* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    162    247     470
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02131    90.19165   -68.81165
    3     1 S   H    _H1_     3     1.02083    90.36127    39.87527
    4     1 S   H    _H2_     4     1.02162    32.83487   165.38098
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.85242    97.19676   159.99136
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   CM   _C8_    37     1.52033   106.15943   -59.99510
   38    37 S   HC   _H29    38     1.09148   115.05787   -63.40687
   39    33 S   CT   _C21    77     1.53868   106.50069    63.23464
   40    39 S   HC   _H48    78     1.09734   112.06111    62.64781
   41    39 S   HC   _H49    79     1.09571   111.42921   -57.29529
   42    39 S   HC   _H50    80     1.09706   111.55800  -176.63961
   43    33 S   CT   _C22    81     1.54325   107.14529  -178.17748
   44    43 S   HC   _H51    82     1.09982   111.73273    55.25583
   45    43 S   HC   _H52    83     1.09879   111.26461   -62.46303
   46    37 S   CM   _C4_    39     1.34436   127.09477   117.57644
   47    46 S   HC   _H25    40     1.08156   119.36944    -0.53486
   48    43 S   C    _C10    84     1.51179   113.32763   175.53709
   49    48 S   O    _O21    85     1.22312   124.92863    86.72445
   50    46 S   CM   _C5_    41     1.45009   122.67308   179.40488
   51    50 S   HC   _H26    42     1.09147   114.05485    -0.06561
   52    48 S   OH   _O23    86     1.35586   111.18105   -93.96943
   53    52 S   HO   _H53    87     0.98138   111.91043  -179.29196
   54    50 S   CM   _C9_    43     1.35044   127.72209   179.96574
   55    54 S   CM   _C6_    44     1.46569   118.19369   179.98022
   56    55 S   HC   _H27    45     1.08962   115.97029    -0.01978
   57    54 S   CT   _C17    73     1.50823   124.59587    -0.00000
   58    57 S   HC   _H36    74     1.09248   113.79129    90.01710
   59    57 S   HC   _H37    75     1.09543   110.49603   -29.82113
   60    57 S   HC   _H38    76     1.09636   110.45518  -150.20290
   61    55 S   CM   _C7_    46     1.34406   127.18635  -179.97202
   62    61 S   HC   _H28    47     1.08694   119.98976    -0.03956
   63    61 S   C3T  _C14    48     1.47568   125.17479  -179.96574
   64    63 S   CT   _C15    49     1.49362   113.25700  -120.00799
   65    63 S   O3T  _O22    60     1.39301   109.46160    46.68183
   66    64 S   CT   _C12    50     1.57779   103.58258   -70.40842
   67    66 S   HC   _H32    51     1.09687   110.15581  -168.37286
   68    66 S   HC   _H33    52     1.09916   109.29737    75.89840
   69    64 S   CT   _C18    65     1.54108   109.18617    45.80026
   70    69 S   HC   _H39    66     1.08019   108.60913    67.39556
   71    69 S   HC   _H40    67     1.08100   108.61481   -52.58170
   72    69 S   HC   _H41    68     1.08066   108.59006  -172.57643
   73    64 S   CT   _C19    69     1.53491   115.59908   167.15216
   74    73 S   HC   _H42    70     1.08378   109.22589   -61.91809
   75    73 S   HC   _H43    71     1.08498   109.17488   178.05298
   76    73 S   HC   _H44    72     1.08481   109.18825    58.11465
   77    66 S   CT   _C11    53     1.56265   115.12806   -44.29930
   78    77 S   HC   _H30    54     1.09644   109.51725   160.91204
   79    77 S   HC   _H31    55     1.09789   107.78997   -83.90351
   80    77 S   CT   _C13    56     1.55997   114.57297    37.36212
   81    80 S   HC   _H34    57     1.09460   111.39068    75.38221
   82    80 S   HC   _H35    58     1.09699   108.66953  -168.86889
   83    63 S   C3T  _C16    59     1.55275   122.71599   109.15446
   84    83 S   CT   _C20    61     1.49387   130.91530  -175.12263
   85    84 S   HC   _H45    62     1.10098   111.40309    45.88065
   86    84 S   HC   _H46    63     1.10012   111.44962   -74.11451
   87    84 S   HC   _H47    64     1.10059   111.45803   165.81442
  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  12   5   4   3
  15   2   1   1  14   5   8   3   2   1   7   4   3   6   3   3
   2   9   3   1   1   9  11   4   4   2   1   1  10   4  22  18
  12  17   7   6   9   3   2   1   5   2   1   1   7   5   4   7
   3   2   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    52  
   35    36  
   36  
    0  
   38    46    47    50    51    54    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    52    53    46  
   45    48    49    52  
   48    49    52  
   47    50    51    54    55    57  
   50    51    54  
   49    52    53  
   52    53  
   51    54    55    56    61    57    58    59    60  
   54    55    57  
   53  
    0  
   55    56    61    62    63    57    58    59    60  
   56    61    62    63    64    83    65    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    66    80    83    65    84    69    73  
   63    64    83    65  
   64    66    67    68    77    80    81    82    83    65    84    85    86    87    69    70    71    72    73    74    75    76  
   66    67    68    77    78    79    80    83    65    84    69    70    71    72    73    74    75    76  
   84    85    86    87    69    73    66    77    80    81    82    83  
   67    68    77    78    79    80    81    82    83    69    70    71    72    73    74    75    76  
   68    77    78    79    80    69    73  
   77    78    79    80    69    73  
   70    71    72    73    74    75    76    77    83  
   71    72    73  
   72    73  
   73  
   74    75    76    77    83  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84    85    86    87  
