* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    166    248     489
    1     0 S   NP   _N1_     1    28.82769    93.44426   -25.33868
    2     1 S   H    _HN1     2     1.02967    79.12022    19.18183
    3     1 S   H    _H1_     3     1.02825    27.76708  -160.63538
    4     1 S   H    _H2_     4     1.02776   118.20589   -86.06453
    5     1 S   CT   _CA1     5     1.50257   121.98559   126.42284
    6     5 S   HC   _HA1     6     1.09577   105.02825    87.91771
    7     5 S   CO3  _C1_     7     1.53788   112.74714   -31.63941
    8     7 S   O2Z  _O11     8     1.26345   115.04163   -28.83635
    9     7 S   O2Z  _O12     9     1.26234   115.16199   150.17496
   10     5 S   CT   _CB1    10     1.53099   107.23467  -154.24180
   11    10 S   HC   HB11    11     1.09839   109.11880   -48.40060
   12    10 S   HC   HB12    12     1.09767   110.36963    68.01896
   13    10 S   CT   _CG1    13     1.53001   113.01706  -169.44865
   14    13 S   HC   HG11    14     1.09569   110.64121   -71.12062
   15    13 S   HC   HG12    15     1.09670   109.76669    48.21993
   16    13 S   C    _CD1    16     1.51848   112.15619   168.65144
   17    16 S   O    _OE1    17     1.22745   123.17255    12.49031
   18    16 S   N    _N2_    18     1.38610   111.73523  -167.89888
   19    18 S   H    _HN2    19     1.01585   119.03965    -0.07662
   20    18 S   CT1  _CA2    20     1.46320   123.52795   177.14830
   21    20 S   HC   _HA2    21     1.09748   109.32037    -2.25186
   22    20 S   C    _C2_    22     1.53491   108.50813  -117.56080
   23    22 S   O    _O2_    23     1.23044   122.38078  -148.99774
   24    20 S   CT   _CB2    32     1.53408   111.50305   119.86338
   25    24 S   HC   HB21    33     1.09486   109.53771    55.95701
   26    24 S   HC   HB22    34     1.09461   110.17999   174.99547
   27    22 S   N    _N3_    24     1.38378   113.56361    38.62566
   28    27 S   H    _HN3    25     1.01603   119.48182    -3.69528
   29    24 S   S    _SG2    35     1.83097   110.44346   -65.81960
   30    27 S   CT   _CA3    26     1.45264   123.21651   176.99945
   31    30 S   HC   HA31    27     1.09550   107.55546   -63.55650
   32    30 S   HC   HA32    28     1.09557   107.92949    52.86513
   33    29 S   CT   _C17    36     1.86573   102.48823   165.56422
   34    33 S   OM   _O37    37     1.31742   109.00950   -63.31883
   35    30 S   CO3  _C3_    29     1.52950   114.09570   174.85437
   36    35 S   O2Z  _O31    30     1.26375   116.08842     0.22294
   37    35 S   O2Z  _O32    31     1.26427   114.41141  -179.73681
   38    33 S   CT   _C16    38     1.54676   109.18154    56.34533
   39    38 S   HC   _H16    39     1.10060   109.83642    46.04873
   40    38 S   HC   _H17    40     1.09995   112.24033   -70.27761
   41    38 S   CT   _C15    41     1.53515   113.91477   166.48700
   42    41 S   HC   _H4_    42     1.09473   110.63380    68.71624
   43    41 S   CT   _C14    43     1.52413   111.33169   -54.47517
   44    43 S   HC   _H14    44     1.09715   110.14273  -176.62954
   45    43 S   HC   _H15    45     1.10025   109.15097   -64.07786
   46    41 S   OH   _O38    91     1.42721   109.01235  -173.79793
   47    46 S   HO   _H18    92     0.97234   107.27379   -60.57895
   48    43 S   CT   _C13    46     1.54089   113.13759    58.09778
   49    33 S   CT   _C12    47     1.56876   107.56355   175.59705
   50    49 S   HC   _H3_    48     1.10414   105.46294   -53.48281
   51    48 S   CT   _C18    70     1.54575   112.08118    72.84985
   52    51 S   HC   _H19    71     1.09544   111.27091   175.09260
   53    51 S   HC   _H20    72     1.09246   111.98202   -65.52788
   54    48 S   OH   _O42    89     1.44010   105.86930  -169.22336
