* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    159    248     469
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078   105.86565   -26.39069
    3     1 S   H    _H1_     3     1.02104    63.43322    76.94181
    4     1 S   H    _H2_     4     1.02070    48.99345  -127.56792
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08639   110.48971    58.92616
   26    24 S   HC   HB22    34     1.08603   109.84388   179.00397
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.80129    98.79222   -78.14823
   34    33 S   HC   _H3_    37     1.08264   110.26401   -60.79700
   35    33 S   HC   _H4_    38     1.08200   110.27022    60.73448
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C17    39     1.55328   109.47778  -180.00000
   40    39 S   OM   _O20    40     1.31701   104.32330   -59.76797
   41    39 S   CT   _C13    41     1.53708   111.34648    60.30784
   42    41 S   HC   _H34    42     1.09633   113.09227   -47.91538
   43    41 S   CT   _C11    43     1.53887   103.67137    72.09867
   44    43 S   HC   _H31    44     1.09398   111.63612   151.31892
   45    43 S   HC   _H32    45     1.09600   110.77570   -88.81346
   46    41 S   OS   _O23    60     1.43874   111.07624  -168.03567
   47    43 S   CT   _C14    46     1.54591   104.65205    30.71204
   48    47 S   HC   _H35    47     1.08938   109.23405   124.72807
   49    39 S   CT   _C16    48     1.58488   116.00663   171.61054
   50    47 S   OS   _O24    73     1.42351   108.95115  -120.63973
   51    49 S   CT   _C15    49     1.62731   112.53910   176.76342
   52    49 S   CT   _C21    69     1.53979   112.60840    49.47837
   53    52 S   HC   _H45    70     1.08371   109.18713    68.39592
   54    52 S   HC   _H46    71     1.08431   109.15500   -51.63385
   55    52 S   HC   _H47    72     1.08484   109.16607  -171.59356
   56    50 S   CO4  _C9_    74     1.36424   115.69498   -87.16073
   57    56 S   O    _O22    75     1.22058   126.74228     0.08623
   58    51 S   CT   _C10    50     1.55594   113.44171   -71.88683
   59    58 S   HC   _H29    51     1.08775   114.13564    51.08082
   60    58 S   HC   _H30    52     1.09653   109.83081   -69.05896
   61    51 S   CT   _C20    65     1.56710   111.30304   170.67629
   62    61 S   HC   _H42    66     1.07568   107.87759   -57.20606
   63    61 S   HC   _H43    67     1.07664   107.77493  -177.23388
   64    61 S   HC   _H44    68     1.07593   107.82018    62.79424
   65    56 S   CM   _C7_    76     1.47927   107.86060  -179.94766
   66    65 S   HC   _H27    77     1.08474   118.65297    59.98136
   67    58 S   CO4  _C6_    53     1.51685   113.70845   170.68692
   68    67 S   O    _O21    54     1.23065   120.83188   147.07900
   69    65 S   CM   _C8_    78     1.33926   119.96603  -120.01963
   70    69 S   HC   _H28    79     1.08704   120.62975  -180.00000
   71    67 S   CM   _C5_    55     1.48836   118.51342   -36.76275
   72    69 S   CT   _C19    80     1.49378   123.35537     0.01978
   73    72 S   HC   _H39    81     1.09460   109.89987   -90.01051
   74    72 S   HC   _H40    82     1.09489   112.32075   149.55462
   75    72 S   HC   _H41    83     1.09427   109.88565    29.09264
   76    71 S   CM   _C4_    56     1.33935   118.76221    10.21947
   77    76 S   HC   _H26    57     1.08870   118.38736  -178.72774
   78    71 S   CT   _C18    61     1.49513   117.78263  -169.47842
   79    78 S   HC   _H36    62     1.08926   109.70517   -90.31762
   80    78 S   HC   _H37    63     1.08947   109.72521   149.52515
   81    78 S   HC   _H38    64     1.08940   109.72781    29.85010
   82    51 S   CT   _C12    58     1.55976   108.90025    51.46590
   83    82 S   HC   _H33    59     1.09745   108.78189    81.69214
