* LIGAND DATABASE FILE (OPLS2005)
*
001      89    91    161    241     464
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02069    33.86361  -175.85962
    3     1 S   H    _H1_     3     1.02104    95.24070   -59.84809
    4     1 S   H    _H2_     4     1.02064    84.69935    48.48469
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C16    36     1.84386   100.85195   159.95405
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C17    37     1.53323   107.97232    60.03876
   38    37 S   HC   _H13    38     1.09456   112.70352   -61.91502
   39    37 S   HC   _H14    39     1.09775   109.84055    56.13563
   40    37 S   HC   _H15    40     1.09622   112.04333   174.05578
   41    33 S   OH   _O35    41     1.43201   110.87159   173.96610
   42    41 S   HO   _H16    42     0.97105   106.84676   -56.08010
   43    33 S   OS   _O34    43     1.44171   113.32197   -56.75697
   44    43 S   CA   _C14    44     1.36090   122.12954   -91.89850
   45    44 S   CA   _C13    45     1.39020   120.15789    29.95480
   46    45 S   HA   _H11    46     1.08605   120.36645     0.07913
   47    45 S   CA   _C12    47     1.39844   120.10166   179.68596
   48    47 S   HA   _H10    48     1.08658   117.51074  -179.51261
   49    47 S   CA   _C11    49     1.40539   121.13376     0.40830
   50    49 S   CA   _C10    50     1.39795   117.75799     0.40974
   51    44 S   CA   _C15    51     1.39147   120.20245  -149.97275
   52    51 S   HA   _H12    52     1.08762   119.85005    -0.17017
   53    50 S   OS   _O33    53     1.36538   122.87463  -178.97664
   54    53 S   CT   _C9_    54     1.44602   117.23932   -23.51532
   55    54 S   CM   _C8_    55     1.53175   113.36260    33.28006
   56    54 S   CT   _C18    82     1.54059   103.41521   155.90142
   57    56 S   HC   _H17    83     1.08428   109.16303    57.14610
   58    56 S   HC   _H18    84     1.08483   109.16298   -62.85567
   59    56 S   HC   _H19    85     1.08381   109.17399   177.13003
   60    54 S   CT   _C19    86     1.54004   106.87762   -89.50352
   61    60 S   HC   _H20    87     1.08536   109.24335   -55.83462
   62    60 S   HC   _H21    88     1.08528   109.28102  -175.84767
   63    60 S   HC   _H22    89     1.08558   109.28074    64.12837
   64    55 S   CA   _C20    56     1.47803   117.53650   159.29358
   65    49 S   CM   _C7_    71     1.47893   122.87421  -178.09063
   66    64 S   CA   _C21    57     1.39464   120.03154   -91.61932
   67    66 S   HA   _H23    58     1.08739   120.87590    -0.00000
   68    65 S   CT   _C6_    72     1.50814   117.83781     9.69882
   69    68 S   HC   _H8_    73     1.09096   106.76533   149.98916
   70    68 S   HC   _H9_    74     1.08919   108.22701    32.57682
   71    66 S   CA   _C22    59     1.39489   120.00272   179.94405
   72    71 S   HA   _H24    60     1.08687   119.67903  -180.00000
   73    68 S   CT   _C5_    75     1.51959   110.47673   -90.25138
   74    73 S   HC   _H6_    76     1.09691   110.57531    60.01996
   75    73 S   HC   _H7_    77     1.09582   108.34327   -57.18205
   76    71 S   CA   _C23    61     1.39468   120.03607     0.05595
   77    73 S   CT   _C4_    78     1.52213   112.85695  -177.45863
   78    77 S   HC   _H3_    79     1.09474   110.94342    56.64889
   79    77 S   HC   _H4_    80     1.09431   111.37905   -64.18304
   80    77 S   HC   _H5_    81     1.09425   110.12654   176.23319
   81    76 S   CA   _C24    62     1.39463   119.96115    -0.05595
   82    81 S   HA   _H25    63     1.08677   120.33425  -179.97202
   83    76 S   OS   _O36    66     1.36064   120.04934   179.96044
   84    64 S   CA   _C25    64     1.39540   119.99266    88.35437
   85    84 S   HA   _H26    65     1.08784   120.83691     0.03956
   86    83 S   CT   _C26    67     1.42632   117.09511   179.96574
   87    86 S   HC   _H27    68     1.09233   109.52785   179.97202
   88    86 S   HC   _H28    69     1.09272   109.54627    59.21301
   89    86 S   HC   _H29    70     1.09286   109.00149   -60.40732
