* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    141    198     406
    1     0 S   NP   _N1_     1    29.57687    91.99901   -23.75693
    2     1 S   H    _HN1     2     1.02959    92.37344    27.76343
    3     1 S   H    _H1_     3     1.02840    16.46357  -178.82464
    4     1 S   H    _H2_     4     1.02768   106.70683   -82.23903
    5     1 S   CT   _CA1     5     1.50118   124.36281   144.56773
    6     5 S   HC   _HA1     6     1.09573   105.21971    69.75997
    7     5 S   CO3  _C1_     7     1.53796   112.37652   -50.44067
    8     7 S   O2Z  _O11     8     1.26362   114.99000   -43.18850
    9     7 S   O2Z  _O12     9     1.26235   114.94335   135.94112
   10     5 S   CT   _CB1    10     1.53097   107.44516  -172.28581
   11    10 S   HC   HB11    11     1.09834   109.38272   -50.26586
   12    10 S   HC   HB12    12     1.09830   110.44487    66.31701
   13    10 S   CT   _CG1    13     1.53016   112.60982  -171.31773
   14    13 S   HC   HG11    14     1.09586   110.50570   -64.05018
   15    13 S   HC   HG12    15     1.09654   109.96913    55.24716
   16    13 S   C    _CD1    16     1.51715   112.22180   175.59278
   17    16 S   O    _OE1    17     1.22754   123.22746     0.13988
   18    16 S   N    _N2_    18     1.38644   111.76153  -179.87967
   19    18 S   H    _HN2    19     1.01604   119.12736     0.65102
   20    18 S   CT1  _CA2    20     1.46070   123.12011   179.38611
   21    20 S   HC   _HA2    21     1.09479   108.95568    -9.71420
   22    20 S   C    _C2_    22     1.53392   108.88494  -124.59373
   23    22 S   O    _O2_    23     1.23027   122.25409  -151.06967
   24    20 S   CT   _CB2    32     1.53469   112.04509   112.56903
   25    24 S   HC   HB21    33     1.09657   109.42840    64.43776
   26    24 S   HC   HB22    34     1.09521   110.92935  -178.40775
   27    22 S   N    _N3_    24     1.38298   113.50567    36.52161
   28    27 S   H    _HN3    25     1.01626   119.42370    -4.03832
   29    24 S   S    _SG2    35     1.82939   114.47516   -54.82394
   30    27 S   CT   _CA3    26     1.45262   123.27694   176.52357
   31    30 S   HC   HA31    27     1.09551   107.63675   -61.09218
   32    30 S   HC   HA32    28     1.09550   107.84054    55.35931
   33    29 S   CT   _C7_    36     1.83481   100.57387   -70.04962
   34    33 S   HC   _H3_    37     1.09304   109.63896    35.39115
   35    30 S   CO3  _C3_    29     1.52959   114.01832   177.33560
   36    35 S   O2Z  _O31    30     1.26391   116.01725     1.60937
   37    35 S   O2Z  _O32    31     1.26410   114.44177  -178.45389
   38    33 S   C    _C8_    38     1.52786   106.32392   153.58171
   39    38 S   O    _O35    39     1.22888   122.76428    75.61755
   40    33 S   CT   _C6_    71     1.53056   110.41194   -86.32744
   41    40 S   HC   _H9_    72     1.09698   110.73295   -66.93159
   42    40 S   HC   _H10    73     1.09589   111.24117    53.86688
   43    38 S   N    _N4_    40     1.38486   112.45131  -104.18661
   44    43 S   H    _H11    41     1.01628   119.39684     4.10150
   45    40 S   CO4  _C5_    74     1.51476   111.03888   172.49439
   46    45 S   O    _O34    75     1.22393   124.91005   -23.64789
   47    43 S   CT   _C9_    42     1.45361   123.63188  -176.04473
   48    47 S   HC   _H12    43     1.09544   108.83553   -36.13773
   49    47 S   HC   _H13    44     1.09579   105.88107  -151.61695
   50    45 S   OS   _O33    76     1.36473   109.32247   157.96560
   51    47 S   CT1  _C10    45     1.53415   112.81213    88.25127
   52    51 S   HC   _H4_    46     1.09810   108.09898   164.27283
   53    50 S   CT   _C4_    77     1.43038   115.13403  -179.36020
   54    53 S   HC   _H6_    78     1.09328   108.10949   178.15899
   55    53 S   HC   _H7_    79     1.09427   110.40087    59.44362
   56    53 S   HC   _H8_    80     1.09419   110.21811   -63.17504
   57    51 S   CO3  _C11    47     1.54204   110.06577   -79.60261
   58    57 S   O2Z  _O37    48     1.26474   115.62382   110.99777
   59    57 S   O2Z  _O36    49     1.26435   114.87374   -70.35434
   60    51 S   N    _N5_    50     1.46399   112.28174    46.72870
   61    60 S   H    _H14    51     1.01727   116.01359  -104.32967
   62    60 S   C    _C12    52     1.38126   123.84755    76.00758
   63    62 S   O    _O38    53     1.22905   125.07092    -1.77410
   64    62 S   CT1  _C13    54     1.52215   112.71003   177.49610
   65    64 S   HC   _H5_    55     1.09647   108.48191   -45.84453
   66    64 S   CTG  _C14    56     1.53362   112.96139    75.43372
   67    66 S   HC   _H15    57     1.09733   108.68815   -57.62745
   68    66 S   HC   _H16    58     1.09851   108.20842  -172.92410
   69    64 S   NP   _N6_    67     1.49238   110.39195  -160.50664
   70    69 S   H    _H22    68     1.02842   112.00163  -176.81390
   71    69 S   H    _H23    69     1.02912   110.70754    63.36662
   72    69 S   H    _H24    70     1.02884   111.73645   -55.29297
   73    66 S   CT   _C15    59     1.53083   114.56761    64.77359