  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   7   5   4   3
  12   5   4   2   1   1  19   8  14   7  11   6   5  10  14   5
  18   7  18   6   2   1   1   6   3  13   6   5   7   3   2   1
   7   3   9   3   5   4   8   3   2   1   1   7   3   4   2   1
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    49    51    46    52  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49    51    58    82    46    61    52    53    54    55    50  
   41    42    43    47    49    51    46    52  
   42    43    44    45    47    48    49    51    76    82    83    46    52    50  
   43    44    45    47    49    82    46  
   44    45    47    48    49    51    82    46    52    50    56  
   45    47    48    49    46    50  
   47    48    49    46    50  
   61    47    49    51    58    71    76    77    82    83  
   48    49    51    58    82    61    52    53    54    55    50    56    57    65  
   49    51    52    50    56  
   51    58    59    60    67    76    82    83    61    62    63    64    52    53    54    55    50    56  
   56    57    65    66    69    51    52  
   58    59    60    67    68    71    76    77    82    83    61    62    63    64    52    53    54    55  
   53    54    55    58    61    82  
   54    55  
   55  
    0  
   57    65    66    69    70    72  
   65    66    69  
   59    60    67    68    71    76    82    83    78    61    62    63    64  
   60    67    68    71    82    61  
   67    68    71    82    61  
   62    63    64    67    76    82    83  
   63    64    82  
   64    82  
   82  
   66    69    70    72    73    74    75  
   69    70    72  
   68    71    76    77    82    78    79    80    81  
   71    76    78  
   70    72    73    74    75  
   72    73    74    75  
   76    77    82    83    78    79    80    81  
   73    74    75  
   74    75  
   75  
    0  
   77    82    83    78    79    80    81  
   82    83    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.030000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    49   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    58   268.000  1.529
   51    82   268.000  1.529
   51    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   317.000  1.522
   67    68   570.000  1.229
   67    71   320.000  1.462
   71    76   549.000  1.340
   71    78   317.000  1.510
   76    77   340.000  1.080
   76    82   317.000  1.510
   82    83   340.000  1.090
   82    46   320.000  1.410
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   50    56   214.000  1.327
   56    57   570.000  1.229
   56    65   320.000  1.462
   65    66   340.000  1.080
   65    69   549.000  1.340
   69    70   340.000  1.080
   69    72   317.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    49    47    58.35000  112.70000
   39    49    51    58.35000  112.70000
   39    49    52    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    82    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50    56    83.00000  116.90000
   49    39    40    50.00000  109.50000
   49    39    41    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    51    82    58.35000  112.70000
   49    51    61    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    67    63.00000  111.10000
   51    82    76    70.00000  112.02700
   51    82    83    37.50000  110.70000
   51    82    46    50.00000  109.50000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   58    67    68    80.00000  120.40000
   58    67    71    65.00000  118.62400
   60    58    59    33.00000  107.80000
   67    58    59    35.00000  109.50000
   67    58    60    35.00000  109.50000
   67    71    76    65.00000  118.96000
   67    71    78    65.00000  116.34900
   71    67    68    80.00000  123.72100
