   37    33    56    58   0.09450 -1.0 2.0
   37    33    56    58   0.11100  1.0 3.0
   37    33    38    64  -0.98800  1.0 1.0
   37    33    38    64   0.48800 -1.0 2.0
   37    33    38    64   0.76800  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    46    47   0.00000  1.0 1.0
   37    41    46    48   0.00000  1.0 1.0
   37    41   -46    53   0.09850  1.0 1.0
   37    41   -46    53   0.15250 -1.0 2.0
   37    41   -46    53  -0.50650  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41    49    52   0.00000  1.0 1.0
   41    37    42    43   0.00000  1.0 1.0
   41    37    42    44   0.00000  1.0 1.0
   41    37    42    45   0.00000  1.0 1.0
   41    46    53    54   0.15000  1.0 3.0
   41    46    53    55   0.15000  1.0 3.0
   41    46    53    56   0.34400  1.0 1.0
   41    46    53    56   0.09450 -1.0 2.0
   41    46    53    56   0.11100  1.0 3.0
   46    41    49    50   0.34800  1.0 3.0
   46    41    49    51   0.34800  1.0 3.0
   46    41    49    52   0.34800  1.0 3.0
   46    53   -56    33   0.56750  1.0 1.0
   46    53   -56    33  -0.07550 -1.0 2.0
   46    53   -56    33   0.20000  1.0 3.0
   46    53    56    57  -0.03700  1.0 1.0
   46    53    56    57   0.37200 -1.0 2.0
   46    53    56    57  -0.47300  1.0 3.0
   46    53    56    58   0.56750  1.0 1.0
   46    53    56    58  -0.07550 -1.0 2.0
   46    53    56    58   0.20000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   48    46    53    54   0.15000  1.0 3.0
   48    46    53    55   0.15000  1.0 3.0
   48    46    53    56   0.15000  1.0 3.0
   53    56    57    62   0.04150 -1.0 2.0
   53    56    57    70   0.04150 -1.0 2.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.15000  1.0 3.0
   53    56    58    61   0.15000  1.0 3.0
   54    53    56    33   0.15000  1.0 3.0
   54    53    56    57   0.43200  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   55    53    56    33   0.15000  1.0 3.0
   55    53    56    57   0.43200  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   56    33   -37    41   0.09850  1.0 1.0
   56    33   -37    41   0.15250 -1.0 2.0
   56    33   -37    41  -0.50650  1.0 3.0
   56    33    37    42   0.46850  1.0 1.0
   56    33    37    42   0.08550 -1.0 2.0
   56    33    37    42   0.09800  1.0 3.0
   56    33    38    64  -0.95700  1.0 1.0
   56    33    38    64  -0.18200 -1.0 2.0
   56    33    38    64   0.29450  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33    38    40   0.15000  1.0 3.0
   56    57    62    63   3.62500 -1.0 2.0
   56    57   -62    64   3.62500 -1.0 2.0
   56    57    70    69   3.62500 -1.0 2.0
   56    57    70    72   3.62500 -1.0 2.0
   57    56    58    59   0.43200  1.0 3.0
   57    56    58    60   0.43200  1.0 3.0
   57    56    58    61   0.43200  1.0 3.0
   57    62    63    66   3.62500 -1.0 2.0
   57    62    63    67   3.62500 -1.0 2.0
   57    62    64    65   1.05000 -1.0 2.0
   57    62    64    38   2.26350  1.0 1.0
   57    62    64    38   0.76750 -1.0 2.0
   57    62    64    38   0.22500  1.0 3.0
   57    70    72    73   0.84100 -1.0 2.0
   62    57    70    69   3.62500 -1.0 2.0
   62    57    70    72   3.62500 -1.0 2.0
   62    63   -66    69   3.62500 -1.0 2.0
   62    63    66    76   3.62500 -1.0 2.0
   62    63    67    68   0.84100 -1.0 2.0
   62    64   -38    33   0.05850 -1.0 2.0
   62    64   -38    33   0.17250  1.0 3.0
   62    64    38    39   0.00000  1.0 1.0
   62    64    38    40   0.00000  1.0 1.0
   63    62    64    65   1.05000 -1.0 2.0
   63    62    64    38   2.26350  1.0 1.0
   63    62    64    38   0.76750 -1.0 2.0
