* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    144    238     430
    1     0 S   NP   _N1_     1    28.15284    97.01579   -24.09338
    2     1 S   H    _HN1     2     1.02775   109.88237  -107.89644
    3     1 S   H    _H1_     3     1.02957    74.74493    -3.51959
    4     1 S   H    _H2_     4     1.02834    33.72776   159.40732
    5     1 S   CT   _CA1     5     1.50140   132.68152   100.33032
    6     5 S   HC   _HA1     6     1.09575   105.20303    89.80617
    7     5 S   CO3  _C1_     7     1.53781   112.35979   -30.36135
    8     7 S   O2Z  _O11     8     1.26369   114.98890   -43.64672
    9     7 S   O2Z  _O12     9     1.26235   114.92932   135.39523
   10     5 S   CT   _CB1    10     1.53091   107.41119  -152.29425
   11    10 S   HC   HB11    11     1.09828   109.31011   -50.42831
   12    10 S   HC   HB12    12     1.09815   110.43664    66.12224
   13    10 S   CT   _CG1    13     1.53020   112.68577  -171.49453
   14    13 S   HC   HG11    14     1.09594   110.50270   -64.90373
   15    13 S   HC   HG12    15     1.09659   109.90812    54.30066
   16    13 S   C    _CD1    16     1.51844   112.29620   174.65170
   17    16 S   O    _OE1    17     1.22755   123.29137     1.14500
   18    16 S   N    _N2_    18     1.38529   111.71978  -178.80319
   19    18 S   H    _HN2    19     1.01563   119.11297     3.63486
   20    18 S   CT1  _CA2    20     1.45886   122.89936   178.17479
   21    20 S   HC   _HA2    21     1.09724   108.87515    26.03273
   22    20 S   C    _C2_    22     1.52923   106.88573   -91.13942
   23    22 S   O    _O2_    23     1.23001   123.00411   -28.54399
   24    20 S   CT   _CB2    32     1.53254   112.17741   149.25592
   25    24 S   HC   HB21    33     1.09447   109.51582    54.95275
   26    24 S   HC   HB22    34     1.09474   109.95655   173.67240
   27    22 S   N    _N3_    24     1.38498   112.65007   154.10479
   28    27 S   H    _HN3    25     1.01663   120.35428    -1.52123
   29    24 S   S    _SG2    35     1.83005   110.70371   -65.81818
   30    27 S   CT   _CA3    26     1.45354   122.39505   178.74883
   31    30 S   HC   HA31    27     1.09567   107.63723   -59.30728
   32    30 S   HC   HA32    28     1.09569   107.74451    56.97670
   33    29 S   CT   _C20    36     1.85910   101.62978   179.21093
   34    33 S   OM   _O39    37     1.32271   108.97556    68.16575
   35    30 S   CO3  _C3_    29     1.52874   114.44369   178.86771
   36    35 S   O2Z  _O31    30     1.26319   116.11082    -0.77884
   37    35 S   O2Z  _O32    31     1.26454   114.38814   179.24050
   38    33 S   CO4  _C19    38     1.54433   107.42601   179.78511
   39    38 S   O    _O36    39     1.23692   122.02247   -42.46553
   40    33 S   CT   _C21    72     1.54858   114.11248   -55.09418
   41    40 S   HC   _H4_    73     1.10310   108.15386    73.20361
   42    38 S   CT   _C17    40     1.54214   117.66335   135.79985
   43    42 S   HC   _H3_    41     1.09970   104.39947   -79.14603
   44    40 S   C    _C23    74     1.53552   115.86151   -45.34727
   45    44 S   O    _O38    75     1.22732   124.72230   -22.45699
   46    42 S   CT   _C18    42     1.53687   111.37682   166.77614
   47    46 S   HC   _H12    43     1.09757   110.01934   164.96843
   48    46 S   HC   _H13    44     1.09667   107.68485    48.82761
   49    44 S   N    _N4_    76     1.37831   112.98684   158.38971
   50    49 S   H    _H14    77     1.01472   122.29435     2.05995
   51    49 S   H    _H15    78     1.01357   120.39420   179.47140
   52    46 S   CA   _C6_    45     1.51471   113.76783   -73.50970
   53    52 S   CA   _C7_    46     1.39703   120.13777   -25.82840
   54    53 S   CA   _C8_    47     1.40800   118.81744   178.50669
