* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    145    225     433
    1     0 S   NP   _N1_     1    28.77543    94.96195   -23.90391
    2     1 S   H    _HN1     2     1.02952    80.39807    16.03943
    3     1 S   H    _H1_     3     1.02829    28.58844   174.95150
    4     1 S   H    _H2_     4     1.02784   107.87015   -90.29004
    5     1 S   CT   _CA1     5     1.50124   131.64051   124.84164
    6     5 S   HC   _HA1     6     1.09575   105.19024    82.36697
    7     5 S   CO3  _C1_     7     1.53781   112.44005   -37.83705
    8     7 S   O2Z  _O11     8     1.26372   115.00162   -42.65800
    9     7 S   O2Z  _O12     9     1.26239   114.94376   136.41643
   10     5 S   CT   _CB1    10     1.53075   107.40908  -159.67917
   11    10 S   HC   HB11    11     1.09833   109.33531   -49.89789
   12    10 S   HC   HB12    12     1.09814   110.45503    66.69167
   13    10 S   CT   _CG1    13     1.52996   112.63543  -170.89519
   14    13 S   HC   HG11    14     1.09583   110.61356   -65.95339
   15    13 S   HC   HG12    15     1.09671   109.80623    53.28642
   16    13 S   C    _CD1    16     1.51808   112.21384   173.69370
   17    16 S   O    _OE1    17     1.22732   123.28574     6.38297
   18    16 S   N    _N2_    18     1.38657   111.69273  -173.68525
   19    18 S   H    _HN2    19     1.01592   118.94027     1.44550
   20    18 S   CT1  _CA2    20     1.46173   123.34121   177.21582
   21    20 S   HC   _HA2    21     1.09743   109.38829     1.32604
   22    20 S   C    _C2_    22     1.53545   108.62736  -114.11864
   23    22 S   O    _O2_    23     1.23057   122.24633  -148.27554
   24    20 S   CT   _CB2    32     1.53476   111.67680   123.35651
   25    24 S   HC   HB21    33     1.09507   109.59928    55.98948
   26    24 S   HC   HB22    34     1.09214   109.55389   174.69526
   27    22 S   N    _N3_    24     1.38313   113.70035    39.18405
   28    27 S   H    _HN3    25     1.01593   119.57617    -3.41231
   29    24 S   S    _SG2    35     1.83155   111.08500   -64.83917
   30    27 S   CT   _CA3    26     1.45289   123.21358   177.10200
   31    30 S   HC   HA31    27     1.09549   107.51788   -64.39909
   32    30 S   HC   HA32    28     1.09557   107.97700    52.04000
   33    29 S   CT   _C17    36     1.86996   102.72613  -173.44881
   34    30 S   CO3  _C3_    29     1.52961   114.07125   174.03274
   35    34 S   O2Z  _O31    30     1.26378   116.05213    -0.58551
   36    34 S   O2Z  _O32    31     1.26427   114.41725   179.47288
   37    33 S   CO4  _C18    37     1.52156   104.98286   -51.91044
   38    37 S   O    _O34    38     1.22268   126.31871   -66.60760
   39    33 S   CT   _C7_    57     1.58623   109.50312  -167.50459
   40    39 S   HC   _H3_    58     1.10227   104.97392    59.99483
   41    37 S   OS   _O35    39     1.35743   110.17626   111.95133
   42    39 S   CT   _C6_    59     1.56047   113.05364   173.05889
   43    42 S   HC   _H12    60     1.09562   110.39365   -33.18307
   44    42 S   HC   _H13    61     1.09335   110.86128    84.35365
   45    41 S   CO4  _C19    40     1.35566   111.74263     3.47322
   46    45 S   O    _O36    41     1.22156   123.67676  -176.45983
   47    42 S   CT   _C5_    62     1.53533   112.81529  -153.36514
   48    47 S   HC   _H10    63     1.09430   110.92086   -60.10276
   49    47 S   HC   _H11    64     1.09619   109.70654    58.14225
   50    33 S   CT   _C16    42     1.54434   117.40809    61.16187
   51    50 S   HC   _H6_    43     1.09500   109.61142   150.06941
   52    47 S   CT   _C4_    65     1.52154   111.30817   178.76489
   53    52 S   HC   _H7_    66     1.09468   111.02970   -59.98859
   54    52 S   HC   _H8_    67     1.09450   110.24745  -179.70525
   55    52 S   HC   _H9_    68     1.09467   110.97308    60.56399
   56    50 S   CT   _C15    44     1.54216   119.24363    22.92590
   57    56 S   HC   _H20    45     1.09053   113.37774    11.89433
   58    56 S   HC   _H21    46     1.09852   110.48094  -104.42388
   59    56 S   CM   _C12    47     1.52337   111.82616   134.06395
   60    59 S   CT   _C11    48     1.52164   118.09261   -88.23996
   61    60 S   HC   _H5_    49     1.09428   108.87333   165.43557
   62    59 S   CM   _C13    73     1.35029   118.44351    93.02761
   63    62 S   HC   _H16    74     1.08944   118.11651    -1.70536
   64    60 S   CT   _C10    50     1.53877   117.08034    47.34656
