* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    147    225     429
    1     0 S   NP   _N1_     1    29.79823    95.18219   -16.34314
    2     1 S   H    _HN1     2     1.02839    60.17981   122.73246
    3     1 S   H    _H1_     3     1.02784    55.39552   -91.74058
    4     1 S   H    _H2_     4     1.02952    95.97296    16.33805
    5     1 S   CT   _CA1     5     1.50115   153.50116  -160.74340
    6     5 S   HC   _HA1     6     1.09574   105.27510    -4.89065
    7     5 S   CO3  _C1_     7     1.53890   112.00083  -125.08710
    8     7 S   O2Z  _O11     8     1.26379   115.13769   -51.92874
    9     7 S   O2Z  _O12     9     1.26244   114.92705   127.02505
   10     5 S   CT   _CB1    10     1.53077   107.36488   112.90685
   11    10 S   HC   HB11    11     1.09823   109.66149   -49.77334
   12    10 S   HC   HB12    12     1.09796   110.29244    66.74587
   13    10 S   CT   _CG1    13     1.52979   112.53281  -170.73036
   14    13 S   HC   HG11    14     1.09481   110.44559   -56.40460
   15    13 S   HC   HG12    15     1.09625   110.09354    62.60775
   16    13 S   C    _CD1    16     1.51824   112.12508  -176.98156
   17    16 S   O    _OE1    17     1.22739   123.19483    -9.57799
   18    16 S   N    _N2_    18     1.38564   111.70265   171.00424
   19    18 S   H    _HN2    19     1.01669   118.82174     3.06248
   20    18 S   CT1  _CA2    20     1.45958   123.50405  -178.31043
   21    20 S   HC   _HA2    21     1.09723   109.18911    -8.46223
   22    20 S   C    _C2_    22     1.53498   108.42989  -124.06257
   23    22 S   O    _O2_    23     1.23042   122.17566  -147.62599
   24    20 S   CT   _CB2    32     1.53528   112.24750   113.45768
   25    24 S   HC   HB21    33     1.09555   110.87888    62.29570
   26    24 S   HC   HB22    34     1.09581   109.51787   179.59700
   27    22 S   N    _N3_    24     1.38484   113.57691    39.71823
   28    27 S   H    _HN3    25     1.01513   118.91059    -0.88713
   29    24 S   S    _SG2    35     1.82965   112.92696   -61.98604
   30    27 S   CT   _CA3    26     1.45423   123.40163   175.50229
   31    30 S   HC   HA31    27     1.09531   109.13467    26.41892
   32    30 S   HC   HA32    28     1.09496   107.14577   143.35334
   33    29 S   CT   _C19    36     1.85569    99.92338   101.40209
   34    33 S   HC   _H5_    37     1.09065   105.72068   -34.89233
   35    30 S   CO3  _C3_    29     1.52912   113.16534   -97.02078
   36    35 S   O2Z  _O31    30     1.26399   115.41616   -45.60036
   37    35 S   O2Z  _O32    31     1.26363   114.98654   135.36074
   38    33 S   CT   _C20    38     1.53674   108.85938    82.96899
   39    38 S   HC   _H17    39     1.09800   110.88145   -49.59293
   40    38 S   HC   _H18    40     1.09570   108.97372  -167.03677
   41    33 S   CT   _C18    45     1.54248   108.88340  -151.70185
   42    41 S   HC   _H4_    46     1.09829   109.95117   -50.70905
   43    38 S   OS   _O35    41     1.42567   110.31268    72.77613
   44    41 S   CT   _C17    47     1.54601   115.70611  -173.25424
   45    44 S   HC   _H3_    48     1.09387   109.32407    60.84767
   46    41 S   OH   _O38    81     1.43573   108.61435    64.89362
   47    46 S   HO   _H19    82     0.97422   107.01600   175.11725
   48    43 S   PR   _P1_    42     1.62146   116.28102   172.77498
   49    48 S   OM   _O37    43     1.64132    98.00407    85.11832
   50    48 S   OM   _O36    44     1.64050    97.70265  -175.59936
   51    44 S   CT   _C16    49     1.54701   115.95501   -66.57855
   52    51 S   HC   _H15    50     1.09762   111.26076  -135.33687
   53    51 S   HC   _H16    51     1.09453   109.35658   -21.62550
   54    44 S   OH   _O39    79     1.43989   105.39620   174.37538
   55    54 S   HO   _H20    80     0.97143   107.90224  -168.36448
   56    51 S   NE   _N4_    52     1.47813   113.02026   101.24292
