* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    238     447
    1     0 S   NP   _N1_     1    28.89596    94.94955   -25.43345
    2     1 S   H    _HN1     2     1.02952    78.25708    15.50711
    3     1 S   H    _H1_     3     1.02828    28.90402  -169.01307
    4     1 S   H    _H2_     4     1.02783   116.10203   -89.35551
    5     1 S   CT   _CA1     5     1.50117   124.70728   122.30338
    6     5 S   HC   _HA1     6     1.09572   105.19819    87.98513
    7     5 S   CO3  _C1_     7     1.53787   112.46082   -32.24104
    8     7 S   O2Z  _O11     8     1.26369   115.00230   -42.34495
    9     7 S   O2Z  _O12     9     1.26238   114.94699   136.78807
   10     5 S   CT   _CB1    10     1.53082   107.42209  -154.03719
   11    10 S   HC   HB11    11     1.09831   109.36070   -49.84090
   12    10 S   HC   HB12    12     1.09813   110.44411    66.76132
   13    10 S   CT   _CG1    13     1.52989   112.61781  -170.83809
   14    13 S   HC   HG11    14     1.09585   110.60202   -65.54859
   15    13 S   HC   HG12    15     1.09670   109.81385    53.68467
   16    13 S   C    _CD1    16     1.51801   112.25889   174.11790
   17    16 S   O    _OE1    17     1.22728   123.29979     5.71124
   18    16 S   N    _N2_    18     1.38653   111.64801  -174.36132
   19    18 S   H    _HN2    19     1.01583   118.93471     1.71954
   20    18 S   CT1  _CA2    20     1.46192   123.38694   177.73601
   21    20 S   HC   _HA2    21     1.09736   109.37674     1.31239
   22    20 S   C    _C2_    22     1.53522   108.61527  -114.18396
   23    22 S   O    _O2_    23     1.23057   122.27673  -148.05427
   24    20 S   CT   _CB2    32     1.53311   111.54730   123.33447
   25    24 S   HC   HB21    33     1.09511   110.02247    56.42352
   26    24 S   HC   HB22    34     1.09522   110.19185   175.40321
   27    22 S   N    _N3_    24     1.38328   113.69034    39.40086
   28    27 S   H    _HN3    25     1.01593   119.57983    -3.38732
   29    24 S   S    _SG2    35     1.82756   111.48603   -64.99713
   30    27 S   CT   _CA3    26     1.45288   123.19271   177.08415
   31    30 S   HC   HA31    27     1.09550   107.51304   -64.40720
   32    30 S   HC   HA32    28     1.09557   107.97641    52.02335
   33    29 S   CT   _C16    36     1.83387    99.48259   179.08379
   34    33 S   HC   _H3_    37     1.09599   106.46091    44.46478
   35    30 S   CO3  _C3_    29     1.52955   114.09541   174.01755
   36    35 S   O2Z  _O31    30     1.26374   116.06664    -0.72064
   37    35 S   O2Z  _O32    31     1.26430   114.41061   179.33854
   38    33 S   CT   _C9_    38     1.53232   112.52754   -75.44817
   39    38 S   HC   _H26    39     1.09527   110.36476   146.42266
   40    38 S   HC   _H27    40     1.09229   114.50091    21.98734
   41    38 S   CO4  _C6_    41     1.51166   103.82215   -98.56677
   42    41 S   O    _O19    42     1.22631   122.61994   174.11254
   43    41 S   CT   _C17    43     1.53338   113.02061    -5.19116
   44    33 S   CT   _C12    44     1.55062   115.84007   166.36447
   45    44 S   HC   _H31    45     1.10217   102.72437  -164.23191
   46    43 S   CT   _C15    62     1.55240   109.81676  -137.38871
   47    46 S   HC   _H34    63     1.09915   107.00828   -51.90519
   48    43 S   CT   _C20    75     1.53817   104.56714   101.88184
   49    48 S   HC   _H42    76     1.08992   112.90580  -153.01929
   50    48 S   HC   _H43    77     1.09597   110.82284    85.38585
   51    48 S   HC   _H44    78     1.09487   112.82601   -31.38357
   52    44 S   CT   _C13    46     1.54181   118.48374   -49.46155
   53    52 S   HC   _H32    47     1.09471   110.77681    71.47978
   54    46 S   OS   _O22    64     1.45800   108.08389    62.89682
