* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    169    256     505
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02031   104.49886   -34.35612
    3     1 S   H    _H1_     3     1.02096    68.39643    70.37941
    4     1 S   H    _H2_     4     1.02146    44.56953  -136.39019
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   CT   _C13    36     1.84306    97.51784   161.84922
   34    33 S   HC   _H4_    37     1.09436   105.84587   -34.65964
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C14    38     1.54215   104.46121    80.02442
   39    38 S   HC   _H16    39     1.09684   109.40046   -56.64661
   40    38 S   HC   _H17    40     1.09619   113.06079    63.18675
   41    33 S   CT   _C12    53     1.55598   112.75524  -154.39946
   42    41 S   HC   _H15    54     1.09487   108.65697   -76.50174
   43    38 S   NP   _N4_    41     1.51437   112.23237  -174.39073
   44    43 S   H    _H5_    42     1.02744   106.85571    25.19738
   45    41 S   CT   _C11    55     1.54549   114.97680    45.72588
   46    45 S   HC   _H13    56     1.09170   113.83018   -43.88431
   47    45 S   HC   _H14    57     1.09529   111.55672    76.20956
   48    43 S   CT   _C15    43     1.52396   113.68426   -94.55296
   49    48 S   HC   _H18    44     1.09471   109.38874    -1.26269
   50    48 S   HC   _H19    45     1.09538   107.55425  -117.86989
   51    45 S   OS   _O34    58     1.44530   109.90554  -165.58704
   52    43 S   CT   _C20    87     1.50948   111.82987   138.66504
   53    52 S   HC   _H22    88     1.09181   107.84183    64.92182
   54    52 S   HC   _H23    89     1.09167   107.85174  -175.05114
   55    52 S   HC   _H24    90     1.09216   107.82259   -54.99646
   56    48 S   CT   _C16    46     1.52616   109.92831   122.19140
   57    56 S   HC   _H20    47     1.09695   110.09146    41.98680
   58    56 S   HC   _H21    48     1.09609   107.16065   157.49906
   59    51 S   CO4  _C10    59     1.36678   117.01353    92.64622
   60    59 S   O    _O33    60     1.22565   125.67568    -1.33633
   61    56 S   CT   _C17    49     1.53196   114.03334   -82.12470
   62    61 S   HC   _H6_    50     1.09889   109.41152   174.84474
   63    59 S   CT   _C9_    61     1.52971   110.50075   178.85090
   64    61 S   CO4  _C18    51     1.52610   111.38549    58.06048
   65    64 S   O    _O35    52     1.23538   119.28872    83.98839
   66    63 S   CT   _C8_    62     1.55758   111.30254    59.93237
   67    66 S   HC   _H3_    63     1.09736   107.65051   -60.03699
   68    63 S   CT   _C21    81     1.53207   107.98141   -64.74232
   69    68 S   HC   _H25    82     1.08755   109.60719   179.97202
   70    68 S   HC   _H26    83     1.08684   109.59363    59.92720
   71    68 S   HC   _H27    84     1.08741   109.51266   -60.04155
   72    63 S   OH   _O38    85     1.42540   107.35241  -179.06414
   73    72 S   HO   _H28    86     0.97038   106.49993    59.96171
   74    66 S   CT   _C7_    64     1.55510   111.96714    59.40217
   75    74 S   HC   _H11    65     1.09860   109.29452    76.32021
   76    74 S   HC   _H12    66     1.09673   111.07973   -39.31006
   77    66 S   CT   _C22    77     1.53820   112.14211  -177.21077
   78    77 S   HC   _H29    78     1.08537   109.27495   -62.35541
   79    77 S   HC   _H30    79     1.08502   109.23616   177.67333
   80    77 S   HC   _H31    80     1.08533   109.28480    57.69787
   81    74 S   CM   _C6_    67     1.50786   113.13840  -160.81302
   82    81 S   CO4  _C19    68     1.48672   119.95440    65.04297
   83    82 S   O    _O37    69     1.22292   124.11016  -151.30960
   84    81 S   CM   _C5_    71     1.34095   123.24209  -115.12520
   85    84 S   HC   _H10    72     1.08510   118.64342     0.18345
   86    61 S   OS   _O36    70     1.43175   111.73090   -65.58270
   87    84 S   CT   _C4_    73     1.48966   123.92578  -179.88809