   55    54 S   HO   _H27    90     0.97239   108.29682  -161.81603
   56    49 S   CO4  _C11    49     1.54740   114.21704    59.89141
   57    56 S   O    _O36    50     1.23135   122.84837    67.83825
   58    51 S   CO4  _C19    73     1.52536   113.75503    57.21039
   59    58 S   O    _O39    74     1.23165   120.68863    65.66348
   60    56 S   CT   _C10    51     1.51603   116.55229  -113.82555
   61    60 S   HC   _H12    52     1.09404   110.50074    37.46538
   62    60 S   HC   _H13    53     1.09494   108.07785   -80.34737
   63    58 S   CT   _C20    75     1.53096   116.17075  -117.41936
   64    63 S   HC   _H21    76     1.09845   106.80140   -69.61857
   65    63 S   HC   _H22    77     1.09853   108.68406    44.33992
   66    60 S   CO4  _C9_    54     1.51156   113.74366   158.39649
   67    66 S   O    _O35    55     1.23083   120.93360   110.80424
   68    63 S   CMA  _C21    78     1.52708   113.08378   168.41381
   69    68 S   OM   _O41    79     1.26230   111.41066   -90.48202
   70    66 S   CT   _C8_    56     1.51398   116.73142   -70.16927
   71    70 S   HC   _H10    57     1.09420   109.97083    52.32672
   72    70 S   HC   _H11    58     1.09539   108.25629   -65.42324
   73    68 S   CM   _C22    80     1.35164   116.18460    90.78203
   74    73 S   HC   _H23    81     1.08729   119.29967    -1.23146
   75    70 S   CO4  _C7_    59     1.51121   114.18787   173.69758
   76    75 S   O    _O34    60     1.23075   120.67194   106.28309
   77    73 S   CO4  _C23    82     1.49162   124.17226   179.32740
   78    77 S   O    _O40    83     1.22190   125.21209    -0.95532
   79    75 S   CT   _C6_    61     1.51437   116.58112   -76.04388
   80    79 S   HC   _H8_    62     1.09480   109.32481    34.59873
   81    79 S   HC   _H9_    63     1.09463   106.95767   -82.76471
   82    77 S   S    _S1_    84     1.76503   112.26857   179.17552
   83    79 S   CO4  _C5_    64     1.51242   115.79393   155.34857
   84    83 S   O    _O33    65     1.23035   122.76258   -24.01242
   85    82 S   CT   _C24    85     1.80581   100.27463  -179.30846
   86    85 S   HC   _H24    86     1.09324   109.27227   179.87180
   87    85 S   HC   _H25    87     1.09339   110.53464    60.54049
   88    85 S   HC   _H26    88     1.09339   110.53815   -60.80242
   89    83 S   CT   _C4_    66     1.50689   116.28611   159.72676
   90    89 S   HC   _H5_    67     1.09268   109.46520    64.56803
   91    89 S   HC   _H6_    68     1.09353   109.69913  -175.70842
   92    89 S   HC   _H7_    69     1.09256   109.85144   -56.46034
  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
  16   8   2   1   1  13   6   5  10   6  14   6   5   2   1  13
  13   5  11   5   4   3   1   7   4   7   4   8   4   3   7   4
   3   7   4   6   3   8   4   3   5   3   7   4   6   2   8   4
   3   4   5   4   3   2   1   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    48    49    50    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    48    49    50    56    57    60    51    54    46  
   38    39    40    41    48    49    50    56  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    49    50    56    46    47  
   40    41    42    43    49    46  
   41    42    43    49    46  
   42    43    44    45    48    49    51    54    46    47  
   43    44    45    48    46    47  
   44    45    48    49    50    56    51    52    53    58    54    55    46    47  
   45    48    49    51    54    46  
   48    49    51    54    46  
   47    48  
    0  
   49    50    56    57    60    51    52    53    58    59    63    54    55  
   50    56    57    60    61    62    66    51    52    53    58    54    55  
   56    57    60    51    54  