   65    64 S   HC   _H14    51     1.09757   109.09341   170.54766
   66    64 S   HC   _H15    52     1.09085   109.50993    53.79581
   67    60 S   OH   _O37    71     1.42641   109.35399   -80.10794
   68    67 S   HO   _H22    72     0.97337   108.13852    74.97837
   69    62 S   CT   _C14    75     1.49509   128.48659   176.99893
   70    69 S   HC   _H17    76     1.09515   109.28435  -133.44677
   71    69 S   HC   _H18    77     1.09405   109.93110   108.16875
   72    69 S   HC   _H19    78     1.09163   113.78910   -14.09797
   73    64 S   CO4  _C9_    53     1.52053   115.45007   -71.31808
   74    73 S   O    _O33    54     1.23382   120.66817   -38.78301
   75    73 S   CT   _C8_    55     1.52800   118.04841   146.23696
   76    75 S   HC   _H4_    56     1.09377   106.30738    48.54339
   77    75 S   OH   _O38    69     1.43050   106.85819   160.04274
   78    77 S   HO   _H23    70     0.97400   107.46445    64.29337
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  21   2   1   1  11   4  20   9   5  14   6   5   7   3   7   5
   4   8   4   3   2   1   1  10   4   3  14  12   7   7   4   9
   5   4   2   1   3   2   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    50    51    56    75    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    46    50    51    56    57    58    59    73    75    76    39    40    42    43    44    47    77  
   35    36  
   36  
    0  
   38    41    45    46    50    51    56    75    39    40    42  
   41    45    50    39  
   40    42    43    44    47    48    49    52    77    78    41    45    50    51    56    64    73    74    75    76  
   42    43    44    47    77    50    73    75    76  
   45    46    50    51    56  
   43    44    47    48    49    52    53    54    55    77    50    73    75    76  
   44    47    48    49    52    75  
   47    48    49    52    75  
   46    50    51    56    57    58    59  
   50    51    56  
   48    49    52    53    54    55    75  
   49    52    53    54    55  
   52    53    54    55  
   51    56    57    58    59    60    75    62  
   56    57    58    59  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    61    64    67    62    63    69  
   58    59    60    62  
   59    60    62  
   60    61    64    65    66    73    67    68    62    63    69    70    71    72  
   61    64    65    66    73    74    75    67    68    62    63    69  
   64    65    66    73    67    68    62  
   63    69    70    71    72    64    67  
   69    70    71    72  
   65    66    73    74    75    76    77    67    68  
   66    73    74    75    67  
   73    74    75    67  
   68    73  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   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  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0000   0.1700  -0.160000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   214.000  1.327
   41    45   214.000  1.327
   45    46   570.000  1.229
   45    50   317.000  1.522
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   317.000  1.510
   59    62   549.000  1.340
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    73   317.000  1.522
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    39   268.000  1.529
   75    77   320.000  1.410
   39    40   340.000  1.090
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   77    78   553.000  0.945
   67    68   553.000  0.945
   62    63   340.000  1.080
   62    69   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    81.00000  111.40000
   33    50    45    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    75    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   37    41    45   105.00000  110.06700
   41    37    38    83.00000  123.40000
   41    45    46    83.00000  123.40000
   41    45    50    81.00000  111.40000
   45    50    51    35.00000  109.50000
   45    50    56    63.00000  111.10000
   50    33    37    63.00000  111.10000
   50    45    46    80.00000  120.40000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    70.00000  112.02700
   56    50    51    37.50000  110.70000
   56    59    60    65.00000  117.92700
   56    59    62    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    60    61    35.00000  109.50000
   59    60    64    70.00000  112.02700
   59    60    67    90.00000  110.39200