   88    87 S   HC   _H7_    74     1.09334   109.93404   -89.97269
   89    87 S   HC   _H8_    75     1.09535   112.30773   149.53422
   90    87 S   HC   _H9_    76     1.09463   109.85381    29.14165
  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
  17   8   2   1   1  16   6   5  13   7  12   8   9   4   3  13
   6   5   7   4   2   1   1   8   5   4  12   4   7   4  16   3
   1  17  10   7   3   2   1   3   1  13   5   4   4   2   1   1
   9   5   2   6   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    64    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    61    64    65    41    42    45    46    47    51    52  
   38    39    40    43    64    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    48    49    50    56    64    41    42    45    52    53    54    55  
   40    43    44    48    41    52  
   43    44    48    41    52  
   42    45    46    47    51    59    86    43    56    61    62    64    65  
   45    46    47    51    61    64    65  
   44    48    49    50    56    57    58    61    52    53    54    55  
   48    49    50    56    52    53    54    55  
   46    47    51    59    60    63    61    64    65  
   47    51    59    64  
   51    59    64  
   49    50    56    57    58    61    62    64    86    52    53    54    55  
   50    56    57    58    61    52  
   56    57    58    61    52  
   59    60    63    66    68    72    64  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    61    62    64    65    82    86  
   58    61    62    64    86  
   61    62    64    86  
   60    63    66    67    74    77    68    69    70    71    72    73  
   63    66    68    72  
   62    64    65    81    82    83    86  
   64    65    82    86  
   66    67    74    75    76    81    77    78    79    80    68    69    70    71    72    73  
   65    82    86  
   86  
   67    74    75    76    81    82    84    77    78    79    80    68    69    70    71    72    73  
   74    75    76    81    77    78    79    80    68    72  
   69    70    71    72    73    74    77  
   70    71    72  
   71    72  
   72  
   73    74    77  
    0  
   75    76    81    82    83    86    84    85    87    77    78    79    80  
   76    81    82    84    77  
   81    82    84    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    86    84    85    87    88    89    90  
   83    86    84    85    87  
   86    84  
   85    87    88    89    90    86  
   87    88    89    90  
    0  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   44   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   83   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   367.000  1.471
   43    44   434.000  1.010
   43    48   367.000  1.471
   43    52   367.000  1.471
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   340.000  1.090
   61    64   317.000  1.522
   61    86   320.000  1.410
   64    65   570.000  1.229
   64    41   317.000  1.522
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   320.000  1.410
   51    59   214.000  1.327
   59    60   570.000  1.229
   59    63   317.000  1.522
   63    66   268.000  1.529
   63    68   268.000  1.529
   63    72   320.000  1.410
   66    67   340.000  1.090
   66    74   268.000  1.529
   66    77   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    81   317.000  1.510
   81    82   320.000  1.462
   81    84   549.000  1.340
   82    83   570.000  1.229
   82    86   214.000  1.327
   84    85   340.000  1.080
   84    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    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    43    80.00000  111.20000
   33    41    64    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    35.00000  109.50000
   38    43    48    75.00000  113.01200
   38    43    52    75.00000  113.01200
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    56    80.00000  111.20000
