* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    140    226     415
    1     0 S   NP   _N1_     1    29.55146    96.87814   -26.14306
    2     1 S   H    _HN1     2     1.02946    69.57921    -7.78276
    3     1 S   H    _H1_     3     1.02823    39.63283  -168.07671
    4     1 S   H    _H2_     4     1.02806   132.20225  -104.48851
    5     1 S   CT   _CA1     5     1.50145   112.84129    96.52381
    6     5 S   HC   _HA1     6     1.09575   105.13389   102.04897
    7     5 S   CO3  _C1_     7     1.53749   112.50722   -18.16188
    8     7 S   O2Z  _O11     8     1.26385   115.00123   -41.73832
    9     7 S   O2Z  _O12     9     1.26234   114.93852   137.21964
   10     5 S   CT   _CB1    10     1.53039   107.39320  -139.96760
   11    10 S   HC   HB11    11     1.09854   109.29255   -48.93976
   12    10 S   HC   HB12    12     1.09813   110.48427    67.62563
   13    10 S   CT   _CG1    13     1.53074   112.70275  -169.84013
   14    13 S   HC   HG11    14     1.09555   110.86106   -69.30660
   15    13 S   HC   HG12    15     1.09662   109.61050    49.96483
   16    13 S   C    _CD1    16     1.51816   111.58730   170.57193
   17    16 S   O    _OE1    17     1.22787   122.98918    19.81850
   18    16 S   N    _N2_    18     1.38629   112.09855  -160.10318
   19    18 S   H    _HN2    19     1.01570   119.02379     0.34378
   20    18 S   CT1  _CA2    20     1.46208   123.29601   175.23815
   21    20 S   HC   _HA2    21     1.09738   109.25321    10.73136
   22    20 S   C    _C2_    22     1.53790   108.97649  -104.83504
   23    22 S   O    _O2_    23     1.23110   122.18203  -148.87438
   24    20 S   CT   _CB2    32     1.53300   111.74950   132.82447
   25    24 S   HC   HB21    33     1.09587   110.12882    56.52703
   26    24 S   HC   HB22    34     1.09427   109.75456   175.47762
   27    22 S   N    _N3_    24     1.38277   113.98088    38.57537
   28    27 S   H    _HN3    25     1.01514   119.66153    -2.84248
   29    24 S   S    _SG2    35     1.82606   111.75703   -64.54898
   30    27 S   CT   _CA3    26     1.45284   123.38591   177.41101
   31    30 S   HC   HA31    27     1.09544   107.48800   -65.72518
   32    30 S   HC   HA32    28     1.09554   108.04379    50.76324
   33    29 S   CT   _C16    36     1.85281    99.50142   175.92475
   34    33 S   HC   _H5_    37     1.09691   106.62471   -44.09874
   35    30 S   CO3  _C3_    29     1.53007   113.98152   172.78221
   36    35 S   O2Z  _O31    30     1.26398   116.08264    -0.49732
   37    35 S   O2Z  _O32    31     1.26422   114.42186   179.56659
   38    33 S   CM   _C12    38     1.52763   109.16988    75.68669
   39    38 S   CT   _C13    39     1.51758   113.71068    74.37730
   40    39 S   HC   _H10    40     1.09310   112.45325   170.39323
   41    39 S   HC   _H11    41     1.09761   108.50216   -73.01202
   42    38 S   CM   _C11    54     1.34678   119.66973  -107.67235
   43    42 S   HC   _H9_    55     1.08580   118.63025     0.74230
   44    39 S   CT1  _C14    42     1.53492   111.45848    49.13580
   45    44 S   HC   _H3_    43     1.09920   109.16040    67.73704
   46    42 S   CG   _C10    56     1.48092   124.43131   179.07613
   47    46 S   HC   _H8_    57     1.09444   116.85792    -1.71429
   48    44 S   NT   _N5_    44     1.47520   111.37094   -53.31057
   49    48 S   H    _H12    45     1.02290   109.01449   179.02201
   50    44 S   CO3  _C18    51     1.54645   113.87387  -173.05516
   51    50 S   O2Z  _O40    52     1.26318   116.55904     8.10193
   52    50 S   O2Z  _O39    53     1.26710   114.56834  -170.50243
   53    46 S   NIP  _N4_    58     1.29076   124.14330  -179.67076
   54    33 S   CT1  _C15    46     1.54265   112.94563  -162.34444
   55    54 S   HC   _H4_    47     1.10103   108.01656   175.11400
   56    53 S   CM   _C6_    59     1.40842   122.80607   176.68129
   57    54 S   CO3  _C17    48     1.55018   116.73147    58.96396
   58    57 S   O2Z  _O38    49     1.26480   115.60681    21.18817
   59    57 S   O2Z  _O37    50     1.26608   115.77900  -161.98309
   60    56 S   CM   _C5_    60     1.33661   112.06503  -164.01149
   61    60 S   CM   _C4_    61     1.42436   123.59240   179.55809