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   8   3
  12   9   4   1  12  14  20   9   3   2   1   5   2   1   1  11
   9   8   4   9   5   4   7   3   6   5   4   9   3   2   1   1
   5   3   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    51    52  
   45    46    47    48    49    50    51    52    53  
   46    47    48    49    50    51    52    65  
   47    48    49    51  
   48    49    50    51    53    55    65    68  
   49    50    65  
   50    51    52    53    54    55    64    65    68    69    70    73  
   51    52    53    54    55    65    68    56    60  
   52    53    54    65  
   53  
   54    55    64    65    56    57    58    59    60    61    62    63  
   55    64    66    84    65    68    56    57    58    59    60    61    62    63  
   64    66    67    71    81    84    85    65    68    69    70    73    56    57    58    59    60    61    62    63  
   57    58    59    60    61    62    63    64    65  
   58    59    60  
   59    60  
   60  
   61    62    63    64    65  
   62    63  
   63  
    0  
   66    67    71    72    76    81    82    84    85    65    68  
   68    69    70    73    74    75    77    66    84  
   67    71    72    76    81    84    85    83  
   71    72    76    84  
   69    70    73    74    75    77    78    79    80  
   70    73    74    75    77  
   73    74    75    77  
   72    76    81    82    84    83    86  
   76    81    83  
   74    75    77    78    79    80  
   75    77    78    79    80  
   77    78    79    80  
   81    82    84    85    83    86    87    88    89  
   78    79    80  
   79    80  
   80  
    0  
   82    84    85    83    86  
   84    85    83  
   86    87    88    89    84  
   85  
    0  
   87    88    89  
   88    89  
   89  
    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   3.5000   0.0660   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660   0.269000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5000   0.0660  -0.180000   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
   81   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   83   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    51   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    65   320.000  1.460
   50    51   469.000  1.400
   50    53   450.000  1.364
   51    52   367.000  1.080
   53    54   320.000  1.410
   54    55   317.000  1.510
   54    56   268.000  1.529
   54    60   268.000  1.529
   55    64   320.000  1.460
   55    65   549.000  1.340
   64    66   469.000  1.400
   64    84   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    81   469.000  1.400
   76    83   450.000  1.364
   81    82   367.000  1.080
   81    84   469.000  1.400
   84    85   367.000  1.080
   83    86   320.000  1.410
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    51    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    51    50    63.00000  120.00000
   44    51    52    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    65    60.00000  120.93500
   49    47    48    35.00000  120.00000
   49    50    51    63.00000  120.00000
   49    50    53    70.00000  120.00000
   49    65    55    60.00000  123.20500
   49    65    68    65.00000  118.87000
   50    51    52    35.00000  120.00000
   50    53    54    75.00000  111.00000
   51    44    45    63.00000  120.00000
   53    50    51    70.00000  120.00000
   53    54    55    85.00000  110.90400
   53    54    56    50.00000  109.50000
   53    54    60    50.00000  109.50000
   54    55    64    60.00000  124.00000
   54    55    65    70.00000  124.00000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    62    37.50000  110.70000
   54    60    63    37.50000  110.70000
   55    64    66    60.00000  118.70000
   55    64    84    60.00000  118.70000
   55    65    68    70.00000  124.00000
   64    66    67    35.00000  120.00000
   64    66    71    63.00000  120.00000
   64    84    81    63.00000  120.00000
   64    84    85    35.00000  120.00000