   59    62    63    35.00000  120.00000
   59    62    69    70.00000  124.00000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    73    63.00000  111.10000
   60    67    68    55.00000  108.50000
   64    60    61    37.50000  110.70000
   64    73    74    80.00000  120.40000
   64    73    75    70.00000  116.00000
   66    64    65    33.00000  107.80000
   73    64    65    35.00000  109.50000
   73    64    66    35.00000  109.50000
   73    75    76    35.00000  109.50000
   73    75    39    63.00000  111.10000
   73    75    77    90.00000  109.61100
   75    73    74    80.00000  120.40000
   75    39    40    37.50000  110.70000
   75    39    42    58.35000  112.70000
   75    77    78    55.00000  108.50000
   39    33    37    63.00000  111.10000
   39    33    50    58.35000  112.70000
   39    75    76    37.50000  110.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    47    58.35000  112.70000
   42    39    40    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    52    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   77    75    76    35.00000  109.50000
   77    75    39    50.00000  109.50000
   67    60    61    35.00000  109.50000
   67    60    64    50.00000  109.50000
   62    59    60    70.00000  124.00000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   69    62    63    35.00000  117.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.40000  1.0 3.0
   29    33    50    45   0.56750  1.0 1.0
   29    33    50    45  -0.07550 -1.0 2.0
   29    33    50    45   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  1.0 3.0
   29    33    39    75   0.44750  1.0 1.0
   29    33    39    75  -0.17800 -1.0 2.0
   29    33    39    75   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   33    37   -41    45   2.00000 -1.0 2.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50    56    59   0.34400  1.0 1.0
   33    50    56    59   0.09450 -1.0 2.0
   33    50    56    59   0.11100  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    47   0.56750  1.0 1.0
   33    39    42    47  -0.07550 -1.0 2.0
   33    39    42    47   0.20000  1.0 3.0
   37    33   -50    45   0.11950  1.0 1.0
   37    33   -50    45   0.20300 -1.0 2.0
   37    33   -50    45  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    56  -0.95700  1.0 1.0
   37    33    50    56  -0.18200 -1.0 2.0
   37    33    50    56   0.29450  1.0 3.0
   37    33    39    75  -0.95700  1.0 1.0
   37    33    39    75  -0.18200 -1.0 2.0
   37    33    39    75   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41   -45    50   2.00000 -1.0 2.0
   38    37    41    45   3.00000 -1.0 2.0
   41    45   -50    33   0.36750  1.0 3.0
   41    45    50    51   0.00000  1.0 1.0
   41    45    50    56   0.36750  1.0 3.0
   45    50    56    57  -0.11250  1.0 3.0
   45    50    56    58  -0.11250  1.0 3.0
   45    50    56    59  -0.98800  1.0 1.0
   45    50    56    59   0.48800 -1.0 2.0
   45    50    56    59   0.76800  1.0 3.0
   46    45    50    33   0.30150 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    56   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    41   0.36750  1.0 3.0
   50    33    39    75   0.56750  1.0 1.0
   50    33    39    75  -0.07550 -1.0 2.0
   50    33    39    75   0.20000  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    42   0.56750  1.0 1.0
   50    33    39    42  -0.07550 -1.0 2.0
   50    33    39    42   0.20000  1.0 3.0
   50    56    59    60   0.46850  1.0 1.0
   50    56    59    60   0.08550 -1.0 2.0
   50    56    59    60   0.09800  1.0 3.0
   50    56    59    62   0.09850  1.0 1.0
   50    56    59    62   0.15250 -1.0 2.0
   50    56    59    62  -0.50650  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   56    59    60    61   0.34800  1.0 3.0
   56    59    60    64   0.46850  1.0 1.0
   56    59    60    64   0.08550 -1.0 2.0
   56    59    60    64   0.09800  1.0 3.0
   56    59    60    67   0.18000  1.0 1.0
   56    59    60    67   0.16450 -1.0 2.0
   56    59    60    67   0.04450  1.0 3.0
   56    59    62    63   7.00000 -1.0 2.0
   56    59    62    69   7.00000 -1.0 2.0
   57    56    59    60   0.34800  1.0 3.0
   57    56    59    62   0.00000  1.0 1.0
   58    56    59    60   0.34800  1.0 3.0
   58    56    59    62   0.00000  1.0 1.0
   59    60    64    65   0.15000  1.0 3.0
   59    60    64    66   0.15000  1.0 3.0
