* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    166    245     486
    1     0 S   NP   _N1_     1    29.04612    95.91113   -24.81574
    2     1 S   H    _HN1     2     1.02777   116.14337  -106.08776
    3     1 S   H    _H1_     3     1.02959    77.77176    -1.49659
    4     1 S   H    _H2_     4     1.02838    29.37811   173.98999
    5     1 S   CT   _CA1     5     1.50125   124.89088   104.99311
    6     5 S   HC   _HA1     6     1.09577   105.22248    88.55016
    7     5 S   CO3  _C1_     7     1.53788   112.29672   -31.61966
    8     7 S   O2Z  _O11     8     1.26356   115.00221   -45.58726
    9     7 S   O2Z  _O12     9     1.26229   114.92940   133.43064
   10     5 S   CT   _CB1    10     1.53096   107.41773  -153.58709
   11    10 S   HC   HB11    11     1.09826   109.37354   -50.79737
   12    10 S   HC   HB12    12     1.09814   110.42401    65.77510
   13    10 S   CT   _CG1    13     1.52989   112.62268  -171.85633
   14    13 S   HC   HG11    14     1.09552   110.38909   -64.43592
   15    13 S   HC   HG12    15     1.09651   109.95926    54.76892
   16    13 S   C    _CD1    16     1.51804   112.32363   175.38871
   17    16 S   O    _OE1    17     1.22760   123.31813     2.93278
   18    16 S   N    _N2_    18     1.38527   111.72740  -177.28192
   19    18 S   H    _HN2    19     1.01629   119.16082     3.23773
   20    18 S   CT1  _CA2    20     1.45967   122.95000   179.61743
   21    20 S   HC   _HA2    21     1.09632   109.60465    26.01239
   22    20 S   C    _C2_    22     1.52796   104.27836   -91.96250
   23    22 S   O    _O2_    23     1.23010   122.21364   -74.84921
   24    20 S   CT   _CB2    32     1.53290   111.81252   149.04194
   25    24 S   HC   HB21    33     1.09318   110.14051    57.21134
   26    24 S   HC   HB22    34     1.09440   109.36531   175.84235
   27    22 S   N    _N3_    24     1.38475   113.00373   100.30396
   28    27 S   H    _HN3    25     1.01560   119.60199     4.26048
   29    24 S   S    _SG2    35     1.82928   110.78115   -64.47146
   30    27 S   CT   _CA3    26     1.45548   123.52032  -176.85776
   31    30 S   HC   HA31    27     1.09497   109.64460    12.74342
   32    30 S   HC   HA32    28     1.09511   106.91287   129.65239
   33    29 S   CT   _C21    36     1.85466   101.97295   165.19122
   34    33 S   OM   _O39    37     1.32036   108.69565   172.72115
   35    30 S   CO3  _C3_    29     1.52835   113.31813  -111.14117
   36    35 S   O2Z  _O31    30     1.26336   115.55747   -41.80305
   37    35 S   O2Z  _O32    31     1.26399   114.90669   138.78997
   38    33 S   CT   _C20    38     1.55362   112.07593    52.91772
   39    38 S   HC   _H19    39     1.09854   108.64316   -69.36208
   40    38 S   HC   _H20    40     1.10054   110.67856   174.97687
   41    33 S   CT   _C22    83     1.55868   111.26303   -68.51426
   42    41 S   HC   _H21    84     1.09766   109.88873    72.69115
   43    41 S   HC   _H22    85     1.10165   110.62049  -173.05983
   44    38 S   CO4  _C19    41     1.53572   118.62081    52.30875
   45    44 S   O    _O37    42     1.22913   123.37372    22.61729
   46    41 S   CO4  _C23    86     1.52776   116.59147   -52.19988
   47    46 S   O    _O38    87     1.22549   123.69593   -68.08736
   48    44 S   CT   _C18    43     1.52521   115.13536  -156.75356
   49    48 S   HC   _H17    44     1.09672   108.05010   -22.34424
   50    48 S   HC   _H18    45     1.09541   104.69045    91.94363
   51    46 S   S    _S1_    88     1.77009   114.35357   113.86380
   52    48 S   CT   _C17    46     1.54520   115.75995  -145.89483
   53    51 S   CT   _C24    89     1.80566   100.26192  -172.05918