   43    52    53    35.00000  109.50000
   43    52    54    35.00000  109.50000
   43    52    55    35.00000  109.50000
   48    43    44    35.00000  109.50000
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    61    62    37.50000  110.70000
   56    61    64    63.00000  111.10000
   56    61    86    50.00000  109.50000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    64    65    80.00000  120.40000
   61    64    41    70.00000  116.00000
   61    86    82    83.00000  116.90000
   64    61    62    35.00000  109.50000
   64    41    42    35.00000  109.50000
   64    41    45    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    64    65    80.00000  120.40000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    51    50.00000  109.50000
   45    41    42    37.50000  110.70000
   45    51    59    83.00000  116.90000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    59    60    83.00000  123.40000
   51    59    63    81.00000  111.40000
   59    63    66    63.00000  111.10000
   59    63    68    63.00000  111.10000
   59    63    72    90.00000  109.61100
   63    59    60    80.00000  120.40000
   63    66    67    37.50000  110.70000
   63    66    74    58.35000  112.70000
   63    66    77    58.35000  112.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    71    37.50000  110.70000
   63    72    73    55.00000  108.50000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    81    70.00000  112.02700
   66    77    78    37.50000  110.70000
   66    77    79    37.50000  110.70000
   66    77    80    37.50000  110.70000
   74    66    67    37.50000  110.70000
   74    81    82    65.00000  116.34900
   74    81    84    70.00000  124.00000
   76    74    75    33.00000  107.80000
   81    74    75    35.00000  109.50000
   81    74    76    35.00000  109.50000
   81    82    83    80.00000  123.72100
   81    82    86    90.00000  111.29400
   81    84    85    35.00000  120.00000
   81    84    87    70.00000  124.00000
   86    61    62    35.00000  109.50000
   86    61    64    90.00000  108.74100
   86    82    83    83.00000  123.40000
   84    81    82    65.00000  118.96000
   84    87    88    35.00000  109.50000
   84    87    89    35.00000  109.50000
   84    87    90    35.00000  109.50000
   87    84    85    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    66    67    37.50000  110.70000
   77    66    74    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   68    63    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    63    66    50.00000  109.50000
   72    63    68    50.00000  109.50000
   52    43    44    35.00000  109.50000
   52    43    48    75.00000  113.01200
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    64   0.56750  1.0 1.0
   29    33    41    64  -0.07550 -1.0 2.0
   29    33    41    64   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.17350  1.0 3.0
   33    38    43    48   0.47100  1.0 1.0
   33    38    43    52   0.47100  1.0 1.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    51   0.62750  1.0 1.0
   33    41    45    51  -0.30950 -1.0 2.0
   33    41    45    51   0.27300  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.19200  1.0 3.0
   34    33    41    64  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    64  -0.95700  1.0 1.0
   38    33    41    64  -0.18200 -1.0 2.0
   38    33    41    64   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    48    49   0.15000  1.0 3.0
   38    43    48    50   0.15000  1.0 3.0
   38    43    48    56   0.47100  1.0 1.0
   38    43    52    53   0.15000  1.0 3.0
   38    43    52    54   0.15000  1.0 3.0
   38    43    52    55   0.15000  1.0 3.0
   39    38    43    44   0.13050  1.0 3.0
   39    38    43    48   0.15000  1.0 3.0
   39    38    43    52   0.15000  1.0 3.0
   40    38    43    44   0.13050  1.0 3.0