   55    52 S   CT   _C10    48     1.54611   111.17255  -166.56929
   56    55 S   HC   _H28    49     1.09741   110.40042    52.09457
   57    55 S   HC   _H29    50     1.09955   106.82597   166.58146
   58    54 S   CO4  _C8_    65     1.36293   118.16897  -145.32083
   59    58 S   O    _O20    66     1.22292   126.43973    -1.67491
   60    52 S   CT   _C19    71     1.54119   110.99418   -47.39391
   61    60 S   HC   _H39    72     1.09557   111.14994   -57.45157
   62    60 S   HC   _H40    73     1.09574   110.80270  -177.38551
   63    60 S   HC   _H41    74     1.09261   112.18218    63.65418
   64    55 S   CT   _C14    51     1.52397   117.87831   -74.82549
   65    64 S   HC   _H33    52     1.10150   105.39665  -164.18193
   66    58 S   CT   _C18    67     1.49815   109.41062   178.71184
   67    66 S   HC   _H36    68     1.09298   109.81982   -59.91656
   68    66 S   HC   _H37    69     1.09375   109.37137  -178.90568
   69    66 S   HC   _H38    70     1.09287   109.80320    61.96113
   70    64 S   CT   _C11    53     1.52369   119.90961    74.97558
   71    70 S   HC   _H30    54     1.09915   106.36744    94.81487
   72    70 S   CM   _C4_    55     1.49396    99.46121  -152.85876
   73    72 S   CO4  _C5_    56     1.47625   109.77917    18.34244
   74    73 S   O    _O18    57     1.21715   127.12980   172.98197
   75    72 S   CM   _C7_    59     1.33592   128.11542  -159.85469
   76    75 S   HC   _H24    60     1.08524   120.73559    -0.96712
   77    75 S   HC   _H25    61     1.08506   121.77238   179.06623
   78    64 S   OS   _O21    58     1.43624   111.06103   -50.98821
  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
  15   8   2   1   1  10   5   4  13   4  18  19   6  19   7   6
   2   1   1  12   8  10  13   6   5   6   4   4   2   1   1   8
   5   3   2   1   1   8   4   6   5   2   3   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    52    53    55    46    60    48  
   38    39    40    41    43    44    45    52  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    52    46    48  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    52    70    46    47    54    48    49    50    51  
   43    44    46    48  
   44    45    52    53    55    64    70    71    72    46    47    54    58    60    48    49    50    51  
   45    52    53    55    56    57    64    70    46    47    54    60    61    62    63    48    49    50    51  
   52    53    55    46    60    48  
   47    54    58    59    66    48    49    50    51    52    55    64    65    70    71    72    73    75    78  
   54    58    48    64    70    71    72  
   49    50    51    52    54    70  
   50    51  
   51  
    0  
   53    55    56    57    64    65    70    78    60    61    62    63  
   55    56    57    64    60    61    62    63  
   58    59    66    67    68    69    64    70    71    72  
   56    57    64    65    70    71    72    73    78    60    61    62    63  
   57    64    65    70    78    60  
   64    65    70    78    60  
   59    66    67    68    69    70  
   66    67    68    69  
   61    62    63    64  
   62    63  
   63  
    0  
   65    70    71    72    73    74    78    75  
   70    71    72    73    78  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    78    75    76    77  
   72    73    78    75  
   73    74    78    75    76    77  
   74    78    75    76    77  
   78    75  
   76    77    78  
   77  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    48   268.000  1.529
   44    45   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    60   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    78   320.000  1.410
   70    71   340.000  1.090
   70    72   317.000  1.510
   70    46   268.000  1.529