   54    53 S   HC   _H23    90     1.09294   109.11629   178.85585
   55    53 S   HC   _H24    91     1.09333   110.52073    59.50776
   56    53 S   HC   _H25    92     1.09326   110.59996   -61.89372
   57    52 S   CM   _C12    47     1.52416   108.93670   176.47119
   58    52 S   OH   _O40    81     1.43222   109.35147   -64.10237
   59    58 S   HO   _H26    82     0.97270   108.56555   -52.62064
   60    57 S   CMA  _C13    48     1.35624   126.32976  -107.40394
   61    60 S   OM   _O42    49     1.26420   131.07307  -179.94405
   62    57 S   CO4  _C11    60     1.49885   116.95412    72.09567
   63    62 S   O    _O36    61     1.22966   120.30732    78.14597
   64    60 S   CT   _C14    50     1.52891   118.72708     0.09065
   65    64 S   HC   _H13    51     1.10089   111.02957   135.16340
   66    64 S   HC   _H14    52     1.10111   108.92307  -109.18291
   67    62 S   CT   _C10    62     1.51303   117.22256   -99.71784
   68    67 S   HC   _H11    63     1.09509   107.66844  -118.32219
   69    67 S   HC   _H12    64     1.09504   109.70730    -0.80113
   70    64 S   CT   _C15    53     1.53245   115.25886    13.30472
   71    70 S   HC   _H3_    54     1.09578   110.41338    79.10344
   72    67 S   CO4  _C9_    65     1.51407   114.33435   120.65753
   73    72 S   O    _O35    66     1.23077   122.60698     0.29871
   74    52 S   CT   _C16    55     1.53824   112.66389    53.83878
   75    74 S   HC   _H15    56     1.09647   111.83183   -48.80179
   76    74 S   HC   _H16    57     1.10048   109.98075  -163.15608
   77    70 S   OH   _O41    58     1.42565   109.60694  -162.82256
   78    77 S   HO   _H27    59     0.97239   107.34875   -57.54036
   79    72 S   CT   _C8_    67     1.51112   116.53844  -177.36010
   80    79 S   HC   _H9_    68     1.09404   108.06329  -155.58207
   81    79 S   HC   _H10    69     1.09471   108.65062   -38.74919
   82    79 S   CO4  _C7_    70     1.51321   114.01211    83.35251
   83    82 S   O    _O34    71     1.23025   121.75504     1.80190
   84    82 S   CT   _C6_    72     1.51346   115.95090   179.64392
   85    84 S   HC   _H7_    73     1.09328   107.08072   -78.23710
   86    84 S   HC   _H8_    74     1.09489   109.09127    39.45087
   87    84 S   CO4  _C5_    75     1.51233   115.80550   160.24931
   88    87 S   O    _O33    76     1.23037   122.64659   -28.66256
   89    87 S   CT   _C4_    77     1.50669   116.37206   154.82107
   90    89 S   HC   _H4_    78     1.09269   109.49663    62.54324
   91    89 S   HC   _H5_    79     1.09262   109.77004   -58.52374
   92    89 S   HC   _H6_    80     1.09354   109.70849  -177.79469
  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
  13   8   2   1   1  12   5   4   7   4   3   8   4   6   2  12
   5   4   4  15   3   2   1   1  17   7   1  11   5   9   4   9
   5   4   8   4   3   6   5   7   4   4   2   1   1   1   8   4
   3   7   4   8   4   3   5   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    41    42    43    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    48    41    42    43    46    47    51  
   38    39    40    44    41    42    43    46  
   36    37  
   37  
    0  
   39    40    44    45    48    49    50    52    41    42    43    46  
   40    44    45    48    41  
   44    45    48    41  
   42    43    46    47    51    53    44  
   43    46    47    51  
   46    47    51  
   45    48    49    50    52    57    74    58  
   48    49    50    52  
   47    51    53    54    55    56  
   51    53  
   49    50    52    57    60    70    74    75    76    62    58    59  
   50    52    57    74    58  
   52    57    74    58  
   53    54    55    56  