   62    61 S   HC   _H7_    62     1.08372   119.38116  -179.09669
   63    60 S   CT   _C20    70     1.49076   111.25900    -0.99485
   64    63 S   HC   _H13    71     1.09657   110.10562   110.22012
   65    63 S   HC   _H14    72     1.09519   112.28243  -129.18537
   66    61 S   CM   _C8_    63     1.33702   117.68716     0.26761
   67    53 S   CT1  _C19    73     1.50900   129.63922     4.47032
   68    67 S   HC   _H6_    74     1.09628   108.54740    41.54668
   69    66 S   OS   _O34    64     1.42220   121.28130     1.05647
   70    66 S   CO3  _C9_    67     1.54260   122.64654  -179.33265
   71    70 S   O2Z  _O36    68     1.26529   115.00536  -178.85124
   72    70 S   O2Z  _O35    69     1.26439   116.09044     1.27180
   73    67 S   CO3  _C21    75     1.53709   108.23173   -79.84506
   74    73 S   O2Z  _O42    76     1.26283   116.22949   -68.18573
   75    73 S   O2Z  _O41    77     1.26403   114.40539   111.77467
   76    56 S   CO4  _C7_    65     1.48362   128.70771    18.97751
   77    76 S   O    _O33    66     1.22507   123.28111     2.13029
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  16   7   2   1   1  15  13   6   5   8   3   9   6   9   3   9
   4   3   1   1  14   4   3  13   2   1   1  13  11   4   9   4
   3   6   5   3   5   3   1   1   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    55    57    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    55    57    58    59    42    43    46  
   38    39    48    54    55    57    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    55    57    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    56    67    44    54  
   46    47    53  
   45    48    49    54    55    57    50    51    52  
   48    49    54    50    51    52  
   47    53    56    60    76    63    67    68    73  
   53    56    67  
   49    54    55    57    58    59    50    51    52  
   54    55    57    50  
   51    52    54  
   52  
    0  
   56    60    61    69    76    77    63    64    65    67    68    73    74    75  
   55    57    58    59  
   57    58    59  
   60    61    62    66    69    76    77    63    64    65    67    68    73  
   58    59  
   59  
    0  
   61    62    66    69    76    77    70    63    64    65    67    68    73  
   62    66    69    76    70    71    72    63    64    65    67  
   66    69    70    63  
   64    65    67    68    73    74    75    66    76  
   65    67    68    73  
   67    68    73  
   69    76    77    70    71    72  
   68    73    74    75    76  
   73    74    75  
   76    77    70    71    72  
   71    72    76  
   72  
    0  
   74    75  
   75  
    0  
   77  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.3000   0.1700  -0.625000   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   60   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    54   268.000  1.529
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   305.000  1.457
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   305.000  1.457
   54    55   340.000  1.090
   54    57   317.000  1.522
   57    58   656.000  1.250
   57    59   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    56   335.000  1.413
   53    67   280.000  1.462
   56    60   549.000  1.340
   56    76   320.000  1.462
   60    61   380.000  1.444
   60    63   317.000  1.510
   61    62   340.000  1.080
   61    66   549.000  1.340
   66    69   440.000  1.360
   66    70   230.000  1.545
   69    76   214.000  1.327
   76    77   570.000  1.229
   70    71   656.000  1.250
   70    72   656.000  1.250
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
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  112.20000
   29    33    54    75.00000  108.68000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    80.00000  111.22000
   33    54    55    37.50000  110.70000
   33    54    57    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.22000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    50.00000  111.55300
   44    48    54    51.80000  107.20000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  109.55000
   48    54    55    50.00000  109.55000