   52    53    58    59    63    64    65    68    54    55    56  
   53    58    59    63    54  
   58    59    63    54  
   55    56    58  
    0  
   57    60    61    62    66    67    70  
   60    61    62    66  
   59    63    64    65    68    69    73  
   63    64    65    68  
   61    62    66    67    70    71    72    75  
   62    66    67    70  
   66    67    70  
   64    65    68    69    73    74    77  
   65    68    69    73  
   68    69    73  
   67    70    71    72    75    76    79  
   70    71    72    75  
   69    73    74    77    78    82  
   73    74    77  
   71    72    75    76    79    80    81    83  
   72    75    76    79  
   75    76    79  
   74    77    78    82    85  
   77    78    82  
   76    79    80    81    83    84    89  
   79    80    81    83  
   78    82    85    86    87    88  
   82    85  
   80    81    83    84    89    90    91    92  
   81    83    84    89  
   83    84    89  
   85    86    87    88  
   84    89    90    91    92  
   89    90    91    92  
   86    87    88  
   87    88  
   88  
    0  
   90    91    92  
   91    92  
   92  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   69   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.4200   0.0150   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   570.000  1.307
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   268.000  1.529
   48    51   268.000  1.529
   48    54   320.000  1.410
   49    50   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   570.000  1.229
   66    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   317.000  1.522
   75    76   570.000  1.229
   75    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    83   317.000  1.522
   83    84   570.000  1.229
   83    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   317.000  1.522
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   270.000  1.512
   68    69   745.000  1.250
   68    73   465.000  1.376
   73    74   340.000  1.080
   73    77   320.000  1.462
   77    78   570.000  1.229
   77    82   210.000  1.799
   82    85   222.000  1.810
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   54    55   553.000  0.945
   46    47   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    49    48    58.35000  112.70000
   33    49    50    37.50000  110.70000
   33    49    56    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    37.50000  110.70000
   38    41    43    58.35000  112.70000
   38    41    46    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    37.50000  110.70000
   41    38    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    48    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    48    49    58.35000  112.70000
   43    48    51    58.35000  112.70000
   43    48    54    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    49    50    37.50000  110.70000
   48    49    56    63.00000  111.10000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    58    63.00000  111.10000
   48    54    55    55.00000  108.50000
   49    33    34    50.00000  109.50000
   49    33    38    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    60    70.00000  116.00000
   56    49    50    35.00000  109.50000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    75.00000  107.99600
   60    56    57    80.00000  120.40000
   60    66    67    80.00000  120.40000
   60    66    70    70.00000  116.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    70    71    35.00000  109.50000
   66    70    72    35.00000  109.50000
   66    70    75    75.00000  107.99600
   70    66    67    80.00000  120.40000
   70    75    76    80.00000  120.40000