   72    73   320.000  1.462
   72    75   549.000  1.340
   73    74   570.000  1.229
   73    78   214.000  1.327
   75    76   340.000  1.080
   75    77   340.000  1.080
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    58   214.000  1.327
   58    59   570.000  1.229
   58    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    58.35000  112.70000
   33    44    45    37.50000  110.70000
   33    44    52    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    48    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    46    70    58.35000  112.70000
   43    46    47    37.50000  110.70000
   43    46    54    50.00000  109.50000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    51    37.50000  110.70000
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    55    58.35000  112.70000
   44    52    60    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    63    37.50000  110.70000
   55    52    53    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    70    58.35000  112.70000
   55    64    78    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    70.00000  112.02700
   64    70    46    58.35000  112.70000
   64    78    73    83.00000  116.90000
   70    64    65    37.50000  110.70000
   70    72    73    65.00000  116.34900
   70    72    75    70.00000  124.00000
   70    46    47    37.50000  110.70000
   70    46    54    50.00000  109.50000
   72    70    71    35.00000  109.50000
   72    73    74    80.00000  123.72100
   72    73    78    90.00000  111.29400
   72    75    76    35.00000  120.00000
   72    75    77    35.00000  120.00000
   78    64    65    35.00000  109.50000
   78    64    70    50.00000  109.50000
   78    73    74    83.00000  123.40000
   75    72    73    65.00000  118.96000
   77    75    76    35.00000  117.00000
   46    43    44    58.35000  112.70000
   46    70    71    37.50000  110.70000
   46    70    72    70.00000  112.02700
   46    54    58    83.00000  116.90000
   54    46    47    35.00000  109.50000
   54    58    59    83.00000  123.40000
   54    58    66    81.00000  111.40000
   58    66    67    35.00000  109.50000
   58    66    68    35.00000  109.50000
   58    66    69    35.00000  109.50000
   66    58    59    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    55    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   48    43    44    58.35000  112.70000
   48    43    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.44750  1.0 1.0
   29    33    44    43  -0.17800 -1.0 2.0
   29    33    44    43   0.20200  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    52   0.44750  1.0 1.0
   29    33    44    52  -0.17800 -1.0 2.0
   29    33    44    52   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    44    52    53   0.15000  1.0 3.0
   33    44    52    55   0.56750  1.0 1.0
   33    44    52    55  -0.07550 -1.0 2.0
   33    44    52    55   0.20000  1.0 3.0
   33    44    52    60   0.56750  1.0 1.0
   33    44    52    60  -0.07550 -1.0 2.0
   33    44    52    60   0.20000  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    41  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    52   0.15000  1.0 3.0
   38    33   -44    43   0.56750  1.0 1.0
   38    33   -44    43  -0.07550 -1.0 2.0
   38    33   -44    43   0.20000  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    52   0.56750  1.0 1.0
   38    33    44    52  -0.07550 -1.0 2.0
   38    33    44    52   0.20000  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    46   0.60050  1.0 1.0
   38    41    43    46   0.05600 -1.0 2.0
   38    41    43    46   0.26150  1.0 3.0
   38    41    43    48   0.60050  1.0 1.0
   38    41    43    48   0.05600 -1.0 2.0