   55    53 S   CO4  _C15    66     1.50754   120.24508    -2.78242
   56    55 S   O    _O35    67     1.23268   118.77271  -174.95488
   57    54 S   CA   _C9_    48     1.42870   123.09295    -2.07707
   58    54 S   OH   _O34    64     1.37914   119.99197   179.16233
   59    58 S   HO   _H11    65     0.97238   109.89340    -0.56579
   60    42 S   CT   _C16    68     1.53151   112.14523    40.82231
   61    60 S   OM   _O40    69     1.32351   109.77115  -166.32844
   62    57 S   CA   _C10    49     1.42839   118.86069     1.13832
   63    60 S   CO4  _C22    70     1.54301   112.16749   -49.94203
   64    63 S   O    _O37    71     1.23735   122.96349  -169.48315
   65    52 S   CA   _C5_    50     1.42713   120.25235   155.91282
   66    62 S   CA   _C11    55     1.44445   116.16322  -174.98112
   67    66 S   Cl   Cl1_    56     1.74033   124.28278   170.15118
   68    65 S   CT   _C4_    51     1.51747   117.31059     9.61832
   69    68 S   HC   _H5_    52     1.09346   110.68693   -97.52500
   70    68 S   HC   _H6_    53     1.09408   112.60888    23.65373
   71    68 S   HC   _H7_    54     1.09374   110.75241   138.28785
   72    66 S   CA   _C12    57     1.40016   122.88553    -4.91323
   73    72 S   HA   _H8_    58     1.08773   121.09950  -179.53987
   74    72 S   CA   _C13    59     1.37620   120.07010     1.57657
   75    74 S   HA   _H9_    60     1.08589   119.51597  -179.96044
   76    57 S   CA   _C14    61     1.43038   122.53490  -178.76267
   77    76 S   OH   _O33    62     1.37623   120.46891    -2.03999
   78    77 S   HO   _H10    63     0.97142   109.68930   179.50111
  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   9   5   4   3
  14   7   2   1   1  14   5  12   6  13   8   7   4  12   5   4
   3   1   1  14  13  12   8   3  13   3   1   3   2  12   1   1
   8   7   3   3   2   1   1   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    63    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    60    63    64    40    41    44    45    49  
   38    39    42    63    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    47    48    52    55    60    61    63    40    41    44  
   42    43    46    60    40  
   41    44    45    49    50    51    42    55    60    61    63    64  
   44    45    49    60    63    64  
   43    46    47    48    52    53    65    55    56    60    61    63    64  
   46    47    48    52    55    60    61    63  
   45    49    50    51    60    63    64  
   49    50    51    63  
   47    48    52    53    54    62    65    68    55    60    61    63  
   48    52    53    65    60  
   52    53    65    60  
   50    51    63  
   51  
    0  
   53    54    57    62    65    68    69    70    71    66    58    55    56    60  
   54    57    62    65    68    76    58    59    55    56    60    61    63  
   57    62    65    66    74    76    77    58    59    55    56    60  
   56    60    61    63    64    57    58    65  
   60    61    63  
   62    65    68    66    67    72    74    75    76    77    78    58    59  
   59    62    76  
    0  
   61    63    64  
   63    64  
   65    68    69    70    71    66    67    72    73    74    76    77  
   64  
    0  
   68    69    70    71    66    67    72    76  
   67    72    73    74    75    76    68  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78  
   76    77  
   77    78  
   78  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.005000   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   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   317.000  1.522
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    60   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    65   469.000  1.400