   57    60    61    64    70    71    74    75    76    77    62    63    67    58    59  
   54    55    56  
   55    56  
   56  
    0  
   60    61    64    65    66    70    74    75    76    62    63    67    68    69    72    58    59  
   59    60    62    70    74    75    76  
   74  
   61    64    65    66    70    71    74    77    62    63    67  
   64    65    66    70    62  
   63    67    68    69    72    73    79    64    74  
   67    68    69    72  
   65    66    70    71    74    75    76    77    78  
   66    70    71    74    77  
   70    71    74    77  
   68    69    72    73    79    80    81    82  
   69    72    73    79  
   72    73    79  
   71    74    75    76    77    78  
   74    75    76    77    78  
   73    79    80    81    82    83    84  
   79    80    81    82  
   75    76    77    78  
   76    77  
   77  
   78  
    0  
   80    81    82    83    84    85    86    87  
   81    82    83    84  
   82    83    84  
   83    84    85    86    87    88    89  
   84    85    86    87  
   85    86    87    88    89    90    91    92  
   86    87    88    89  
   87    88    89  
   88    89    90    91    92  
   89    90    91    92  
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   61   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   62   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    57   317.000  1.510
   52    74   268.000  1.529
   52    58   320.000  1.410
   57    60   465.000  1.376
   57    62   320.000  1.462
   60    61   745.000  1.250
   60    64   270.000  1.512
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    70   268.000  1.529
   70    71   340.000  1.090
   70    74   268.000  1.529
   70    77   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   77    78   553.000  0.945
   62    63   570.000  1.229
   62    67   317.000  1.522
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   317.000  1.522
   72    73   570.000  1.229
   72    79   317.000  1.522
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   317.000  1.522
   82    83   570.000  1.229
   82    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   570.000  1.229
   87    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   58    59   553.000  0.945
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   317.000  1.522
   46    47   570.000  1.229
   46    51   210.000  1.799
   51    53   222.000  1.810
   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    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    48    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    52    57    70.00000  112.02700
   48    52    74    58.35000  112.70000
   48    52    58    50.00000  109.50000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    57    60    70.00000  124.00000
   52    57    62    65.00000  116.34900
   52    74    70    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    76    37.50000  110.70000
   52    58    59    55.00000  108.50000
   57    60    61    65.00000  137.10300
   57    60    64    65.00000  122.18000
   57    62    63    80.00000  123.72100
   57    62    67    65.00000  118.62400
   60    64    65    45.00000  110.52000
   60    64    66    45.00000  110.52000
   60    64    70    70.00000  112.02700
   64    60    61    85.00000  112.85300
   64    70    71    37.50000  110.70000
   64    70    74    58.35000  112.70000
   64    70    77    50.00000  109.50000
   66    64    65    33.00000  107.80000
   70    64    65    37.50000  110.70000
   70    64    66    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    77    78    55.00000  108.50000
   74    52    57    70.00000  112.02700