   59    60    64    73  -0.98800  1.0 1.0
   59    60    64    73   0.48800 -1.0 2.0
   59    60    64    73   0.76800  1.0 3.0
   59    60    67    68  -0.07800  1.0 1.0
   59    60    67    68  -0.21500 -1.0 2.0
   59    60    67    68  -0.03150  1.0 3.0
   59    62    69    70   0.00000  1.0 1.0
   59    62    69    71   0.00000  1.0 1.0
   59    62    69    72   0.00000  1.0 1.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    69   7.00000 -1.0 2.0
   60    64    73    74   0.30150 -1.0 2.0
   60    64    73    75   0.60050  1.0 1.0
   60    64    73    75   0.05600 -1.0 2.0
   60    64    73    75   0.26150  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    73  -0.11250  1.0 3.0
   61    60    67    68   0.19450  1.0 3.0
   64    60    67    68  -0.11600  1.0 1.0
   64    60    67    68  -0.09450 -1.0 2.0
   64    60    67    68   0.21250  1.0 3.0
   64    73    75    76   0.00000  1.0 1.0
   64    73    75    39   0.60050  1.0 1.0
   64    73    75    39   0.05600 -1.0 2.0
   64    73    75    39   0.26150  1.0 3.0
   64    73    75    77   0.55300  1.0 1.0
   64    73    75    77   1.25850 -1.0 2.0
   64    73    75    77  -0.23600  1.0 3.0
   65    64    73    74   0.00000  1.0 1.0
   65    64    73    75   0.00000  1.0 1.0
   66    64    73    74   0.00000  1.0 1.0
   66    64    73    75   0.00000  1.0 1.0
   73    75    39    33  -0.95700  1.0 1.0
   73    75    39    33  -0.18200 -1.0 2.0
   73    75    39    33   0.29450  1.0 3.0
   73    75    39    40  -0.11250  1.0 3.0
   73    75    39    42  -0.95700  1.0 1.0
   73    75    39    42  -0.18200 -1.0 2.0
   73    75    39    42   0.29450  1.0 3.0
   73    75    77    78   0.91850  1.0 1.0
   73    75    77    78   0.57950  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    39   0.30150 -1.0 2.0
   74    73    75    77   0.30150 -1.0 2.0
   75    39    42    43   0.15000  1.0 3.0
   75    39    42    44   0.15000  1.0 3.0
   75    39    42    47   0.56750  1.0 1.0
   75    39    42    47  -0.07550 -1.0 2.0
   75    39    42    47   0.20000  1.0 3.0
   76    75    39    33   0.15000  1.0 3.0
   76    75    39    40   0.15000  1.0 3.0
   76    75    39    42   0.15000  1.0 3.0
   76    75    77    78   0.19450  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.36750  1.0 3.0
   39    33    50    45  -0.95700  1.0 1.0
   39    33    50    45  -0.18200 -1.0 2.0
   39    33    50    45   0.29450  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  1.0 3.0
   39    75    77    78  -0.11600  1.0 1.0
   39    75    77    78  -0.09450 -1.0 2.0
   39    75    77    78   0.21250  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    49   0.15000  1.0 3.0
   39    42    47    52   0.56750  1.0 1.0
   39    42    47    52  -0.07550 -1.0 2.0
   39    42    47    52   0.20000  1.0 3.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    54   0.15000  1.0 3.0
   42    47    52    55   0.15000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    52   0.15000  1.0 3.0
   44    42    47    48   0.15000  1.0 3.0
   44    42    47    49   0.15000  1.0 3.0
   44    42    47    52   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    54   0.15000  1.0 3.0
   49    47    52    55   0.15000  1.0 3.0
   77    75    39    33   0.86500  1.0 1.0
   77    75    39    33  -0.17500 -1.0 2.0
   77    75    39    33   0.20800  1.0 3.0
   77    75    39    40   0.23400  1.0 3.0
   77    75    39    42   0.86500  1.0 1.0
   77    75    39    42  -0.17500 -1.0 2.0
   77    75    39    42   0.20800  1.0 3.0
   67    60    64    65   0.23400  1.0 3.0
   67    60    64    66   0.23400  1.0 3.0
   67    60    64    73  -0.09450  1.0 1.0
   67    60    64    73  -1.12950 -1.0 2.0
   67    60    64    73   0.54000  1.0 3.0
   62    59    60    61   0.00000  1.0 1.0
   62    59    60    64   0.09850  1.0 1.0
   62    59    60    64   0.15250 -1.0 2.0
   62    59    60    64  -0.50650  1.0 3.0
   62    59    60    67   0.67800  1.0 1.0
   62    59    60    67   0.47050 -1.0 2.0
   62    59    60    67  -0.62500  1.0 3.0
   63    62    69    70   0.33100  1.0 3.0
   63    62    69    71   0.33100  1.0 3.0
   63    62    69    72   0.33100  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   41    50    45    46  10.50000 -1.0 2.0
   56    60    59    62   1.10000 -1.0 2.0
   64    75    73    74  10.50000 -1.0 2.0
   69    63    62    59   1.10000 -1.0 2.0
END