   57    56 S   CA   _C8_    53     1.41480   119.74564    72.10004
   58    56 S   CDX  _C12    63     1.39441   120.96557  -109.15545
   59    57 S   CA   _C9_    54     1.40677   123.94504     5.68607
   60    59 S   HA   _H10    55     1.08520   120.36226     1.18465
   61    58 S   NI   _N5_    64     1.29984   124.78974    -6.00244
   62    59 S   CA   _C10    56     1.40809   122.51065  -179.29807
   63    61 S   C    _C13    65     1.37481   123.71364   178.53674
   64    63 S   O    _O33    66     1.23206   121.21772   179.71607
   65    62 S   CA   _C5_    57     1.40219   119.35228    -0.28599
   66    63 S   N    _N6_    67     1.38816   119.67775    -1.26486
   67    66 S   H    _H14    68     1.01461   116.74867  -178.57015
   68    62 S   CT   _C11    75     1.50426   119.27056   179.44928
   69    68 S   HC   _H11    76     1.09461   110.37629   121.52629
   70    68 S   HC   _H12    77     1.09458   110.26782  -117.32902
   71    68 S   HC   _H13    78     1.09520   111.67419     2.16094
   72    65 S   CA   _C6_    58     1.39917   118.71947    -0.77405
   73    72 S   HA   _H9_    59     1.08899   119.64389  -179.26965
   74    82 S   C    _C14    69     1.49564   117.14890  -179.08229
   75    74 S   O    _O34    70     1.21903   121.11846    -3.73502
   76    65 S   CT   _C4_    71     1.50248   121.76017   179.85735
   77    76 S   HC   _H6_    72     1.09461   110.42351   -58.24707
   78    76 S   HC   _H7_    73     1.09457   110.29646    62.92420
   79    76 S   HC   _H8_    74     1.09527   111.58168  -177.54274
   80    57 S   CA   _C7_    60     1.40754   118.78842  -175.04904
   81    80 S   NI   _N7_    61     1.40316   122.47856    -1.12431
   82    81 S   CD   _C15    62     1.29314   119.34343    -2.29874
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  14   8   2   1   1  10   4   3  12   6   3  11   7   3   1   2
   1   1  11   5   4   2   1  12  12  10  11   4   7  12   6   3
  12   5   3   5   2   1   1   8   3   4   2   4   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    48    41    42    44    45    51    54    46    47  
   38    39    40    43    41    42    44    46  
   36    37  
   37  
    0  
   39    40    43    48    49    50    41    42    44    46  
   40    43    48    41  
   43    48    41  
   42    44    45    51    52    53    56    54    55    46    47    43  
   44    45    51    54    46    47  
   48    49    50  
   45    51    52    53    56    57    58    54    55    46    47  
   51    52    53    56    54    55    46  
   47    51    54  
    0  
   49    50  
   50  
    0  
   52    53    56    57    59    80    82    58    61    54    55  
   53    56    57    58    54  
   56    57    58    54  
   55    56  
    0  
   57    59    60    62    72    80    81    82    58    61    63    74  
   59    60    62    65    72    73    80    81    82    58    61    68  
   61    63    64    66    74    75    59    80    81    82  
   60    62    65    72    80    81    76    68    69    70    71  
   62    65    80    68  
   63    64    66    67    74    81    82  
   65    72    73    80    76    77    78    79    68    69    70    71  
   64    66    67    74    75    82  
   66    67    74  
   72    73    80    81    76    77    78    79    68    69    70    71  
   67    74    75    81    82  
   74    75    82  
   69    70    71    72    76  
   70    71  
   71  
    0  
   73    80    81    82    76    77    78    79  
   80    81    76  
   75    80    81    82  
   81    82  
   77    78    79    80  
   78    79  
   79  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.9000   0.1400  -1.312500   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   49   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   50   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   51   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.197700   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5500   0.0700   0.100200   2.5000   1.7750   0.001000000  -0.843144165