   70    75    79    70.00000  116.00000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    83    75.00000  107.99600
   79    75    76    80.00000  120.40000
   79    83    84    80.00000  120.40000
   79    83    89    70.00000  116.00000
   81    79    80    33.00000  107.80000
   83    79    80    35.00000  109.50000
   83    79    81    35.00000  109.50000
   83    89    90    35.00000  109.50000
   83    89    91    35.00000  109.50000
   83    89    92    35.00000  109.50000
   89    83    84    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   51    48    49    58.35000  112.70000
   51    58    59    80.00000  120.40000
   51    58    63    70.00000  116.00000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    68    70.00000  109.06800
   63    58    59    80.00000  120.40000
   63    68    69    85.00000  112.85300
   63    68    73    65.00000  122.18000
   65    63    64    33.00000  107.80000
   68    63    64    45.00000  110.52000
   68    63    65    45.00000  110.52000
   68    73    74    40.00000  120.50800
   68    73    77    60.00000  125.92000
   73    68    69    65.00000  137.10300
   73    77    78    80.00000  123.72100
   73    77    82    65.00000  119.00000
   77    73    74    40.00000  117.72500
   77    82    85    90.00000   96.72000
   82    77    78    80.00000  121.30200
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   54    48    49    50.00000  109.50000
   54    48    51    50.00000  109.50000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   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   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    49    48   0.44750  1.0 1.0
   29    33    49    48  -0.17800 -1.0 2.0
   29    33    49    48   0.20200  1.0 3.0
   29    33    49    50   0.15000  1.0 3.0
   29    33    49    56   0.56750  1.0 1.0
   29    33    49    56  -0.07550 -1.0 2.0
   29    33    49    56   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43   0.56750  1.0 1.0
   33    38    41    43  -0.07550 -1.0 2.0
   33    38    41    43   0.20000  1.0 3.0
   33    38    41    46   0.86500  1.0 1.0
   33    38    41    46  -0.17500 -1.0 2.0
   33    38    41    46   0.20800  1.0 3.0
   33    49    56    57   0.30150 -1.0 2.0
   33    49    56    60   0.60050  1.0 1.0
   33    49    56    60   0.05600 -1.0 2.0
   33    49    56    60   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.62750  1.0 1.0
   34    33    38    41  -0.30950 -1.0 2.0
   34    33    38    41   0.27300  1.0 3.0
   34    33    49    48   0.62750  1.0 1.0
   34    33    49    48  -0.30950 -1.0 2.0
   34    33    49    48   0.27300  1.0 3.0
   34    33    49    50   0.23400  1.0 3.0
   34    33    49    56  -0.09450  1.0 1.0
   34    33    49    56  -1.12950 -1.0 2.0
   34    33    49    56   0.54000  1.0 3.0
   38    33    49    48   0.56750  1.0 1.0
   38    33    49    48  -0.07550 -1.0 2.0
   38    33    49    48   0.20000  1.0 3.0
   38    33    49    50   0.15000  1.0 3.0
   38    33    49    56  -0.95700  1.0 1.0
   38    33    49    56  -0.18200 -1.0 2.0
   38    33    49    56   0.29450  1.0 3.0
   38    41    43    44   0.15000  1.0 3.0
   38    41    43    45   0.15000  1.0 3.0
   38    41   -43    48   0.56750  1.0 1.0
   38    41   -43    48  -0.07550 -1.0 2.0
   38    41   -43    48   0.20000  1.0 3.0
   38    41    46    47  -0.11600  1.0 1.0
   38    41    46    47  -0.09450 -1.0 2.0
   38    41    46    47   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    46   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   41    43    48    49   0.56750  1.0 1.0
   41    43    48    49  -0.07550 -1.0 2.0
   41    43    48    49   0.20000  1.0 3.0
   41    43    48    51   0.56750  1.0 1.0