   74    73 S   HC   _H17    60     1.09373   110.61855    60.53838
   75    73 S   HC   _H18    61     1.09371   110.74317   -60.19514
   76    73 S   S    _S1_    62     1.82221   109.54489   179.72732
   77    76 S   CT   _C16    63     1.80855    98.73650  -173.90848
   78    77 S   HC   _H19    64     1.09250   109.04556   177.42451
   79    77 S   HC   _H20    65     1.09304   110.44235    58.47151
   80    77 S   HC   _H21    66     1.09253   110.54561   -63.10270
  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
  12   7   2   1   1  11   4   7   4   3   8   4   6   2  10   5
   4   4   9   6   3   2   1   1   5   2   1   7   3  11   4  12
   8  11   6   5   4   2   1   1   7   3   2   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    40    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    47    40    41    42    45    46    50  
   38    39    43    40    41    42    45  
   36    37  
   37  
    0  
   39    43    44    47    48    49    51    40    41    42    45  
   43    44    47    40  
   41    42    45    46    50    53    43  
   42    45    46    50  
   45    46    50  
   44    47    48    49    51    52    57    60  
   47    48    49    51  
   46    50    53    54    55    56  
   50    53  
   48    49    51    52    57    58    59    60    61    62  
   49    51    52    57    60  
   51    52    57    60  
   53    54    55    56  
   52    57    58    59    60    61    62    63    64  
   57    58    59    60    61    62  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62  
   59    60  
   60  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64    65    66    67    68    73    69    70    71    72  
   64    65    66    69  
   65    66    67    68    73    74    75    76    69    70    71    72  
   66    67    68    73    69    70    71    72  
   67    68    73    74    75    76    77    69    70    71    72  
   68    73    74    75    76    69  
   73    74    75    76    69  
   70    71    72    73  
   71    72  
   72  
    0  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   44   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   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   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   70   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   71   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   72   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   77   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   490.000  1.335
   43    44   434.000  1.010
   43    47   337.000  1.449
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   317.000  1.522
   51    60   337.000  1.449
   57    58   656.000  1.250
   57    59   656.000  1.250
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   367.000  1.471
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   222.000  1.810
   76    77   222.000  1.810
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    70   434.000  1.010
   69    71   434.000  1.010
   69    72   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   317.000  1.522
   45    46   570.000  1.229
   45    50   214.000  1.327
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.60000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    43    44    35.00000  119.80000
   38    43    47    50.00000  121.90000
   43    38    39    80.00000  122.90000
   43    47    48    35.00000  109.50000
   43    47    49    35.00000  109.50000
   43    47    51    70.00000  110.72300
   47    43    44    38.00000  118.40000
   47    51    52    37.50000  110.70000
   47    51    57    63.00000  111.10000
   47    51    60    80.00000  109.70000
   49    47    48    33.00000  107.80000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    57    58    70.00000  117.00000
   51    57    59    70.00000  117.00000
   51    60    61    38.00000  118.40000
   51    60    62    50.00000  121.90000
   57    51    52    35.00000  109.50000
   59    57    58    80.00000  126.00000
   60    51    52    35.00000  109.50000
   60    51    57    63.00000  110.10000
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    63.00000  111.10000
   62    64    69    80.00000  111.20000
   64    62    63    80.00000  120.40000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    73    58.35000  112.70000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    35.00000  109.50000
   66    64    65    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    50.00000  114.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    76    77    62.00000   98.90000
   75    73    74    33.00000  107.80000
   76    73    74    35.00000  109.50000
   76    73    75    35.00000  109.50000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    80.00000  111.20000
   71    69    70    35.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    45    46    80.00000  120.40000
   40    45    50    81.00000  111.40000
   42    40    41    33.00000  107.80000
   45    40    41    35.00000  109.50000
   45    40    42    35.00000  109.50000