   53    54   469.000  1.400
   53    55   310.000  1.470
   54    57   469.000  1.400
   54    58   450.000  1.364
   57    62   469.000  1.400
   57    76   469.000  1.400
   62    65   469.000  1.400
   62    66   469.000  1.400
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   66    67   300.000  1.725
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   58    59   553.000  0.945
   55    56   570.000  1.229
   55    60   317.000  1.522
   60    61   570.000  1.307
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    40   317.000  1.522
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    49   490.000  1.335
   49    50   434.000  1.010
   49    51   434.000  1.010
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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    70.00000  116.00000
   33    40    63    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    46    63.00000  111.10000
   38    42    60    63.00000  111.10000
   42    38    39    80.00000  120.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    52    70.00000  112.17500
   42    60    55    63.00000  111.10000
   42    60    61    50.00000  109.50000
   42    60    63    63.00000  111.10000
   46    42    43    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    65    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    60.00000  119.52600
   52    65    62    63.00000  120.00000
   52    65    68    70.00000  120.00000
   53    54    57    63.00000  120.00000
   53    54    58    70.00000  120.00000
   53    55    56    75.00000  123.78400
   53    55    60    65.00000  115.47100
   54    57    62    63.00000  120.00000
   54    57    76    63.00000  120.00000
   54    58    59    35.00000  113.00000
   57    62    65    63.00000  120.00000
   57    62    66    63.00000  120.00000
   57    76    74    63.00000  120.00000
   57    76    77    70.00000  120.00000
   62    65    68    70.00000  120.00000
   62    66    67    75.00000  120.00000
   62    66    72    63.00000  120.00000
   65    52    53    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   66    62    65    63.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    74    63.00000  120.00000
   72    66    67    75.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    57    62    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   58    54    57    70.00000  120.00000
   55    53    54    60.00000  119.52600
   55    60    61    90.00000  108.74100
   55    60    63    75.00000  107.99600
   60    42    43    37.50000  110.70000
   60    42    46    58.35000  112.70000
   60    55    56    80.00000  120.40000
   60    63    64    80.00000  120.40000
   60    63    40    70.00000  116.00000
   63    60    61    90.00000  108.74100
   63    40    41    35.00000  109.50000
   63    40    44    70.00000  107.85200
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    63    64    80.00000  120.40000
   40    44    45    80.00000  120.40000
   40    44    49    70.00000  116.60000
   44    40    41    35.00000  109.50000
   44    49    50    35.00000  119.80000
   44    49    51    35.00000  119.80000
   49    44    45    80.00000  122.90000
   51    49    50    35.00000  120.00000
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    63   0.56750  1.0 1.0
   29    33    40    63  -0.07550 -1.0 2.0
   29    33    40    63   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.00000  1.0 1.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    38    42    60   0.60050  1.0 1.0
   33    38    42    60   0.05600 -1.0 2.0
   33    38    42    60   0.26150  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    49   1.39750  1.0 1.0