   71    76    77    35.00000  120.00000
   71    76    82    70.00000  124.00000
   71    78    79    35.00000  109.50000
   71    78    80    35.00000  109.50000
   71    78    81    35.00000  109.50000
   76    82    83    35.00000  109.50000
   76    82    46    85.00000  110.90400
   82    51    58    58.35000  112.70000
   82    76    77    35.00000  117.00000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    82    83    35.00000  109.50000
   78    71    76    70.00000  124.00000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    51    58    58.35000  112.70000
   61    51    82    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50    56    57    83.00000  123.40000
   50    56    65    90.00000  111.29400
   56    65    66    40.00000  117.72500
   56    65    69    65.00000  118.96000
   65    56    57    80.00000  123.72100
   65    69    70    35.00000  120.00000
   65    69    72    70.00000  124.00000
   69    65    66    35.00000  120.00000
   69    72    73    35.00000  109.50000
   69    72    74    35.00000  109.50000
   69    72    75    35.00000  109.50000
   72    69    70    35.00000  117.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    46   0.62750  1.0 1.0
   33    39    41    46  -0.30950 -1.0 2.0
   33    39    41    46   0.27300  1.0 3.0
   33    39    49    47   0.56750  1.0 1.0
   33    39    49    47  -0.07550 -1.0 2.0
   33    39    49    47   0.20000  1.0 3.0
   33    39    49    51   0.56750  1.0 1.0
   33    39    49    51  -0.07550 -1.0 2.0
   33    39    49    51   0.20000  1.0 3.0
   33    39    49    52   0.56750  1.0 1.0
   33    39    49    52  -0.07550 -1.0 2.0
   33    39    49    52   0.20000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.23400  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    45   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    46    82   0.06250  1.0 1.0
   39    41    46    82  -0.01100 -1.0 2.0
   39    41    46    82   0.28050  1.0 3.0
   39    49    51    58   0.56750  1.0 1.0
   39    49    51    58  -0.07550 -1.0 2.0
   39    49    51    58   0.20000  1.0 3.0
   39    49   -51    82   0.56750  1.0 1.0
   39    49   -51    82  -0.07550 -1.0 2.0
   39    49   -51    82   0.20000  1.0 3.0
   39    49    51    61   0.56750  1.0 1.0
   39    49    51    61  -0.07550 -1.0 2.0
   39    49    51    61   0.20000  1.0 3.0
   39    49    52    53   0.15000  1.0 3.0
   39    49    52    54   0.15000  1.0 3.0
   39    49    52    55   0.15000  1.0 3.0
   40    39    41    42   0.23400  1.0 3.0
   40    39    41    43   0.62750  1.0 1.0
   40    39    41    43  -0.30950 -1.0 2.0
   40    39    41    43   0.27300  1.0 3.0
   40    39    41    46   1.11900  1.0 1.0
   40    39    41    46  -1.16350 -1.0 2.0
   40    39    41    46  -0.34150  1.0 3.0
   40    39    49    47   0.62750  1.0 1.0
   40    39    49    47  -0.30950 -1.0 2.0
   40    39    49    47   0.27300  1.0 3.0
   40    39    49    51   0.62750  1.0 1.0
   40    39    49    51  -0.30950 -1.0 2.0
   40    39    49    51   0.27300  1.0 3.0
   40    39    49    52   0.62750  1.0 1.0
   40    39    49    52  -0.30950 -1.0 2.0
   40    39    49    52   0.27300  1.0 3.0
   41    39   -49    47   0.56750  1.0 1.0
   41    39   -49    47  -0.07550 -1.0 2.0
   41    39   -49    47   0.20000  1.0 3.0
   41    39    49    51   0.56750  1.0 1.0
   41    39    49    51  -0.07550 -1.0 2.0
   41    39    49    51   0.20000  1.0 3.0
   41    39    49    52   0.56750  1.0 1.0
   41    39    49    52  -0.07550 -1.0 2.0
   41    39    49    52   0.20000  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    49   0.56750  1.0 1.0
   41    43   -47    49  -0.07550 -1.0 2.0
   41    43   -47    49   0.20000  1.0 3.0
   41    43    47    50   0.62750  1.0 1.0