   74    70    71    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    70    71    35.00000  109.50000
   77    70    74    50.00000  109.50000
   62    57    60    60.00000  125.92000
   62    67    68    35.00000  109.50000
   62    67    69    35.00000  109.50000
   62    67    72    75.00000  107.99600
   67    62    63    80.00000  120.40000
   67    72    73    80.00000  120.40000
   67    72    79    70.00000  116.00000
   69    67    68    33.00000  107.80000
   72    67    68    35.00000  109.50000
   72    67    69    35.00000  109.50000
   72    79    80    35.00000  109.50000
   72    79    81    35.00000  109.50000
   72    79    82    75.00000  107.99600
   79    72    73    80.00000  120.40000
   79    82    83    80.00000  120.40000
   79    82    84    70.00000  116.00000
   81    79    80    33.00000  107.80000
   82    79    80    35.00000  109.50000
   82    79    81    35.00000  109.50000
   82    84    85    35.00000  109.50000
   82    84    86    35.00000  109.50000
   82    84    87    75.00000  107.99600
   84    82    83    80.00000  120.40000
   84    87    88    80.00000  120.40000
   84    87    89    70.00000  116.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   87    89    90    35.00000  109.50000
   87    89    91    35.00000  109.50000
   87    89    92    35.00000  109.50000
   89    87    88    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
   58    52    57    90.00000  110.39200
   58    52    74    50.00000  109.50000
   41    33    34    50.00000  109.50000
   41    33    38    58.35000  112.70000
   41    46    47    80.00000  120.40000
   41    46    51    70.00000  114.16300
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   46    51    53    90.00000   96.72000
   51    46    47    80.00000  121.30200
   51    53    54    35.00000  109.50000
   51    53    55    35.00000  109.50000
   51    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   0.13850  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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    48   0.60050  1.0 1.0
   33    38    44    48   0.05600 -1.0 2.0
   33    38    44    48   0.26150  1.0 3.0
   33    41    46    47   0.30150 -1.0 2.0
   33    41    46    51   0.00000  1.0 1.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    44  -0.09450  1.0 1.0
   34    33    38    44  -1.12950 -1.0 2.0
   34    33    38    44   0.54000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.23400  1.0 3.0
   34    33    41    46  -0.09450  1.0 1.0
   34    33    41    46  -1.12950 -1.0 2.0
   34    33    41    46   0.54000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    33    41    46  -0.95700  1.0 1.0
   38    33    41    46  -0.18200 -1.0 2.0
   38    33    41    46   0.29450  1.0 3.0
   38    44    48    49   0.00000  1.0 1.0
   38    44    48    50   0.00000  1.0 1.0
   38    44    48    52   0.60050  1.0 1.0
   38    44    48    52   0.05600 -1.0 2.0
   38    44    48    52   0.26150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    48   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    48   0.00000  1.0 1.0
   44    48    52    57  -0.98800  1.0 1.0
   44    48    52    57   0.48800 -1.0 2.0
   44    48    52    57   0.76800  1.0 3.0
   44    48    52    74  -0.95700  1.0 1.0
   44    48    52    74  -0.18200 -1.0 2.0
   44    48    52    74   0.29450  1.0 3.0
   44    48    52    58  -0.09450  1.0 1.0
   44    48    52    58  -1.12950 -1.0 2.0
   44    48    52    58   0.54000  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    60   0.09850  1.0 1.0
   48    52    57    60   0.15250 -1.0 2.0
   48    52    57    60  -0.50650  1.0 3.0
   48    52    57    62   0.09700  1.0 1.0