   41    43    48    51  -0.07550 -1.0 2.0
   41    43    48    51   0.20000  1.0 3.0
   41    43    48    54   0.86500  1.0 1.0
   41    43    48    54  -0.17500 -1.0 2.0
   41    43    48    54   0.20800  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    45   0.15000  1.0 3.0
   42    41    43    48   0.15000  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47  -0.11600  1.0 1.0
   43    41    46    47  -0.09450 -1.0 2.0
   43    41    46    47   0.21250  1.0 3.0
   43    48   -49    33   0.56750  1.0 1.0
   43    48   -49    33  -0.07550 -1.0 2.0
   43    48   -49    33   0.20000  1.0 3.0
   43    48    49    50   0.15000  1.0 3.0
   43    48    49    56  -0.95700  1.0 1.0
   43    48    49    56  -0.18200 -1.0 2.0
   43    48    49    56   0.29450  1.0 3.0
   43    48    51    52   0.15000  1.0 3.0
   43    48    51    53   0.15000  1.0 3.0
   43    48    51    58  -0.95700  1.0 1.0
   43    48    51    58  -0.18200 -1.0 2.0
   43    48    51    58   0.29450  1.0 3.0
   43    48    54    55  -0.11600  1.0 1.0
   43    48    54    55  -0.09450 -1.0 2.0
   43    48    54    55   0.21250  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    51   0.15000  1.0 3.0
   44    43    48    54   0.23400  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    51   0.15000  1.0 3.0
   45    43    48    54   0.23400  1.0 3.0
   48    49    56    57   0.30150 -1.0 2.0
   48    49    56    60   0.60050  1.0 1.0
   48    49    56    60   0.05600 -1.0 2.0
   48    49    56    60   0.26150  1.0 3.0
   48    51    58    59   0.30150 -1.0 2.0
   48    51    58    63   0.60050  1.0 1.0
   48    51    58    63   0.05600 -1.0 2.0
   48    51    58    63   0.26150  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41   0.56750  1.0 1.0
   49    33   -38    41  -0.07550 -1.0 2.0
   49    33   -38    41   0.20000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    58  -0.95700  1.0 1.0
   49    48    51    58  -0.18200 -1.0 2.0
   49    48    51    58   0.29450  1.0 3.0
   49    48    54    55  -0.11600  1.0 1.0
   49    48    54    55  -0.09450 -1.0 2.0
   49    48    54    55   0.21250  1.0 3.0
   49    56    60    61   0.00000  1.0 1.0
   49    56    60    62   0.00000  1.0 1.0
   49    56    60    66   0.65300  1.0 1.0
   49    56    60    66  -0.03850 -1.0 2.0
   49    56    60    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    60   0.00000  1.0 1.0
   56    60    66    67   0.30150 -1.0 2.0
   56    60    66    70   0.65300  1.0 1.0
   56    60    66    70  -0.03850 -1.0 2.0
   56    60    66    70   0.33900  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.30150 -1.0 2.0
   60    66    70    71   0.00000  1.0 1.0
   60    66    70    72   0.00000  1.0 1.0
   60    66    70    75   0.65300  1.0 1.0
   60    66    70    75  -0.03850 -1.0 2.0
   60    66    70    75   0.33900  1.0 3.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    70   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    70   0.00000  1.0 1.0
   66    70    75    76   0.30150 -1.0 2.0
   66    70    75    79   0.65300  1.0 1.0
   66    70    75    79  -0.03850 -1.0 2.0
   66    70    75    79   0.33900  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    72   0.00000  1.0 1.0
   67    66    70    75   0.30150 -1.0 2.0
   70    75    79    80   0.00000  1.0 1.0
   70    75    79    81   0.00000  1.0 1.0
   70    75    79    83   0.65300  1.0 1.0
   70    75    79    83  -0.03850 -1.0 2.0
   70    75    79    83   0.33900  1.0 3.0
   71    70    75    76   0.00000  1.0 1.0
   71    70    75    79   0.00000  1.0 1.0
   72    70    75    76   0.00000  1.0 1.0
   72    70    75    79   0.00000  1.0 1.0
   75    79    83    84   0.30150 -1.0 2.0