   41    43    47    50  -0.30950 -1.0 2.0
   41    43    47    50   0.27300  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    46    82   0.37050  1.0 3.0
   43    41    46    82   0.06250  1.0 1.0
   43    41    46    82  -0.01100 -1.0 2.0
   43    41    46    82   0.28050  1.0 3.0
   43    47   -49    39   0.56750  1.0 1.0
   43    47   -49    39  -0.07550 -1.0 2.0
   43    47   -49    39   0.20000  1.0 3.0
   43    47    49    51   0.56750  1.0 1.0
   43    47    49    51  -0.07550 -1.0 2.0
   43    47    49    51   0.20000  1.0 3.0
   43    47    49    52   0.56750  1.0 1.0
   43    47    49    52  -0.07550 -1.0 2.0
   43    47    49    52   0.20000  1.0 3.0
   43    47    50    56  -0.25900  1.0 1.0
   43    47    50    56  -0.47000 -1.0 2.0
   43    47    50    56   0.11750  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.23400  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.23400  1.0 3.0
   47    49    51    58   0.56750  1.0 1.0
   47    49    51    58  -0.07550 -1.0 2.0
   47    49    51    58   0.20000  1.0 3.0
   47    49    51    82   0.56750  1.0 1.0
   47    49    51    82  -0.07550 -1.0 2.0
   47    49    51    82   0.20000  1.0 3.0
   47    49    51    61   0.56750  1.0 1.0
   47    49    51    61  -0.07550 -1.0 2.0
   47    49    51    61   0.20000  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    54   0.15000  1.0 3.0
   47    49    52    55   0.15000  1.0 3.0
   47    50    56    57   3.00000 -1.0 2.0
   47    50    56    65   2.00000 -1.0 2.0
   48    47    49    39   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    50    56   0.08050  1.0 3.0
   49    39    41    42   0.15000  1.0 3.0
   49    39   -41    43   0.56750  1.0 1.0
   49    39   -41    43  -0.07550 -1.0 2.0
   49    39   -41    43   0.20000  1.0 3.0
   49    39    41    46   0.62750  1.0 1.0
   49    39    41    46  -0.30950 -1.0 2.0
   49    39    41    46   0.27300  1.0 3.0
   49    47    50    56  -0.25900  1.0 1.0
   49    47    50    56  -0.47000 -1.0 2.0
   49    47    50    56   0.11750  1.0 3.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.15000  1.0 3.0
   49    51    58    67  -0.95700  1.0 1.0
   49    51    58    67  -0.18200 -1.0 2.0
   49    51    58    67   0.29450  1.0 3.0
   49    51    82    76   0.34400  1.0 1.0
   49    51    82    76   0.09450 -1.0 2.0
   49    51    82    76   0.11100  1.0 3.0
   49    51    82    83   0.15000  1.0 3.0
   49    51   -82    46   0.62750  1.0 1.0
   49    51   -82    46  -0.30950 -1.0 2.0
   49    51   -82    46   0.27300  1.0 3.0
   49    51    61    62   0.15000  1.0 3.0
   49    51    61    63   0.15000  1.0 3.0
   49    51    61    64   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   51    58    67    68   0.30150 -1.0 2.0
   51    58    67    71   0.65300  1.0 1.0
   51    58    67    71  -0.03850 -1.0 2.0
   51    58    67    71   0.33900  1.0 3.0
   51    82   -46    41   0.06250  1.0 1.0
   51    82   -46    41  -0.01100 -1.0 2.0
   51    82   -46    41   0.28050  1.0 3.0
   58    51    82    76   0.34400  1.0 1.0
   58    51    82    76   0.09450 -1.0 2.0
   58    51    82    76   0.11100  1.0 3.0
   58    51    82    83   0.15000  1.0 3.0
   58    51    82    46   0.62750  1.0 1.0
   58    51    82    46  -0.30950 -1.0 2.0
   58    51    82    46   0.27300  1.0 3.0
   58    51    61    62   0.15000  1.0 3.0
   58    51    61    63   0.15000  1.0 3.0
   58    51    61    64   0.15000  1.0 3.0
   58    67   -71    76  -0.33500  1.0 1.0
   58    67   -71    76   1.06600 -1.0 2.0
   58    67   -71    76  -0.14000  1.0 3.0
   58    67    71    78   0.25700  1.0 1.0
   58    67    71    78   0.66200 -1.0 2.0
   58    67    71    78   0.04450  1.0 3.0
   59    58    67    68   0.00000  1.0 1.0