   48    52    57    62   0.15600 -1.0 2.0
   48    52    57    62  -0.50800  1.0 3.0
   48    52    74    70   0.56750  1.0 1.0
   48    52    74    70  -0.07550 -1.0 2.0
   48    52    74    70   0.20000  1.0 3.0
   48    52    74    75   0.15000  1.0 3.0
   48    52    74    76   0.15000  1.0 3.0
   48    52    58    59  -0.11600  1.0 1.0
   48    52    58    59  -0.09450 -1.0 2.0
   48    52    58    59   0.21250  1.0 3.0
   49    48    52    57   0.15000  1.0 3.0
   49    48    52    74   0.15000  1.0 3.0
   49    48    52    58   0.23400  1.0 3.0
   50    48    52    57   0.15000  1.0 3.0
   50    48    52    74   0.15000  1.0 3.0
   50    48    52    58   0.23400  1.0 3.0
   52    57    60    61   7.00000 -1.0 2.0
   52    57    60    64   7.00000 -1.0 2.0
   52    57    62    63  -0.64400  1.0 1.0
   52    57    62    63   0.26850 -1.0 2.0
   52    57    62    67   0.25700  1.0 1.0
   52    57    62    67   0.66200 -1.0 2.0
   52    57    62    67   0.04450  1.0 3.0
   57    52    74    70   0.34400  1.0 1.0
   57    52    74    70   0.09450 -1.0 2.0
   57    52    74    70   0.11100  1.0 3.0
   57    52    74    75   0.15000  1.0 3.0
   57    52    74    76   0.15000  1.0 3.0
   57    52    58    59  -0.07800  1.0 1.0
   57    52    58    59  -0.21500 -1.0 2.0
   57    52    58    59  -0.03150  1.0 3.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60   -64    70   0.09850  1.0 1.0
   57    60   -64    70   0.15250 -1.0 2.0
   57    60   -64    70  -0.50650  1.0 3.0
   57    62    67    68   0.00000  1.0 1.0
   57    62    67    69   0.00000  1.0 1.0
   57    62    67    72   0.65300  1.0 1.0
   57    62    67    72  -0.03850 -1.0 2.0
   57    62    67    72   0.33900  1.0 3.0
   60    57    62    63   1.00000 -1.0 2.0
   60    57    62    67  -0.33500  1.0 1.0
   60    57    62    67   1.06600 -1.0 2.0
   60    57    62    67  -0.14000  1.0 3.0
   60    64    70    71   0.15000  1.0 3.0
   60    64    70    74   0.34400  1.0 1.0
   60    64    70    74   0.09450 -1.0 2.0
   60    64    70    74   0.11100  1.0 3.0
   60    64    70    77   1.05650  1.0 1.0
   60    64    70    77   0.15600 -1.0 2.0
   60    64    70    77   0.53150  1.0 3.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    70   0.09700  1.0 1.0
   61    60    64    70   0.15600 -1.0 2.0
   61    60    64    70  -0.50800  1.0 3.0
   64    70   -74    52   0.56750  1.0 1.0
   64    70   -74    52  -0.07550 -1.0 2.0
   64    70   -74    52   0.20000  1.0 3.0
   64    70    74    75   0.15000  1.0 3.0
   64    70    74    76   0.15000  1.0 3.0
   64    70    77    78  -0.11600  1.0 1.0
   64    70    77    78  -0.09450 -1.0 2.0
   64    70    77    78   0.21250  1.0 3.0
   65    64    70    71   0.15000  1.0 3.0
   65    64    70    74   0.15000  1.0 3.0
   65    64    70    77   0.23400  1.0 3.0
   66    64    70    71   0.15000  1.0 3.0
   66    64    70    74   0.15000  1.0 3.0
   66    64    70    77   0.23400  1.0 3.0
   71    70    74    52   0.15000  1.0 3.0
   71    70    74    75   0.15000  1.0 3.0
   71    70    74    76   0.15000  1.0 3.0
   71    70    77    78   0.19450  1.0 3.0
   74    52   -57    60   0.09850  1.0 1.0
   74    52   -57    60   0.15250 -1.0 2.0
   74    52   -57    60  -0.50650  1.0 3.0
   74    52    57    62   0.09700  1.0 1.0
   74    52    57    62   0.15600 -1.0 2.0
   74    52    57    62  -0.50800  1.0 3.0
   74    52    58    59  -0.11600  1.0 1.0
   74    52    58    59  -0.09450 -1.0 2.0
   74    52    58    59   0.21250  1.0 3.0
   74    70    77    78  -0.11600  1.0 1.0
   74    70    77    78  -0.09450 -1.0 2.0
   74    70    77    78   0.21250  1.0 3.0
   77    70    74    52   0.86500  1.0 1.0