   48    54    57    75.00000  111.54000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.02700
   54    48    49    50.00000  111.55300
   54    57    58    70.00000  117.00000
   54    57    59    70.00000  117.00000
   57    54    55    35.00000  109.50000
   59    57    58    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  111.54000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    56    70.00000  118.46000
   46    53    67    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    56    60    70.00000  113.56000
   53    56    76    70.00000  120.00000
   53    67    63    75.00000  111.57000
   53    67    68    50.00000  106.46400
   53    67    73    75.00000  110.00000
   56    60    61    70.00000  123.01800
   56    60    63    70.00000  124.00000
   56    76    69    90.00000  111.29400
   56    76    77    80.00000  123.72100
   60    61    62    35.00000  120.00000
   60    61    66    70.00000  123.01800
   60    63    64    35.00000  109.50000
   60    63    65    35.00000  109.50000
   60    63    67    70.00000  112.02700
   61    66    69    80.00000  120.01400
   61    66    70    55.00000  124.75400
   66    61    62    35.00000  120.00000
   66    69    76    90.00000  114.22900
   66    70    71    85.00000  113.83300
   66    70    72    85.00000  113.83300
   69    76    77    83.00000  123.40000
   76    56    60    65.00000  118.96000
   70    66    69    80.00000  119.00000
   72    70    71    80.00000  126.00000
   63    60    61    70.00000  124.00000
   63    67    68    37.50000  110.70000
   63    67    73    63.00000  111.10000
   65    63    64    33.00000  107.80000
   67    53    56    70.00000  121.00000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    73    74    70.00000  117.00000
   67    73    75    70.00000  117.00000
   73    67    68    35.00000  109.50000
   75    73    74    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.56750  1.0 1.0
   29    33    54    48  -0.07550 -1.0 2.0
   29    33    54    48   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    57  -2.17200  1.0 1.0
   29    33    54    57  -0.85700 -1.0 2.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    57    58   0.00000  1.0 1.0
   33    54    57    59   0.00000  1.0 1.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    57  -0.03800  1.0 3.0
   38    33    54    48   0.59950  1.0 1.0
   38    33    54    48  -0.21400 -1.0 2.0
   38    33    54    48   0.56200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    57  -0.98800  1.0 1.0
   38    33    54    57   0.48800 -1.0 2.0
   38    33    54    57   0.76800  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.59950  1.0 1.0
   38    39   -44    48  -0.21400 -1.0 2.0
   38    39   -44    48   0.56200  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49  -0.15950  1.0 1.0
   39    44    48    49   0.34650 -1.0 2.0
   39    44    48    49   0.05750  1.0 3.0
   39    44    48    54   0.23450  1.0 1.0
   39    44    48    54   0.02050 -1.0 2.0
   39    44    48    54   0.25250  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   0.23450  1.0 1.0
   44    48   -54    33   0.02050 -1.0 2.0
   44    48   -54    33   0.25250  1.0 3.0
   44    48    54    55   0.28000  1.0 3.0
   44    48    54    57  -1.76800  1.0 1.0
   44    48    54    57   1.02600 -1.0 2.0
   44    48    54    57   0.19700  1.0 3.0
   45    44    48    49   0.20000  1.0 3.0
   45    44    48    54   0.28000  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    54    57    58   0.30150 -1.0 2.0
   48    54    57    59   0.30150 -1.0 2.0
   49    48    54    33  -0.15950  1.0 1.0
   49    48    54    33   0.34650 -1.0 2.0
   49    48    54    33   0.05750  1.0 3.0
   49    48    54    55   0.20000  1.0 3.0
   49    48    54    57   0.21900  1.0 1.0
   49    48    54    57  -0.24900 -1.0 2.0
   49    48    54    57   0.15200  1.0 3.0
   54    33   -38    39   0.46850  1.0 1.0
   54    33   -38    39   0.08550 -1.0 2.0
   54    33   -38    39   0.09800  1.0 3.0
   54    33    38    42   0.09850  1.0 1.0
   54    33    38    42   0.15250 -1.0 2.0
   54    33    38    42  -0.50650  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   50    44    48    49   0.21900  1.0 1.0