   58   3.7500   0.1050   0.334000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2800   0.1700  -0.481500   1.8540   1.6400   0.005000000   0.000000000
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.753000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.2500   0.1700  -0.536200   1.8100   1.6000   0.054801302  -1.445846770
   67   0.5000   0.0300   0.291200   1.5900   1.4000   0.030040813  -0.651083722
   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   3.7500   0.1050   0.630500   1.9250   1.7000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
   76   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700   0.078800   2.5000   1.7750   0.001000000  -0.843144165
   81   3.2800   0.1700  -0.468500   1.8540   1.6400   0.005000000   0.000000000
   82   3.7500   0.1050   0.389700   2.0020   1.7750   0.023028004  -0.852763146
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   320.000  1.410
   43    48   325.000  1.672
   48    49   325.000  1.672
   48    50   325.000  1.672
   41    42   340.000  1.090
   41    44   268.000  1.529
   41    46   320.000  1.410
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    54   320.000  1.410
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   382.000  1.448
   56    57   481.000  1.340
   56    58   445.000  1.380
   57    59   469.000  1.400
   57    80   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    65   469.000  1.400
   62    68   317.000  1.510
   65    72   469.000  1.400
   65    76   317.000  1.510
   72    73   367.000  1.080
   72    80   469.000  1.400
   80    81   400.000  1.385
   81    82   500.000  1.261
   82    58   270.000  1.479
   82    74   270.000  1.486
   58    61   650.000  1.285
   61    63   415.000  1.368
   63    64   570.000  1.229
   63    66   490.000  1.335
   66    67   434.000  1.010
   66    74   490.000  1.335
   74    75   570.000  1.229
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    44    58.35000  112.70000
   33    41    46    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    48   100.00000  120.50000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    48    49    45.00000  102.60000
   43    48    50    45.00000  102.60000
   50    48    49    35.00000   94.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    44    45    37.50000  110.70000
   41    44    51    58.35000  112.70000
   41    44    54    50.00000  109.50000
   41    46    47    55.00000  108.50000
   44    41    42    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    56    80.00000  111.61500
   44    54    55    55.00000  108.50000
   51    44    45    37.50000  110.70000
   51    56    57    50.00000  120.00000
   51    56    58    50.00000  119.50000
   53    51    52    33.00000  107.80000
   56    51    52    35.00000  109.50000
   56    51    53    35.00000  109.50000
   56    57    59    70.00000  120.10000
   56    57    80    70.00000  120.10000
   56    58    82    75.00000  117.28700
   56    58    61    75.00000  124.36500
   57    59    60    35.00000  120.00000
   57    59    62    63.00000  120.00000
   57    80    72    63.00000  120.00000
   57    80    81    70.00000  120.44500
   59    62    65    63.00000  120.00000
   59    62    68    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    65    72    63.00000  120.00000
   62    65    76    70.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    71    35.00000  109.50000
   65    72    73    35.00000  120.00000
   65    72    80    63.00000  120.00000
   65    76    77    35.00000  109.50000
   65    76    78    35.00000  109.50000
   65    76    79    35.00000  109.50000
   72    80    81    70.00000  120.44500