   75    79    83    89   0.65300  1.0 1.0
   75    79    83    89  -0.03850 -1.0 2.0
   75    79    83    89   0.33900  1.0 3.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    83   0.30150 -1.0 2.0
   79    83    89    90   0.00000  1.0 1.0
   79    83    89    91   0.00000  1.0 1.0
   79    83    89    92   0.00000  1.0 1.0
   80    79    83    84   0.00000  1.0 1.0
   80    79    83    89   0.00000  1.0 1.0
   81    79    83    84   0.00000  1.0 1.0
   81    79    83    89   0.00000  1.0 1.0
   84    83    89    90   0.00000  1.0 1.0
   84    83    89    91   0.00000  1.0 1.0
   84    83    89    92   0.00000  1.0 1.0
   51    48    49    33   0.56750  1.0 1.0
   51    48    49    33  -0.07550 -1.0 2.0
   51    48    49    33   0.20000  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    56  -0.95700  1.0 1.0
   51    48    49    56  -0.18200 -1.0 2.0
   51    48    49    56   0.29450  1.0 3.0
   51    48    54    55  -0.11600  1.0 1.0
   51    48    54    55  -0.09450 -1.0 2.0
   51    48    54    55   0.21250  1.0 3.0
   51    58    63    64   0.00000  1.0 1.0
   51    58    63    65   0.00000  1.0 1.0
   51    58    63    68   0.65300  1.0 1.0
   51    58    63    68  -0.03850 -1.0 2.0
   51    58    63    68   0.33900  1.0 3.0
   52    51    58    59   0.00000  1.0 1.0
   52    51    58    63   0.00000  1.0 1.0
   53    51    58    59   0.00000  1.0 1.0
   53    51    58    63   0.00000  1.0 1.0
   58    63    68    69   0.09700  1.0 1.0
   58    63    68    69   0.15600 -1.0 2.0
   58    63    68    69  -0.50800  1.0 3.0
   58    63    68    73  -0.51250  1.0 1.0
   58    63    68    73  -0.88800 -1.0 2.0
   58    63    68    73   0.08850  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    68   0.30150 -1.0 2.0
   63    68    73    74   7.00000 -1.0 2.0
   63    68    73    77   7.00000 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    73   0.00000  1.0 1.0
   65    63    68    69   0.00000  1.0 1.0
   65    63    68    73   0.00000  1.0 1.0
   68    73    77    78   1.00000 -1.0 2.0
   68    73    77    82   0.50400  1.0 1.0
   68    73    77    82   1.60000 -1.0 2.0
   68    73    77    82  -0.01800  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    77   7.00000 -1.0 2.0
   73    77    82    85  -0.11550  1.0 1.0
   73    77    82    85   1.88700 -1.0 2.0
   74    73    77    78   0.00000  1.0 1.0
   74    73    77    82   0.92800 -1.0 2.0
   77    82    85    86   0.24000  1.0 3.0
   77    82    85    87   0.24000  1.0 3.0
   77    82    85    88   0.24000  1.0 3.0
   78    77    82    85  -0.11550  1.0 1.0
   78    77    82    85   1.88700 -1.0 2.0
   54    48    49    33   0.86500  1.0 1.0
   54    48    49    33  -0.17500 -1.0 2.0
   54    48    49    33   0.20800  1.0 3.0
   54    48    49    50   0.23400  1.0 3.0
   54    48    49    56  -0.09450  1.0 1.0
   54    48    49    56  -1.12950 -1.0 2.0
   54    48    49    56   0.54000  1.0 3.0
   54    48    51    52   0.23400  1.0 3.0
   54    48    51    53   0.23400  1.0 3.0
   54    48    51    58  -0.09450  1.0 1.0
   54    48    51    58  -1.12950 -1.0 2.0
   54    48    51    58   0.54000  1.0 3.0
   46    41    43    44   0.23400  1.0 3.0
   46    41    43    45   0.23400  1.0 3.0
   46    41    43    48   0.86500  1.0 1.0
   46    41    43    48  -0.17500 -1.0 2.0
   46    41    43    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   49    60    56    57  10.50000 -1.0 2.0
   60    70    66    67  10.50000 -1.0 2.0
   70    79    75    76  10.50000 -1.0 2.0
   79    89    83    84  10.50000 -1.0 2.0
   51    63    58    59  10.50000 -1.0 2.0
   63    69    68    73  15.00000 -1.0 2.0
   77    74    73    68  15.00000 -1.0 2.0
   73    82    77    78  10.50000 -1.0 2.0
END