   38    41    43    48   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33  -0.95700  1.0 1.0
   41    43   -44    33  -0.18200 -1.0 2.0
   41    43   -44    33   0.29450  1.0 3.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    46    70  -0.95700  1.0 1.0
   41    43    46    70  -0.18200 -1.0 2.0
   41    43    46    70   0.29450  1.0 3.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    54  -0.09450  1.0 1.0
   41    43    46    54  -1.12950 -1.0 2.0
   41    43    46    54   0.54000  1.0 3.0
   41    43    48    49  -0.11250  1.0 3.0
   41    43    48    50  -0.11250  1.0 3.0
   41    43    48    51  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    48   0.30150 -1.0 2.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    55   0.56750  1.0 1.0
   43    44    52    55  -0.07550 -1.0 2.0
   43    44    52    55   0.20000  1.0 3.0
   43    44    52    60   0.56750  1.0 1.0
   43    44    52    60  -0.07550 -1.0 2.0
   43    44    52    60   0.20000  1.0 3.0
   43    46    54    58  -0.25900  1.0 1.0
   43    46    54    58  -0.47000 -1.0 2.0
   43    46    54    58   0.11750  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    70   0.56750  1.0 1.0
   44    43    46    70  -0.07550 -1.0 2.0
   44    43    46    70   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    54   0.62750  1.0 1.0
   44    43    46    54  -0.30950 -1.0 2.0
   44    43    46    54   0.27300  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    64   0.56750  1.0 1.0
   44    52    55    64  -0.07550 -1.0 2.0
   44    52    55    64   0.20000  1.0 3.0
   44    52    60    61   0.15000  1.0 3.0
   44    52    60    62   0.15000  1.0 3.0
   44    52    60    63   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   45    44    52    60   0.15000  1.0 3.0
   52    55    64    65   0.15000  1.0 3.0
   52    55    64    70   0.56750  1.0 1.0
   52    55    64    70  -0.07550 -1.0 2.0
   52    55    64    70   0.20000  1.0 3.0
   52    55    64    78   0.62750  1.0 1.0
   52    55    64    78  -0.30950 -1.0 2.0
   52    55    64    78   0.27300  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    64   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    63   0.15000  1.0 3.0
   55    52    60    61   0.15000  1.0 3.0
   55    52    60    62   0.15000  1.0 3.0
   55    52    60    63   0.15000  1.0 3.0
   55    64    70    71   0.15000  1.0 3.0
   55    64    70    72   0.34400  1.0 1.0
   55    64    70    72   0.09450 -1.0 2.0
   55    64    70    72   0.11100  1.0 3.0
   55    64    70    46   0.56750  1.0 1.0
   55    64    70    46  -0.07550 -1.0 2.0
   55    64    70    46   0.20000  1.0 3.0
   55    64    78    73  -0.25900  1.0 1.0
   55    64    78    73  -0.47000 -1.0 2.0
   55    64    78    73   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    70   0.15000  1.0 3.0
   56    55    64    78   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    70   0.15000  1.0 3.0
   57    55    64    78   0.23400  1.0 3.0
   64    70   -72    73   0.09700  1.0 1.0
   64    70   -72    73   0.15600 -1.0 2.0
   64    70   -72    73  -0.50800  1.0 3.0
   64    70    72    75   0.09850  1.0 1.0
   64    70    72    75   0.15250 -1.0 2.0
   64    70    72    75  -0.50650  1.0 3.0
   64    70    46    43   0.56750  1.0 1.0
   64    70    46    43  -0.07550 -1.0 2.0
   64    70    46    43   0.20000  1.0 3.0
   64    70    46    47   0.15000  1.0 3.0
   64    70    46    54   0.62750  1.0 1.0
   64    70    46    54  -0.30950 -1.0 2.0
   64    70    46    54   0.27300  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    72   0.15000  1.0 3.0
   65    64    70    46   0.15000  1.0 3.0
   65    64    78    73   0.08050  1.0 3.0
   70    64   -78    73  -0.25900  1.0 1.0