   33    40    44    49  -0.07950 -1.0 2.0
   33    40    44    49  -0.18750  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.55300  1.0 1.0
   34    33    38    42   1.25850 -1.0 2.0
   34    33    38    42  -0.23600  1.0 3.0
   34    33    40    63  -0.09450  1.0 1.0
   34    33    40    63  -1.12950 -1.0 2.0
   34    33    40    63   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    44  -0.09450  1.0 1.0
   34    33    40    44  -1.12950 -1.0 2.0
   34    33    40    44   0.54000  1.0 3.0
   38    33    40    63   0.11950  1.0 1.0
   38    33    40    63   0.20300 -1.0 2.0
   38    33    40    63  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    44   0.11950  1.0 1.0
   38    33    40    44   0.20300 -1.0 2.0
   38    33    40    44  -0.70800  1.0 3.0
   38    42    46    47  -0.11250  1.0 3.0
   38    42    46    48  -0.11250  1.0 3.0
   38    42    46    52   0.56750  1.0 1.0
   38    42    46    52  -0.07550 -1.0 2.0
   38    42    46    52   0.20000  1.0 3.0
   38    42    60    55   0.11950  1.0 1.0
   38    42    60    55   0.20300 -1.0 2.0
   38    42    60    55  -0.70800  1.0 3.0
   38    42    60    61  -0.09450  1.0 1.0
   38    42    60    61  -1.12950 -1.0 2.0
   38    42    60    61   0.54000  1.0 3.0
   38    42   -60    63   0.11950  1.0 1.0
   38    42   -60    63   0.20300 -1.0 2.0
   38    42   -60    63  -0.70800  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.30150 -1.0 2.0
   39    38    42    60   0.30150 -1.0 2.0
   42    46    52    53   0.04150 -1.0 2.0
   42    46    52    65   0.04150 -1.0 2.0
   42    60    63    64   0.30150 -1.0 2.0
   42    60    63    40   0.60050  1.0 1.0
   42    60    63    40   0.05600 -1.0 2.0
   42    60    63    40   0.26150  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    52   0.43200  1.0 3.0
   43    42    60    55  -0.11250  1.0 3.0
   43    42    60    61   0.23400  1.0 3.0
   43    42    60    63  -0.11250  1.0 3.0
   46    42    60    55  -0.95700  1.0 1.0
   46    42    60    55  -0.18200 -1.0 2.0
   46    42    60    55   0.29450  1.0 3.0
   46    42    60    61   0.62750  1.0 1.0
   46    42    60    61  -0.30950 -1.0 2.0
   46    42    60    61   0.27300  1.0 3.0
   46    42    60    63  -0.95700  1.0 1.0
   46    42    60    63  -0.18200 -1.0 2.0
   46    42    60    63   0.29450  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52   -53    55   3.62500 -1.0 2.0
   46    52    65    62   3.62500 -1.0 2.0
   46    52    65    68   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    65   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    65   0.00000  1.0 1.0
   52    53    54    57   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    56   1.05000 -1.0 2.0
   52    53    55    60   2.26350  1.0 1.0
   52    53    55    60   0.76750 -1.0 2.0
   52    53    55    60   0.22500  1.0 3.0
   52    65    68    69   0.00000  1.0 1.0
   52    65    68    70   0.00000  1.0 1.0
   52    65    68    71   0.00000  1.0 1.0
   53    52    65    62   3.62500 -1.0 2.0
   53    52    65    68   3.62500 -1.0 2.0
   53    54   -57    62   3.62500 -1.0 2.0
   53    54    57    76   3.62500 -1.0 2.0
   53    54    58    59   0.84100 -1.0 2.0
   53    55   -60    42   0.05850 -1.0 2.0
   53    55   -60    42   0.17250  1.0 3.0
   53    55    60    61   0.65300  1.0 1.0
   53    55    60    61  -0.03850 -1.0 2.0
   53    55    60    61   0.33900  1.0 3.0
   53    55    60    63   0.65300  1.0 1.0
   53    55    60    63  -0.03850 -1.0 2.0
   53    55    60    63   0.33900  1.0 3.0
   54    53    55    56   1.05000 -1.0 2.0
   54    53    55    60   2.26350  1.0 1.0
   54    53    55    60   0.76750 -1.0 2.0