   63    62    64    38   0.22500  1.0 3.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66    69    71   3.62500 -1.0 2.0
   63    66    76    74   0.04150 -1.0 2.0
   63    66    76    77   0.00000  1.0 1.0
   63    66    76    78   0.00000  1.0 1.0
   66    63    67    68   0.84100 -1.0 2.0
   66    69   -70    57   3.62500 -1.0 2.0
   66    69    70    72   3.62500 -1.0 2.0
   66    69   -71    74   1.63200 -1.0 2.0
   69    66   -76    74   0.04150 -1.0 2.0
   69    66    76    77   0.00000  1.0 1.0
   69    66    76    78   0.00000  1.0 1.0
   69    70    72    73   0.84100 -1.0 2.0
   69    71    74    75   0.08050  1.0 3.0
   69    71   -74    76  -0.32850  1.0 1.0
   69    71   -74    76  -0.35800 -1.0 2.0
   69    71   -74    76   0.33950  1.0 3.0
   69    71    74    79  -0.32850  1.0 1.0
   69    71    74    79  -0.35800 -1.0 2.0
   69    71    74    79   0.33950  1.0 3.0
   70    57   -62    63   3.62500 -1.0 2.0
   70    57    62    64   3.62500 -1.0 2.0
   70    69    71    74   1.63200 -1.0 2.0
   71    69    70    57   3.62500 -1.0 2.0
   71    69    70    72   3.62500 -1.0 2.0
   71    74   -76    66  -0.64350  1.0 1.0
   71    74   -76    66  -0.04200 -1.0 2.0
   71    74   -76    66   0.19800  1.0 3.0
   71    74    76    77   0.23400  1.0 3.0
   71    74    76    78   0.23400  1.0 3.0
   71    74    79    80   0.23400  1.0 3.0
   71    74    79    81   0.23400  1.0 3.0
   71    74    79    82   0.23400  1.0 3.0
   75    74    76    66   0.43200  1.0 3.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    79    80   0.15000  1.0 3.0
   75    74    79    81   0.15000  1.0 3.0
   75    74    79    82   0.15000  1.0 3.0
   76    66    69    70   3.62500 -1.0 2.0
   76    66   -69    71   3.62500 -1.0 2.0
   76    74    79    80   0.15000  1.0 3.0
   76    74    79    81   0.15000  1.0 3.0
   76    74    79    82   0.15000  1.0 3.0
   79    74    76    66  -0.03700  1.0 1.0
   79    74    76    66   0.37200 -1.0 2.0
   79    74    76    66  -0.47300  1.0 3.0
   79    74    76    77   0.15000  1.0 3.0
   79    74    76    78   0.15000  1.0 3.0
   67    63    66    69   3.62500 -1.0 2.0
   67    63    66    76   3.62500 -1.0 2.0
   64    62    63    66   3.62500 -1.0 2.0
   64    62    63    67   3.62500 -1.0 2.0
   65    64    38    33   0.30150 -1.0 2.0
   65    64    38    39   0.00000  1.0 1.0
   65    64    38    40   0.00000  1.0 1.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    56    53   0.56750  1.0 1.0
   38    33    56    53  -0.07550 -1.0 2.0
   38    33    56    53   0.20000  1.0 3.0
   38    33   -56    57  -0.03700  1.0 1.0
   38    33   -56    57   0.37200 -1.0 2.0
   38    33   -56    57  -0.47300  1.0 3.0
   38    33    56    58   0.56750  1.0 1.0
   38    33    56    58  -0.07550 -1.0 2.0
   38    33    56    58   0.20000  1.0 3.0
   58    56    57    62   0.04150 -1.0 2.0
   58    56    57    70   0.04150 -1.0 2.0
   49    41    46    47   0.34800  1.0 3.0
   49    41    46    48   0.34800  1.0 3.0
   49    41    46    53   0.46850  1.0 1.0
   49    41    46    53   0.08550 -1.0 2.0
   49    41    46    53   0.09800  1.0 3.0
   42    37    41    46   7.00000 -1.0 2.0
   42    37    41    49   7.00000 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    41   1.10000 -1.0 2.0
   46    49    41    37   1.10000 -1.0 2.0
   62    70    57    56   4.00000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   66    67    63    62   4.00000 -1.0 2.0
   69    76    66    63   4.00000 -1.0 2.0
   70    71    69    66   4.00000 -1.0 2.0
   69    72    70    57   4.00000 -1.0 2.0
   62    38    64    65  10.50000 -1.0 2.0
END