   40    38    43    48   0.15000  1.0 3.0
   40    38    43    52   0.15000  1.0 3.0
   43    48    56    57   0.19200  1.0 3.0
   43    48    56    58   0.19200  1.0 3.0
   43    48    56    61   1.36600  1.0 1.0
   43    48    56    61  -0.11450 -1.0 2.0
   43    48    56    61   0.24250  1.0 3.0
   44    43    48    49   0.13050  1.0 3.0
   44    43    48    50   0.13050  1.0 3.0
   44    43    48    56   0.17350  1.0 3.0
   44    43    52    53   0.13050  1.0 3.0
   44    43    52    54   0.13050  1.0 3.0
   44    43    52    55   0.13050  1.0 3.0
   48    43    52    53   0.15000  1.0 3.0
   48    43    52    54   0.15000  1.0 3.0
   48    43    52    55   0.15000  1.0 3.0
   48    56    61    62   0.15000  1.0 3.0
   48    56    61    64  -0.95700  1.0 1.0
   48    56    61    64  -0.18200 -1.0 2.0
   48    56    61    64   0.29450  1.0 3.0
   48    56    61    86   0.62750  1.0 1.0
   48    56    61    86  -0.30950 -1.0 2.0
   48    56    61    86   0.27300  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    61   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    61   0.15000  1.0 3.0
   56    61    64    65   0.30150 -1.0 2.0
   56    61    64    41   0.60050  1.0 1.0
   56    61    64    41   0.05600 -1.0 2.0
   56    61    64    41   0.26150  1.0 3.0
   56    61    86    82  -0.25900  1.0 1.0
   56    61    86    82  -0.47000 -1.0 2.0
   56    61    86    82   0.11750  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    64  -0.11250  1.0 3.0
   57    56    61    86   0.23400  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    64  -0.11250  1.0 3.0
   58    56    61    86   0.23400  1.0 3.0
   61    64    41    33   0.60050  1.0 1.0
   61    64    41    33   0.05600 -1.0 2.0
   61    64    41    33   0.26150  1.0 3.0
   61    64    41    42   0.00000  1.0 1.0
   61    64    41    45   0.60050  1.0 1.0
   61    64    41    45   0.05600 -1.0 2.0
   61    64    41    45   0.26150  1.0 3.0
   62    61    64    65   0.00000  1.0 1.0
   62    61    64    41   0.00000  1.0 1.0
   62    61    86    82   0.08050  1.0 3.0
   64    61    86    82  -1.80650  1.0 1.0
   64    61    86    82   0.63900 -1.0 2.0
   64    61    86    82   0.03650  1.0 3.0
   64    41    45    46  -0.11250  1.0 3.0
   64    41    45    47  -0.11250  1.0 3.0
   64    41    45    51  -0.09450  1.0 1.0
   64    41    45    51  -1.12950 -1.0 2.0
   64    41    45    51   0.54000  1.0 3.0
   65    64    41    33   0.30150 -1.0 2.0
   65    64    41    42   0.00000  1.0 1.0
   65    64    41    45   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   1.36600  1.0 1.0
   41    33    38    43  -0.11450 -1.0 2.0
   41    33    38    43   0.24250  1.0 3.0
   41    45    51    59  -0.25900  1.0 1.0
   41    45    51    59  -0.47000 -1.0 2.0
   41    45    51    59   0.11750  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    51   0.23400  1.0 3.0
   45    51    59    60   3.00000 -1.0 2.0
   45    51    59    63   1.63150  1.0 1.0
   45    51    59    63   2.92000 -1.0 2.0
   46    45    51    59   0.08050  1.0 3.0
   47    45    51    59   0.08050  1.0 3.0
   51    59    63    66   0.36750  1.0 3.0
   51    59    63    68   0.36750  1.0 3.0
   51    59    63    72   0.30750  1.0 1.0
   51    59    63    72   1.13850 -1.0 2.0
   51    59    63    72   0.38850  1.0 3.0
   59    63    66    67  -0.11250  1.0 3.0
   59    63    66    74  -0.95700  1.0 1.0
   59    63    66    74  -0.18200 -1.0 2.0
   59    63    66    74   0.29450  1.0 3.0
   59    63    66    77  -0.95700  1.0 1.0
   59    63    66    77  -0.18200 -1.0 2.0
   59    63    66    77   0.29450  1.0 3.0
   59    63    68    69  -0.11250  1.0 3.0
   59    63    68    70  -0.11250  1.0 3.0
   59    63    68    71  -0.11250  1.0 3.0
   59    63    72    73   0.91850  1.0 1.0
   59    63    72    73   0.57950  1.0 3.0
   60    59    63    66   0.30150 -1.0 2.0
   60    59    63    68   0.30150 -1.0 2.0