   54    53    55    60   0.22500  1.0 3.0
   54    57    62    65   3.62500 -1.0 2.0
   54    57    62    66   3.62500 -1.0 2.0
   54    57    76    74   3.62500 -1.0 2.0
   54    57    76    77   3.62500 -1.0 2.0
   57    54    58    59   0.84100 -1.0 2.0
   57    62   -65    52   3.62500 -1.0 2.0
   57    62    65    68   3.62500 -1.0 2.0
   57    62    66    67   3.62500 -1.0 2.0
   57    62    66    72   3.62500 -1.0 2.0
   57    76    77    78   0.84100 -1.0 2.0
   62    57    76    74   3.62500 -1.0 2.0
   62    57    76    77   3.62500 -1.0 2.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   62    66    72    73   3.62500 -1.0 2.0
   62    66   -72    74   3.62500 -1.0 2.0
   65    52   -53    54   3.62500 -1.0 2.0
   65    52    53    55   3.62500 -1.0 2.0
   65    62    66    67   3.62500 -1.0 2.0
   65    62    66    72   3.62500 -1.0 2.0
   66    62    65    52   3.62500 -1.0 2.0
   66    62    65    68   3.62500 -1.0 2.0
   66    72    74    75   3.62500 -1.0 2.0
   66    72    74    76   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    74   3.62500 -1.0 2.0
   72    74   -76    57   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    57   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    57    62    65   3.62500 -1.0 2.0
   76    57   -62    66   3.62500 -1.0 2.0
   58    54    57    62   3.62500 -1.0 2.0
   58    54    57    76   3.62500 -1.0 2.0
   55    53    54    57   3.62500 -1.0 2.0
   55    53    54    58   3.62500 -1.0 2.0
   55    60    63    64   0.30150 -1.0 2.0
   55    60    63    40   0.65300  1.0 1.0
   55    60    63    40  -0.03850 -1.0 2.0
   55    60    63    40   0.33900  1.0 3.0
   56    55    60    42   0.30150 -1.0 2.0
   56    55    60    61   0.30150 -1.0 2.0
   56    55    60    63   0.30150 -1.0 2.0
   60    42    46    47   0.15000  1.0 3.0
   60    42    46    48   0.15000  1.0 3.0
   60    42   -46    52  -0.03700  1.0 1.0
   60    42   -46    52   0.37200 -1.0 2.0
   60    42   -46    52  -0.47300  1.0 3.0
   60    63   -40    33   0.60050  1.0 1.0
   60    63   -40    33   0.05600 -1.0 2.0
   60    63   -40    33   0.26150  1.0 3.0
   60    63    40    41   0.00000  1.0 1.0
   60    63    40    44   0.65300  1.0 1.0
   60    63    40    44  -0.03850 -1.0 2.0
   60    63    40    44   0.33900  1.0 3.0
   61    60    63    64   0.30150 -1.0 2.0
   61    60    63    40   0.55300  1.0 1.0
   61    60    63    40   1.25850 -1.0 2.0
   61    60    63    40  -0.23600  1.0 3.0
   63    40    44    45   0.30150 -1.0 2.0
   63    40    44    49   0.00000  1.0 1.0
   64    63    40    33   0.30150 -1.0 2.0
   64    63    40    41   0.00000  1.0 1.0
   64    63    40    44   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.60050  1.0 1.0
   40    33   -38    42   0.05600 -1.0 2.0
   40    33   -38    42   0.26150  1.0 3.0
   40    44    49    50   2.45000 -1.0 2.0
   40    44    49    51   2.45000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    49   0.00000  1.0 1.0
   45    44    49    50   2.45000 -1.0 2.0
   45    44    49    51   2.45000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    42    38    39  10.50000 -1.0 2.0
   53    65    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   57    58    54    53   4.00000 -1.0 2.0
   62    76    57    54   4.00000 -1.0 2.0
   65    66    62    57   4.00000 -1.0 2.0
   62    68    65    52   4.00000 -1.0 2.0
   72    67    66    62   4.00000 -1.0 2.0
   74    73    72    66   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    57   4.00000 -1.0 2.0
   53    60    55    56  10.50000 -1.0 2.0
   60    40    63    64  10.50000 -1.0 2.0
   40    49    44    45  10.50000 -1.0 2.0
   51    44    49    50   1.00000 -1.0 2.0
END