   80    57    59    63.00000  120.00000
   80    72    73    35.00000  120.00000
   80    81    82    70.00000  113.96500
   81    82    58    65.00000  122.46400
   81    82    74    65.00000  123.79500
   82    58    61    65.00000  122.46400
   82    74    66    75.00000  109.57000
   82    74    75    80.00000  120.45000
   58    56    57    50.00000  129.40000
   58    61    63    75.00000  109.13600
   61    63    64    80.00000  126.08800
   61    63    66    90.00000  112.94000
   63    66    67    35.00000  119.80000
   63    66    74    70.00000  121.37400
   66    63    64    80.00000  122.90000
   66    74    75    80.00000  122.90000
   74    82    58    70.00000  118.70000
   74    66    67    35.00000  119.80000
   76    65    72    70.00000  120.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   68    62    65    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    44    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    43    48  -2.65550  1.0 1.0
   33    38    43    48  -0.22350 -1.0 2.0
   33    38    43    48   0.24150  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    51   0.56750  1.0 1.0
   33    41    44    51  -0.07550 -1.0 2.0
   33    41    44    51   0.20000  1.0 3.0
   33    41    44    54   0.86500  1.0 1.0
   33    41    44    54  -0.17500 -1.0 2.0
   33    41    44    54   0.20800  1.0 3.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    46   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    46   0.86500  1.0 1.0
   38    33    41    46  -0.17500 -1.0 2.0
   38    33    41    46   0.20800  1.0 3.0
   38    43    48    49   0.05050  1.0 1.0
   38    43    48    49  -1.30700 -1.0 2.0
   38    43    48    49   0.91550  1.0 3.0
   38    43    48    50   0.05050  1.0 1.0
   38    43    48    50  -1.30700 -1.0 2.0
   38    43    48    50   0.91550  1.0 3.0
   39    38    43    48   0.03000  1.0 3.0
   40    38    43    48   0.03000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.62750  1.0 1.0
   41    33    38    43  -0.30950 -1.0 2.0
   41    33    38    43   0.27300  1.0 3.0
   41    44    51    52   0.15000  1.0 3.0
   41    44    51    53   0.15000  1.0 3.0
   41    44    51    56   1.26750  1.0 1.0
   41    44    51    56  -0.00950 -1.0 2.0
   41    44    51    56   0.30600  1.0 3.0
   41    44    54    55  -0.11600  1.0 1.0
   41    44    54    55  -0.09450 -1.0 2.0
   41    44    54    55   0.21250  1.0 3.0
   42    41    44    45   0.15000  1.0 3.0
   42    41    44    51   0.15000  1.0 3.0
   42    41    44    54   0.23400  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   44    41    46    47  -0.11600  1.0 1.0
   44    41    46    47  -0.09450 -1.0 2.0
   44    41    46    47   0.21250  1.0 3.0
   44    51    56    57  -0.12500  1.0 1.0
   44    51    56    57  -0.12500 -1.0 2.0
   44    51    56    57   0.25000  1.0 3.0
   44    51    56    58   0.38950  1.0 1.0
   44    51    56    58  -0.47050 -1.0 2.0
   44    51    56    58   0.83150  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    56   0.22950  1.0 3.0
   45    44    54    55   0.19450  1.0 3.0
   51    44    54    55  -0.11600  1.0 1.0
   51    44    54    55  -0.09450 -1.0 2.0
   51    44    54    55   0.21250  1.0 3.0
   51    56    57    59  -1.00000  1.0 1.0
   51    56    57    59   1.25000 -1.0 2.0
   51    56    57    80  -1.00000  1.0 1.0
   51    56    57    80   1.25000 -1.0 2.0
   51    56    58    82  -0.54700  1.0 1.0
   51    56    58    82   1.23000 -1.0 2.0
   51    56    58    61  -0.86000  1.0 1.0
   51    56    58    61   0.84650 -1.0 2.0
   52    51    56    57   0.00000  1.0 1.0
   52    51    56    58   0.00000  1.0 1.0
   53    51    56    57   0.00000  1.0 1.0
   53    51    56    58   0.00000  1.0 1.0
   56    57    59    60   3.62500 -1.0 2.0
   56    57    59    62   3.62500 -1.0 2.0
   56    57    80    72   3.62500 -1.0 2.0