   50    44    48    49  -0.24900 -1.0 2.0
   50    44    48    49   0.15200  1.0 3.0
   50    44    48    54  -1.76800  1.0 1.0
   50    44    48    54   1.02600 -1.0 2.0
   50    44    48    54   0.19700  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    56   2.00000 -1.0 2.0
   42    46    53    67   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    56    60   5.00000 -1.0 2.0
   46    53    56    76   5.00000 -1.0 2.0
   46    53    67    63   0.00000  1.0 1.0
   46    53    67    68  -0.22200  1.0 3.0
   46    53    67    73   0.00000  1.0 1.0
   47    46    53    56   2.00000 -1.0 2.0
   47    46    53    67   2.00000 -1.0 2.0
   53    56    60    61   7.00000 -1.0 2.0
   53    56   -60    63   7.00000 -1.0 2.0
   53    56    76    69   1.50000 -1.0 2.0
   53    56    76    77  -0.52200  1.0 1.0
   53    56    76    77   0.82950 -1.0 2.0
   53    67    73    74   0.30150 -1.0 2.0
   53    67    73    75   0.30150 -1.0 2.0
   56    53   -67    63   0.00000  1.0 1.0
   56    53    67    68   0.00000  1.0 1.0
   56    53    67    73   0.00000  1.0 1.0
   56    60    61    62  -0.18600  1.0 3.0
   56    60    61    66   0.28850  1.0 1.0
   56    60    61    66   2.61350 -1.0 2.0
   56    60    61    66   0.78400  1.0 3.0
   56    60    63    64   0.00000  1.0 1.0
   56    60    63    65   0.00000  1.0 1.0
   56    60   -63    67   0.09850  1.0 1.0
   56    60   -63    67   0.15250 -1.0 2.0
   56    60   -63    67  -0.50650  1.0 3.0
   60    56    76    69  -0.56150  1.0 1.0
   60    56    76    69   2.19150 -1.0 2.0
   60    56    76    77   1.00000 -1.0 2.0
   60    61   -66    69   7.00000 -1.0 2.0
   60    61    66    70   7.00000 -1.0 2.0
   60    63   -67    53   0.56750  1.0 1.0
   60    63   -67    53  -0.07550 -1.0 2.0
   60    63   -67    53   0.20000  1.0 3.0
   60    63    67    68   0.15000  1.0 3.0
   60    63    67    73  -0.98800  1.0 1.0
   60    63    67    73   0.48800 -1.0 2.0
   60    63    67    73   0.76800  1.0 3.0
   61    60    63    64   0.00000  1.0 1.0
   61    60    63    65   0.00000  1.0 1.0
   61    60    63    67   0.98200  1.0 1.0
   61    60    63    67  -0.11900 -1.0 2.0
   61    60    63    67   0.24250  1.0 3.0
   61    66    69    76  -1.93650  1.0 1.0
   61    66    69    76   2.17750 -1.0 2.0
   61    66    69    76  -0.40250  1.0 3.0
   61    66    70    71  -0.04000 -1.0 2.0
   61    66    70    71  -0.29050  1.0 3.0
   61    66    70    72  -0.04000 -1.0 2.0
   61    66    70    72  -0.29050  1.0 3.0
   62    61    66    69   7.00000 -1.0 2.0
   62    61    66    70   7.00000 -1.0 2.0
   66    69   -76    56   2.00000 -1.0 2.0
   66    69    76    77   3.00000 -1.0 2.0
   69    66    70    71  -0.11900  1.0 1.0
   69    66    70    71   0.76850 -1.0 2.0
   69    66    70    71   0.14100  1.0 3.0
   69    66    70    72  -0.11900  1.0 1.0
   69    66    70    72   0.76850 -1.0 2.0
   69    66    70    72   0.14100  1.0 3.0
   76    56   -60    61   7.00000 -1.0 2.0
   76    56    60    63   7.00000 -1.0 2.0
   70    66    69    76   2.00000 -1.0 2.0
   63    60    61    62   0.00000  1.0 1.0
   63    60    61    66  -0.18600  1.0 3.0
   63    67    73    74   0.00000  1.0 1.0
   63    67    73    75   0.00000  1.0 1.0
   64    63    67    53   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    73  -0.03800  1.0 3.0
   65    63    67    53   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    73  -0.03800  1.0 3.0
   67    53   -56    60   5.00000 -1.0 2.0
   67    53    56    76   5.00000 -1.0 2.0
   68    67    73    74   0.00000  1.0 1.0
   68    67    73    75   0.00000  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
   33    39    38    42   1.10000 -1.0 2.0
   58    54    57    59  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   56    67    53    46   1.00000 -1.0 2.0
   53    76    56    60   1.10000 -1.0 2.0
   61    63    60    56   1.10000 -1.0 2.0
   60    62    61    66   1.10000 -1.0 2.0
   70    69    66    61   1.10000 -1.0 2.0
   56    69    76    77  10.50000 -1.0 2.0
   71    66    70    72  10.50000 -1.0 2.0
   74    67    73    75  10.50000 -1.0 2.0
END