   66    71    72    35.00000  120.00000
   66    71    76    63.00000  120.00000
   71    66    67    35.00000  120.00000
   71    76    81    63.00000  120.00000
   71    76    83    70.00000  120.00000
   76    71    72    35.00000  120.00000
   76    81    82    35.00000  120.00000
   76    81    84    63.00000  120.00000
   76    83    86    75.00000  111.00000
   81    84    85    35.00000  120.00000
   84    64    66    63.00000  120.00000
   84    81    82    35.00000  120.00000
   83    76    81    70.00000  120.00000
   83    86    87    35.00000  109.50000
   83    86    88    35.00000  109.50000
   83    86    89    35.00000  109.50000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   65    49    50    60.00000  120.93500
   65    55    64    60.00000  123.66000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    73    70.00000  112.02700
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    80    37.50000  110.70000
   75    73    74    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   56    54    55    70.00000  112.02700
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    54    55    70.00000  112.02700
   60    54    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    51   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    51    50   3.62500 -1.0 2.0
   43    44    51    52   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    51    50   3.62500 -1.0 2.0
   45    44    51    52   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    65   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    65    55   0.15800  1.0 1.0
   47    49    65    55   1.85350 -1.0 2.0
   47    49    65    55  -0.48700  1.0 3.0
   47    49    65    68  -0.02500  1.0 1.0
   47    49    65    68  -0.32150 -1.0 2.0
   47    49    65    68  -0.01500  1.0 3.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    65   3.62500 -1.0 2.0
   49    50   -51    44   3.62500 -1.0 2.0
   49    50    51    52   3.62500 -1.0 2.0
   49    50    53    54   1.63200 -1.0 2.0
   49    65    68    69   0.77000  1.0 3.0
   49    65    68    70   0.77000  1.0 3.0
   49    65    68    73  -0.01700  1.0 1.0
   49    65    68    73   0.06550 -1.0 2.0
   49    65    68    73  -0.91500  1.0 3.0
   50    49    65    55   0.15800  1.0 1.0
   50    49    65    55   1.85350 -1.0 2.0
   50    49    65    55  -0.48700  1.0 3.0
   50    49    65    68  -0.02500  1.0 1.0
   50    49    65    68  -0.32150 -1.0 2.0
   50    49    65    68  -0.01500  1.0 3.0
   50    53   -54    55  -0.25600  1.0 1.0
   50    53   -54    55  -0.40050 -1.0 2.0
   50    53   -54    55   0.34700  1.0 3.0
   50    53    54    56  -0.32850  1.0 1.0
   50    53    54    56  -0.35800 -1.0 2.0
   50    53    54    56   0.33950  1.0 3.0
   50    53    54    60  -0.32850  1.0 1.0
   50    53    54    60  -0.35800 -1.0 2.0
   50    53    54    60   0.33950  1.0 3.0
   51    44    45    46   3.62500 -1.0 2.0
   51    44   -45    47   3.62500 -1.0 2.0
   51    50    53    54   1.63200 -1.0 2.0
   53    50    51    44   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    54    55    64   0.09700  1.0 1.0
   53    54    55    64   0.15600 -1.0 2.0
   53    54    55    64  -0.50800  1.0 3.0
   53    54    55    65   0.39000  1.0 1.0
   53    54    55    65  -0.05800 -1.0 2.0
   53    54    55    65  -0.55150  1.0 3.0
   53    54    56    57   0.23400  1.0 3.0
   53    54    56    58   0.23400  1.0 3.0
   53    54    56    59   0.23400  1.0 3.0
   53    54    60    61   0.23400  1.0 3.0
   53    54    60    62   0.23400  1.0 3.0
   53    54    60    63   0.23400  1.0 3.0
   54    55    64    66  -0.02500  1.0 1.0
   54    55    64    66  -0.32150 -1.0 2.0
   54    55    64    66  -0.01500  1.0 3.0
   54    55    64    84  -0.02500  1.0 1.0
   54    55    64    84  -0.32150 -1.0 2.0
   54    55    64    84  -0.01500  1.0 3.0
   54    55   -65    49   7.00000 -1.0 2.0
   54    55    65    68   7.00000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    59   0.15000  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    62   0.15000  1.0 3.0