   45    50    53    83.00000  116.90000
   50    45    46    83.00000  123.40000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    38    43    44   2.45000 -1.0 2.0
   33    38    43    47   1.49850  1.0 1.0
   33    38    43    47   1.53950 -1.0 2.0
   33    40    45    46   0.30150 -1.0 2.0
   33    40    45    50   0.36750  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    45  -0.11250  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    33    40    45   0.11950  1.0 1.0
   38    33    40    45   0.20300 -1.0 2.0
   38    33    40    45  -0.70800  1.0 3.0
   38    43    47    48   0.00000  1.0 1.0
   38    43    47    49   0.00000  1.0 1.0
   38    43    47    51  -0.43950  1.0 1.0
   38    43    47    51  -0.08100 -1.0 2.0
   38    43    47    51   0.03350  1.0 3.0
   39    38    43    44   2.45000 -1.0 2.0
   39    38    43    47   3.04450 -1.0 2.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    57  -4.61400  1.0 1.0
   43    47    51    60   2.20050  1.0 1.0
   43    47    51    60   0.63450 -1.0 2.0
   43    47    51    60  -0.91300  1.0 3.0
   44    43    47    48   0.00000  1.0 1.0
   44    43    47    49   0.00000  1.0 1.0
   44    43    47    51   0.00000  1.0 1.0
   47    51    57    58   0.00000  1.0 1.0
   47    51    57    59   0.00000  1.0 1.0
   47    51    60    61   0.00000  1.0 1.0
   47    51    60    62   0.25950  1.0 1.0
   47    51    60    62   0.43850 -1.0 2.0
   47    51    60    62   2.61650  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57  -0.03800  1.0 3.0
   48    47    51    60   0.23200  1.0 3.0
   49    47    51    52   0.15000  1.0 3.0
   49    47    51    57  -0.03800  1.0 3.0
   49    47    51    60   0.23200  1.0 3.0
   51    60    62    63   3.04450 -1.0 2.0
   51    60    62    64   1.15000  1.0 1.0
   51    60    62    64   3.04450 -1.0 2.0
   52    51    57    58   0.00000  1.0 1.0
   52    51    57    59   0.00000  1.0 1.0
   52    51    60    61   0.00000  1.0 1.0
   52    51    60    62   0.00000  1.0 1.0
   57    51    60    61   0.00000  1.0 1.0
   57    51    60    62  -0.29800  1.0 1.0
   57    51    60    62   0.13950 -1.0 2.0
   57    51    60    62  -2.45650  1.0 3.0
   60    51    57    58   0.00000  1.0 1.0
   60    51    57    59   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.93250  1.0 1.0
   60    62    64    66   0.04450 -1.0 2.0
   60    62    64    66   0.17550  1.0 3.0
   60    62    64    69   0.37150  1.0 1.0
   60    62    64    69   1.25400 -1.0 2.0
   60    62    64    69  -0.40250  1.0 3.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    67  -0.03800  1.0 3.0
   62    64    66    68  -0.03800  1.0 3.0
   62    64    66    73   0.19200  1.0 1.0
   62    64    66    73  -0.38100 -1.0 2.0
   62    64    69    70   0.17350  1.0 3.0
   62    64    69    71   0.17350  1.0 3.0
   62    64    69    72   0.17350  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    66    73    74   0.15000  1.0 3.0
   64    66    73    75   0.15000  1.0 3.0
   64    66    73    76   1.30950  1.0 1.0
   64    66    73    76  -0.31000 -1.0 2.0
   64    66    73    76   0.12900  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    73   0.15000  1.0 3.0
   65    64    69    70   0.13050  1.0 3.0
   65    64    69    71   0.13050  1.0 3.0
   65    64    69    72   0.13050  1.0 3.0
   66    64    69    70   0.17350  1.0 3.0
   66    64    69    71   0.17350  1.0 3.0
   66    64    69    72   0.17350  1.0 3.0
   66    73    76    77   0.46250  1.0 1.0
   66    73    76    77  -0.28800 -1.0 2.0
   66    73    76    77   0.33850  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.22600  1.0 3.0
   68    66    73    74   0.15000  1.0 3.0
   68    66    73    75   0.15000  1.0 3.0
   68    66    73    76   0.22600  1.0 3.0
   73    76    77    78   0.32350  1.0 3.0
   73    76    77    79   0.32350  1.0 3.0
   73    76    77    80   0.32350  1.0 3.0
   74    73    76    77   0.32350  1.0 3.0
   75    73    76    77   0.32350  1.0 3.0
   69    64    66    67   0.23200  1.0 3.0
   69    64    66    68   0.23200  1.0 3.0
   69    64    66    73   0.74650  1.0 1.0
   69    64    66    73   0.09950 -1.0 2.0
   69    64    66    73  -0.04900  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33    38    43   1.39750  1.0 1.0
   40    33    38    43  -0.07950 -1.0 2.0
   40    33    38    43  -0.18750  1.0 3.0
   40    45    50    53   1.63150  1.0 1.0
   40    45    50    53   2.92000 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    50   0.00000  1.0 1.0
   42    40    45    46   0.00000  1.0 1.0
   42    40    45    50   0.00000  1.0 1.0
   45    50    53    54   0.08050  1.0 3.0
   45    50    53    55   0.08050  1.0 3.0
   45    50    53    56   0.08050  1.0 3.0
   46    45    50    53   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    38    43    47   1.00000 -1.0 2.0
   58    51    57    59  10.50000 -1.0 2.0
   61    62    60    51   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   40    50    45    46  10.50000 -1.0 2.0
END