   77    70    74    52  -0.17500 -1.0 2.0
   77    70    74    52   0.20800  1.0 3.0
   77    70    74    75   0.23400  1.0 3.0
   77    70    74    76   0.23400  1.0 3.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    64   7.00000 -1.0 2.0
   62    67    72    73   0.30150 -1.0 2.0
   62    67    72    79   0.65300  1.0 1.0
   62    67    72    79  -0.03850 -1.0 2.0
   62    67    72    79   0.33900  1.0 3.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    69   0.00000  1.0 1.0
   63    62    67    72   0.30150 -1.0 2.0
   67    72    79    80   0.00000  1.0 1.0
   67    72    79    81   0.00000  1.0 1.0
   67    72    79    82   0.65300  1.0 1.0
   67    72    79    82  -0.03850 -1.0 2.0
   67    72    79    82   0.33900  1.0 3.0
   68    67    72    73   0.00000  1.0 1.0
   68    67    72    79   0.00000  1.0 1.0
   69    67    72    73   0.00000  1.0 1.0
   69    67    72    79   0.00000  1.0 1.0
   72    79    82    83   0.30150 -1.0 2.0
   72    79    82    84   0.65300  1.0 1.0
   72    79    82    84  -0.03850 -1.0 2.0
   72    79    82    84   0.33900  1.0 3.0
   73    72    79    80   0.00000  1.0 1.0
   73    72    79    81   0.00000  1.0 1.0
   73    72    79    82   0.30150 -1.0 2.0
   79    82    84    85   0.00000  1.0 1.0
   79    82    84    86   0.00000  1.0 1.0
   79    82    84    87   0.65300  1.0 1.0
   79    82    84    87  -0.03850 -1.0 2.0
   79    82    84    87   0.33900  1.0 3.0
   80    79    82    83   0.00000  1.0 1.0
   80    79    82    84   0.00000  1.0 1.0
   81    79    82    83   0.00000  1.0 1.0
   81    79    82    84   0.00000  1.0 1.0
   82    84    87    88   0.30150 -1.0 2.0
   82    84    87    89   0.65300  1.0 1.0
   82    84    87    89  -0.03850 -1.0 2.0
   82    84    87    89   0.33900  1.0 3.0
   83    82    84    85   0.00000  1.0 1.0
   83    82    84    86   0.00000  1.0 1.0
   83    82    84    87   0.30150 -1.0 2.0
   84    87    89    90   0.00000  1.0 1.0
   84    87    89    91   0.00000  1.0 1.0
   84    87    89    92   0.00000  1.0 1.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
   88    87    89    90   0.00000  1.0 1.0
   88    87    89    91   0.00000  1.0 1.0
   88    87    89    92   0.00000  1.0 1.0
   58    52    57    60   0.67800  1.0 1.0
   58    52    57    60   0.47050 -1.0 2.0
   58    52    57    60  -0.62500  1.0 3.0
   58    52    57    62   0.09700  1.0 1.0
   58    52    57    62   0.15600 -1.0 2.0
   58    52    57    62  -0.50800  1.0 3.0
   58    52    74    70   0.86500  1.0 1.0
   58    52    74    70  -0.17500 -1.0 2.0
   58    52    74    70   0.20800  1.0 3.0
   58    52    74    75   0.23400  1.0 3.0
   58    52    74    76   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44  -0.95700  1.0 1.0
   41    33    38    44  -0.18200 -1.0 2.0
   41    33    38    44   0.29450  1.0 3.0
   41    46    51    53  -0.11550  1.0 1.0
   41    46    51    53   1.88700 -1.0 2.0
   42    41    46    47   0.00000  1.0 1.0
   42    41    46    51   0.00000  1.0 1.0
   43    41    46    47   0.00000  1.0 1.0
   43    41    46    51   0.00000  1.0 1.0
   46    51    53    54   0.24000  1.0 3.0
   46    51    53    55   0.24000  1.0 3.0
   46    51    53    56   0.24000  1.0 3.0
   47    46    51    53  -0.11550  1.0 1.0
   47    46    51    53   1.88700 -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
   38    48    44    45  10.50000 -1.0 2.0
   52    62    57    60   1.10000 -1.0 2.0
   64    61    60    57   1.10000 -1.0 2.0
   57    67    62    63  10.50000 -1.0 2.0
   67    79    72    73  10.50000 -1.0 2.0
   79    84    82    83  10.50000 -1.0 2.0
   84    89    87    88  10.50000 -1.0 2.0
   41    51    46    47  10.50000 -1.0 2.0
END