   55    54    60    63   0.15000  1.0 3.0
   55    64    66    67   3.62500 -1.0 2.0
   55    64    66    71   3.62500 -1.0 2.0
   55    64    84    81   3.62500 -1.0 2.0
   55    64    84    85   3.62500 -1.0 2.0
   55    65    68    69   0.00000  1.0 1.0
   55    65    68    70   0.00000  1.0 1.0
   55    65    68    73   0.09850  1.0 1.0
   55    65    68    73   0.15250 -1.0 2.0
   55    65    68    73  -0.50650  1.0 3.0
   64    55    65    49   7.00000 -1.0 2.0
   64    55    65    68   7.00000 -1.0 2.0
   64    66    71    72   3.62500 -1.0 2.0
   64    66    71    76   3.62500 -1.0 2.0
   66    64    84    81   3.62500 -1.0 2.0
   66    64    84    85   3.62500 -1.0 2.0
   66    71   -76    81   3.62500 -1.0 2.0
   66    71    76    83   3.62500 -1.0 2.0
   67    66    71    72   3.62500 -1.0 2.0
   67    66    71    76   3.62500 -1.0 2.0
   71    76    81    82   3.62500 -1.0 2.0
   71    76    81    84   3.62500 -1.0 2.0
   71    76    83    86   1.63200 -1.0 2.0
   72    71    76    81   3.62500 -1.0 2.0
   72    71    76    83   3.62500 -1.0 2.0
   76    81   -84    64   3.62500 -1.0 2.0
   76    81    84    85   3.62500 -1.0 2.0
   76    83    86    87   0.08050  1.0 3.0
   76    83    86    88   0.08050  1.0 3.0
   76    83    86    89   0.08050  1.0 3.0
   81    76    83    86   1.63200 -1.0 2.0
   82    81    84    64   3.62500 -1.0 2.0
   82    81    84    85   3.62500 -1.0 2.0
   84    64    66    67   3.62500 -1.0 2.0
   84    64   -66    71   3.62500 -1.0 2.0
   83    76    81    82   3.62500 -1.0 2.0
   83    76    81    84   3.62500 -1.0 2.0
   65    49    50    51   3.62500 -1.0 2.0
   65    49   -50    53   3.62500 -1.0 2.0
   65    55    64    66   0.15800  1.0 1.0
   65    55    64    66   1.85350 -1.0 2.0
   65    55    64    66  -0.48700  1.0 3.0
   65    55    64    84   0.15800  1.0 1.0
   65    55    64    84   1.85350 -1.0 2.0
   65    55    64    84  -0.48700  1.0 3.0
   65    68    73    74   0.15000  1.0 3.0
   65    68    73    75   0.15000  1.0 3.0
   65    68    73    77   0.34400  1.0 1.0
   65    68    73    77   0.09450 -1.0 2.0
   65    68    73    77   0.11100  1.0 3.0
   68    73    77    78   0.15000  1.0 3.0
   68    73    77    79   0.15000  1.0 3.0
   68    73    77    80   0.15000  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    77   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    77   0.15000  1.0 3.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    80   0.15000  1.0 3.0
   75    73    77    78   0.15000  1.0 3.0
   75    73    77    79   0.15000  1.0 3.0
   75    73    77    80   0.15000  1.0 3.0
   56    54    55    64  -0.01700  1.0 1.0
   56    54    55    64   0.06550 -1.0 2.0
   56    54    55    64  -0.91500  1.0 3.0
   56    54    55    65   0.09850  1.0 1.0
   56    54    55    65   0.15250 -1.0 2.0
   56    54    55    65  -0.50650  1.0 3.0
   56    54    60    61   0.15000  1.0 3.0
   56    54    60    62   0.15000  1.0 3.0
   56    54    60    63   0.15000  1.0 3.0
   60    54    55    64  -0.01700  1.0 1.0
   60    54    55    64   0.06550 -1.0 2.0
   60    54    55    64  -0.91500  1.0 3.0
   60    54    55    65   0.09850  1.0 1.0
   60    54    55    65   0.15250 -1.0 2.0
   60    54    55    65  -0.50650  1.0 3.0
   60    54    56    57   0.15000  1.0 3.0
   60    54    56    58   0.15000  1.0 3.0
   60    54    56    59   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   45    51    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    65    49    47   4.00000 -1.0 2.0
   51    53    50    49   4.00000 -1.0 2.0
   50    52    51    44   1.10000 -1.0 2.0
   54    64    55    65   1.10000 -1.0 2.0
   66    84    64    55   4.00000 -1.0 2.0
   71    67    66    64   1.10000 -1.0 2.0
   76    72    71    66   1.10000 -1.0 2.0
   81    83    76    71   4.00000 -1.0 2.0
   84    82    81    76   1.10000 -1.0 2.0
   81    85    84    64   1.10000 -1.0 2.0
   49    68    65    55   1.10000 -1.0 2.0
END