   70    64   -78    73  -0.47000 -1.0 2.0
   70    64   -78    73   0.11750  1.0 3.0
   70    72    73    74  -0.64400  1.0 1.0
   70    72    73    74   0.26850 -1.0 2.0
   70    72   -73    78  -0.15000  1.0 1.0
   70    72   -73    78   0.89550 -1.0 2.0
   70    72   -73    78  -0.06900  1.0 3.0
   70    72    75    76   7.00000 -1.0 2.0
   70    72    75    77   7.00000 -1.0 2.0
   70    46    54    58  -0.25900  1.0 1.0
   70    46    54    58  -0.47000 -1.0 2.0
   70    46    54    58   0.11750  1.0 3.0
   71    70    72    73   0.15000  1.0 3.0
   71    70    72    75   0.00000  1.0 1.0
   71    70    46    43   0.15000  1.0 3.0
   71    70    46    47   0.15000  1.0 3.0
   71    70    46    54   0.23400  1.0 3.0
   72    70    46    43   0.34400  1.0 1.0
   72    70    46    43   0.09450 -1.0 2.0
   72    70    46    43   0.11100  1.0 3.0
   72    70    46    47   0.15000  1.0 3.0
   72    70    46    54   0.61850  1.0 1.0
   72    70    46    54  -0.22750 -1.0 2.0
   72    70    46    54   0.15300  1.0 3.0
   72    73   -78    64   2.00000 -1.0 2.0
   73    72    75    76   7.00000 -1.0 2.0
   73    72    75    77   7.00000 -1.0 2.0
   74    73    78    64   3.00000 -1.0 2.0
   78    64    70    71   0.23400  1.0 3.0
   78    64   -70    72   0.61850  1.0 1.0
   78    64   -70    72  -0.22750 -1.0 2.0
   78    64   -70    72   0.15300  1.0 3.0
   78    64    70    46   0.62750  1.0 1.0
   78    64    70    46  -0.30950 -1.0 2.0
   78    64    70    46   0.27300  1.0 3.0
   75    72    73    74   1.00000 -1.0 2.0
   75    72    73    78  -0.56150  1.0 1.0
   75    72    73    78   2.19150 -1.0 2.0
   46    43    44    33   0.56750  1.0 1.0
   46    43    44    33  -0.07550 -1.0 2.0
   46    43    44    33   0.20000  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    52   0.56750  1.0 1.0
   46    43    44    52  -0.07550 -1.0 2.0
   46    43    44    52   0.20000  1.0 3.0
   46    43    48    49   0.15000  1.0 3.0
   46    43    48    50   0.15000  1.0 3.0
   46    43    48    51   0.15000  1.0 3.0
   46    70    72    73   0.09700  1.0 1.0
   46    70    72    73   0.15600 -1.0 2.0
   46    70    72    73  -0.50800  1.0 3.0
   46    70    72    75   0.09850  1.0 1.0
   46    70    72    75   0.15250 -1.0 2.0
   46    70    72    75  -0.50650  1.0 3.0
   46    54    58    59   3.00000 -1.0 2.0
   46    54    58    66   1.63150  1.0 1.0
   46    54    58    66   2.92000 -1.0 2.0
   47    46    54    58   0.08050  1.0 3.0
   54    58    66    67   0.00000  1.0 1.0
   54    58    66    68   0.00000  1.0 1.0
   54    58    66    69   0.00000  1.0 1.0
   59    58    66    67   0.00000  1.0 1.0
   59    58    66    68   0.00000  1.0 1.0
   59    58    66    69   0.00000  1.0 1.0
   60    52    55    56   0.15000  1.0 3.0
   60    52    55    57   0.15000  1.0 3.0
   60    52    55    64   0.56750  1.0 1.0
   60    52    55    64  -0.07550 -1.0 2.0
   60    52    55    64   0.20000  1.0 3.0
   48    43    44    33   0.56750  1.0 1.0
   48    43    44    33  -0.07550 -1.0 2.0
   48    43    44    33   0.20000  1.0 3.0
   48    43    44    45   0.15000  1.0 3.0
   48    43    44    52   0.56750  1.0 1.0
   48    43    44    52  -0.07550 -1.0 2.0
   48    43    44    52   0.20000  1.0 3.0
   48    43    46    70   0.56750  1.0 1.0
   48    43    46    70  -0.07550 -1.0 2.0
   48    43    46    70   0.20000  1.0 3.0
   48    43    46    47   0.15000  1.0 3.0
   48    43    46    54   0.62750  1.0 1.0
   48    43    46    54  -0.30950 -1.0 2.0
   48    43    46    54   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   70    73    72    75   1.10000 -1.0 2.0
   72    78    73    74  10.50000 -1.0 2.0
   76    77    75    72   1.10000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
END