   56    57    80    81   3.62500 -1.0 2.0
   56    58    61    63   6.00000 -1.0 2.0
   57    56    58    82  -0.54500  1.0 1.0
   57    56    58    82   1.14150 -1.0 2.0
   57    56    58    61  -1.45100  1.0 1.0
   57    56    58    61   1.83200 -1.0 2.0
   57    59    62    65   3.62500 -1.0 2.0
   57    59    62    68   3.62500 -1.0 2.0
   57    80   -81    82   1.25000 -1.0 2.0
   59    57    80    72   3.62500 -1.0 2.0
   59    57    80    81   3.62500 -1.0 2.0
   59    62   -65    72   3.62500 -1.0 2.0
   59    62    65    76   3.62500 -1.0 2.0
   59    62    68    69   0.00000  1.0 1.0
   59    62    68    70   0.00000  1.0 1.0
   59    62    68    71   0.00000  1.0 1.0
   60    59    62    65   3.62500 -1.0 2.0
   60    59    62    68   3.62500 -1.0 2.0
   62    65    72    73   3.62500 -1.0 2.0
   62    65    72    80   3.62500 -1.0 2.0
   62    65    76    77   0.00000  1.0 1.0
   62    65    76    78   0.00000  1.0 1.0
   62    65    76    79   0.00000  1.0 1.0
   65    62    68    69   0.00000  1.0 1.0
   65    62    68    70   0.00000  1.0 1.0
   65    62    68    71   0.00000  1.0 1.0
   65    72   -80    57   3.62500 -1.0 2.0
   65    72    80    81   3.62500 -1.0 2.0
   72    65    76    77   0.00000  1.0 1.0
   72    65    76    78   0.00000  1.0 1.0
   72    65    76    79   0.00000  1.0 1.0
   72    80    81    82   1.25000 -1.0 2.0
   73    72    80    57   3.62500 -1.0 2.0
   73    72    80    81   3.62500 -1.0 2.0
   80    57    59    60   3.62500 -1.0 2.0
   80    57   -59    62   3.62500 -1.0 2.0
   80    81    82    58   6.00000 -1.0 2.0
   80    81    82    74   6.00000 -1.0 2.0
   81    82   -58    56   7.00000 -1.0 2.0
   81    82    58    61   7.00000 -1.0 2.0
   81    82    74    66   1.50000 -1.0 2.0
   81    82    74    75   1.00000 -1.0 2.0
   82    58    61    63   6.00000 -1.0 2.0
   58    56    57    59  -0.02750  1.0 1.0
   58    56    57    59   0.06100 -1.0 2.0
   58    56   -57    80  -0.02750  1.0 1.0
   58    56   -57    80   0.06100 -1.0 2.0
   58    82    74    66   1.50000 -1.0 2.0
   58    82    74    75   1.00000 -1.0 2.0
   58    61    63    64   3.09300 -1.0 2.0
   58    61   -63    66  -5.73250  1.0 1.0
   58    61   -63    66   0.67550 -1.0 2.0
   61    63    66    67   2.56700 -1.0 2.0
   61    63    66    74   2.00000 -1.0 2.0
   63    66   -74    82   2.45000 -1.0 2.0
   63    66    74    75   2.22250 -1.0 2.0
   64    63    66    67   2.45000 -1.0 2.0
   64    63    66    74   2.22250 -1.0 2.0
   67    66    74    82   2.56700 -1.0 2.0
   67    66    74    75   2.45000 -1.0 2.0
   74    82    58    56   7.00000 -1.0 2.0
   74    82   -58    61   7.00000 -1.0 2.0
   76    65    72    73   3.62500 -1.0 2.0
   76    65    72    80   3.62500 -1.0 2.0
   68    62    65    72   3.62500 -1.0 2.0
   68    62    65    76   3.62500 -1.0 2.0
   54    44    51    52   0.23400  1.0 3.0
   54    44    51    53   0.23400  1.0 3.0
   54    44    51    56   4.07950  1.0 1.0
   54    44    51    56  -0.26450 -1.0 2.0
   54    44    51    56  -0.12150  1.0 3.0
   46    41    44    45   0.23400  1.0 3.0
   46    41    44    51   0.86500  1.0 1.0
   46    41    44    51  -0.17500 -1.0 2.0
   46    41    44    51   0.20800  1.0 3.0
   46    41    44    54   3.75450  1.0 1.0
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
   57    58    56    51   1.00000 -1.0 2.0
   59    80    57    56   4.00000 -1.0 2.0
   62    60    59    57   1.10000 -1.0 2.0
   65    68    62    59   4.00000 -1.0 2.0
   72    76    65    62   4.00000 -1.0 2.0
   80    73    72    65   1.10000 -1.0 2.0
   72    81    80    57   4.00000 -1.0 2.0
   58    74    82    81  10.50000 -1.0 2.0
   56    82    58    61  10.50000 -1.0 2.0
   61    66    63    64  10.50000 -1.0 2.0
   67    63    66    74   1.00000 -1.0 2.0
   82    66    74    75  10.50000 -1.0 2.0
END