   60    59    63    72   0.30150 -1.0 2.0
   63    66    74    75   0.15000  1.0 3.0
   63    66    74    76   0.15000  1.0 3.0
   63    66    74    81   0.34400  1.0 1.0
   63    66    74    81   0.09450 -1.0 2.0
   63    66    74    81   0.11100  1.0 3.0
   63    66    77    78   0.15000  1.0 3.0
   63    66    77    79   0.15000  1.0 3.0
   63    66    77    80   0.15000  1.0 3.0
   66    63    68    69   0.15000  1.0 3.0
   66    63    68    70   0.15000  1.0 3.0
   66    63    68    71   0.15000  1.0 3.0
   66    63    72    73  -0.11600  1.0 1.0
   66    63    72    73  -0.09450 -1.0 2.0
   66    63    72    73   0.21250  1.0 3.0
   66    74    81    82   0.09700  1.0 1.0
   66    74    81    82   0.15600 -1.0 2.0
   66    74    81    82  -0.50800  1.0 3.0
   66    74    81    84   0.09850  1.0 1.0
   66    74    81    84   0.15250 -1.0 2.0
   66    74    81    84  -0.50650  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    81   0.15000  1.0 3.0
   67    66    77    78   0.15000  1.0 3.0
   67    66    77    79   0.15000  1.0 3.0
   67    66    77    80   0.15000  1.0 3.0
   74    66    77    78   0.15000  1.0 3.0
   74    66    77    79   0.15000  1.0 3.0
   74    66    77    80   0.15000  1.0 3.0
   74    81    82    83  -0.64400  1.0 1.0
   74    81    82    83   0.26850 -1.0 2.0
   74    81    82    86  -0.15000  1.0 1.0
   74    81    82    86   0.89550 -1.0 2.0
   74    81    82    86  -0.06900  1.0 3.0
   74    81    84    85   7.00000 -1.0 2.0
   74    81    84    87   7.00000 -1.0 2.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    84   0.00000  1.0 1.0
   76    74    81    82   0.15000  1.0 3.0
   76    74    81    84   0.00000  1.0 1.0
   81    82    86    61   2.00000 -1.0 2.0
   81    84    87    88   0.00000  1.0 1.0
   81    84    87    89   0.00000  1.0 1.0
   81    84    87    90   0.00000  1.0 1.0
   82    81    84    85   7.00000 -1.0 2.0
   82    81    84    87   7.00000 -1.0 2.0
   83    82    86    61   3.00000 -1.0 2.0
   86    61    64    65   0.30150 -1.0 2.0
   86    61    64    41   0.55300  1.0 1.0
   86    61    64    41   1.25850 -1.0 2.0
   86    61    64    41  -0.23600  1.0 3.0
   84    81    82    83   1.00000 -1.0 2.0
   84    81    82    86  -0.56150  1.0 1.0
   84    81    82    86   2.19150 -1.0 2.0
   85    84    87    88   0.33100  1.0 3.0
   85    84    87    89   0.33100  1.0 3.0
   85    84    87    90   0.33100  1.0 3.0
   77    66    74    75   0.15000  1.0 3.0
   77    66    74    76   0.15000  1.0 3.0
   77    66    74    81   0.34400  1.0 1.0
   77    66    74    81   0.09450 -1.0 2.0
   77    66    74    81   0.11100  1.0 3.0
   68    63    66    67   0.15000  1.0 3.0
   68    63    66    74   0.56750  1.0 1.0
   68    63    66    74  -0.07550 -1.0 2.0
   68    63    66    74   0.20000  1.0 3.0
   68    63    66    77   0.56750  1.0 1.0
   68    63    66    77  -0.07550 -1.0 2.0
   68    63    66    77   0.20000  1.0 3.0
   68    63    72    73  -0.11600  1.0 1.0
   68    63    72    73  -0.09450 -1.0 2.0
   68    63    72    73   0.21250  1.0 3.0
   72    63    66    67   0.23400  1.0 3.0
   72    63    66    74   0.86500  1.0 1.0
   72    63    66    74  -0.17500 -1.0 2.0
   72    63    66    74   0.20800  1.0 3.0
   72    63    66    77   0.86500  1.0 1.0
   72    63    66    77  -0.17500 -1.0 2.0
   72    63    66    77   0.20800  1.0 3.0
   72    63    68    69   0.23400  1.0 3.0
   72    63    68    70   0.23400  1.0 3.0
   72    63    68    71   0.23400  1.0 3.0
   52    43    48    49   0.15000  1.0 3.0
   52    43    48    50   0.15000  1.0 3.0
   52    43    48    56   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   61    41    64    65  10.50000 -1.0 2.0
   51    63    59    60  10.50000 -1.0 2.0
   74    82    81    84   1.10000 -1.0 2.0
   81    86    82    83  10.50000 -1.0 2.0
   87    85    84    81   1.10000 -1.0 2.0
END