   59    58    67    71   0.00000  1.0 1.0
   60    58    67    68   0.00000  1.0 1.0
   60    58    67    71   0.00000  1.0 1.0
   67    71    76    77   7.00000 -1.0 2.0
   67    71    76    82   7.00000 -1.0 2.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71    78    81   0.15000  1.0 3.0
   68    67    71    76   1.00000 -1.0 2.0
   68    67    71    78  -0.64400  1.0 1.0
   68    67    71    78   0.26850 -1.0 2.0
   71    76   -82    51   0.09850  1.0 1.0
   71    76   -82    51   0.15250 -1.0 2.0
   71    76   -82    51  -0.50650  1.0 3.0
   71    76    82    83   0.00000  1.0 1.0
   71    76    82    46   0.39000  1.0 1.0
   71    76    82    46  -0.05800 -1.0 2.0
   71    76    82    46  -0.55150  1.0 3.0
   76    71    78    79   0.00000  1.0 1.0
   76    71    78    80   0.00000  1.0 1.0
   76    71    78    81   0.00000  1.0 1.0
   76    82    46    41  -0.77900  1.0 1.0
   76    82    46    41  -0.36900 -1.0 2.0
   76    82    46    41   0.40400  1.0 3.0
   77    76    82    51   0.00000  1.0 1.0
   77    76    82    83   0.33100  1.0 3.0
   77    76    82    46   0.00000  1.0 1.0
   82    51    58    59   0.15000  1.0 3.0
   82    51    58    60   0.15000  1.0 3.0
   82    51   -58    67  -0.95700  1.0 1.0
   82    51   -58    67  -0.18200 -1.0 2.0
   82    51   -58    67   0.29450  1.0 3.0
   82    51    61    62   0.15000  1.0 3.0
   82    51    61    63   0.15000  1.0 3.0
   82    51    61    64   0.15000  1.0 3.0
   83    82    46    41   0.37050  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    47   0.62750  1.0 1.0
   46    41    43    47  -0.30950 -1.0 2.0
   46    41    43    47   0.27300  1.0 3.0
   78    71    76    77   7.00000 -1.0 2.0
   78    71    76    82   7.00000 -1.0 2.0
   61    51    58    59   0.15000  1.0 3.0
   61    51    58    60   0.15000  1.0 3.0
   61    51    58    67  -0.95700  1.0 1.0
   61    51    58    67  -0.18200 -1.0 2.0
   61    51    58    67   0.29450  1.0 3.0
   61    51    82    76   0.34400  1.0 1.0
   61    51    82    76   0.09450 -1.0 2.0
   61    51    82    76   0.11100  1.0 3.0
   61    51    82    83   0.15000  1.0 3.0
   61    51    82    46   0.62750  1.0 1.0
   61    51    82    46  -0.30950 -1.0 2.0
   61    51    82    46   0.27300  1.0 3.0
   52    49    51    58   0.56750  1.0 1.0
   52    49    51    58  -0.07550 -1.0 2.0
   52    49    51    58   0.20000  1.0 3.0
   52    49    51    82   0.56750  1.0 1.0
   52    49    51    82  -0.07550 -1.0 2.0
   52    49    51    82   0.20000  1.0 3.0
   52    49    51    61   0.56750  1.0 1.0
   52    49    51    61  -0.07550 -1.0 2.0
   52    49    51    61   0.20000  1.0 3.0
   50    47    49    39   0.62750  1.0 1.0
   50    47    49    39  -0.30950 -1.0 2.0
   50    47    49    39   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   50    56    65    66   1.63100 -1.0 2.0
   50    56    65    69  -0.56150  1.0 1.0
   50    56    65    69   2.19150 -1.0 2.0
   56    65    69    70   7.00000 -1.0 2.0
   56    65    69    72   7.00000 -1.0 2.0
   57    56    65    66   0.00000  1.0 1.0
   57    56    65    69   1.00000 -1.0 2.0
   65    69    72    73   0.00000  1.0 1.0
   65    69    72    74   0.00000  1.0 1.0
   65    69    72    75   0.00000  1.0 1.0
   66    65    69    70   7.00000 -1.0 2.0
   66    65    69    72   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.33100  1.0 3.0
   70    69    72    75   0.33100  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
   38    30    36    37  10.50000 -1.0 2.0
   58    71    67    68  10.50000 -1.0 2.0
   67    78    71    76   1.10000 -1.0 2.0
   82    77    76    71   1.10000 -1.0 2.0
   50    65    56    57  10.50000 -1.0 2.0
   56    66    65    69  15.00000 -1.0 2.0
   72    70    69    65  15.00000 -1.0 2.0
END