   85    86    87  
   86    87  
   87  
    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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   549.000  1.340
   46    47   340.000  1.080
   46    50   380.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   380.000  1.444
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   549.000  1.340
   61    62   340.000  1.080
   61    63   305.000  1.480
   63    64   275.000  1.510
   63    83   260.000  1.509
   63    65   335.000  1.432
   64    66   268.000  1.529
   64    69   268.000  1.529
   64    73   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   275.000  1.510
   83    65   335.000  1.432
   83    84   275.000  1.510
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.522
   48    49   570.000  1.229
   48    52   450.000  1.364
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    63.00000  111.10000
   37    46    47    35.00000  120.00000
   37    46    50    70.00000  123.01800
   46    37    38    35.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    70.00000  123.01800
   50    46    47    35.00000  120.00000
   50    54    55    70.00000  123.01800
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  123.01800
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    63    55.00000  125.06700
   61    55    56    35.00000  120.00000
   61    63    64    65.00000  117.55000
   61    63    83    60.00000  120.58800
   61    63    65    85.00000  114.23300
   63    61    62    40.00000  117.24000
   63    64    66    70.00000  112.37300
   63    64    69    70.00000  112.37300
   63    64    73    70.00000  112.37300
   63    83    80    60.00000  120.94000
   63    83    65    15.00000   60.43100
   63    83    84    60.00000  120.94000
   63    65    83    15.00000   59.14900
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    77    58.35000  112.70000
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    72    37.50000  110.70000
   64    73    74    37.50000  110.70000
   64    73    75    37.50000  110.70000
   64    73    76    37.50000  110.70000
   66    77    78    37.50000  110.70000
   66    77    79    37.50000  110.70000
   66    77    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   77    66    67    37.50000  110.70000
   77    66    68    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    82    37.50000  110.70000
   77    80    83    70.00000  112.37300
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    65    80.00000  116.47100
   80    83    84    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    63    64    60.00000  120.94000
   83    80    81    45.00000  109.38400
   83    80    82    45.00000  109.38400
   83    84    85    45.00000  109.38400
   83    84    86    45.00000  109.38400
   83    84    87    45.00000  109.38400
   65    63    64    80.00000  116.47100
   65    63    83    15.00000   60.43100
   84    83    65    80.00000  116.47100
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   69    64    66    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    64    66    58.35000  112.70000
   73    64    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   57    54    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    80.00000  120.40000
   43    48    52    70.00000  108.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    52    53    35.00000  113.00000
   52    48    49   100.00000  123.32000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.56750  1.0 1.0
   29    33    43    48  -0.07550 -1.0 2.0
   29    33    43    48   0.20000  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    50   7.00000 -1.0 2.0
   33    43    48    49   0.30150 -1.0 2.0
   33    43    48    52   0.50000  1.0 1.0
   33    43    48    52   0.27300 -1.0 2.0
   33    43    48    52   0.22500  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48  -0.98800  1.0 1.0
   37    33    43    48   0.48800 -1.0 2.0
   37    33    43    48   0.76800  1.0 3.0
   37    46    50    51  -0.18600  1.0 3.0
   37    46    50    54   0.28850  1.0 1.0
   37    46    50    54   2.61350 -1.0 2.0
   37    46    50    54   0.78400  1.0 3.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    50   7.00000 -1.0 2.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    57   7.00000 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54  -0.18600  1.0 3.0
   50    54    55    56  -0.18600  1.0 3.0
   50    54    55    61   0.28850  1.0 1.0
   50    54    55    61   2.61350 -1.0 2.0
   50    54    55    61   0.78400  1.0 3.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54    57    60   0.00000  1.0 1.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    55    61    62   7.00000 -1.0 2.0
   54    55    61    63   7.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   55    61    63    64   0.09850  1.0 1.0
   55    61    63    64   0.15250 -1.0 2.0
   55    61    63    64  -0.50650  1.0 3.0
   55    61    63    83   0.09850  1.0 1.0
   55    61    63    83   0.15250 -1.0 2.0
   55    61    63    83  -0.50650  1.0 3.0
   55    61    63    65   0.39000  1.0 1.0
   55    61    63    65  -0.05800 -1.0 2.0
   55    61    63    65  -0.55150  1.0 3.0
   56    55    61    62   7.00000 -1.0 2.0
   56    55    61    63   7.00000 -1.0 2.0
   61    63    64    66   0.34400  1.0 1.0
   61    63    64    66   0.09450 -1.0 2.0
   61    63    64    66   0.11100  1.0 3.0
   61    63    64    69   0.34400  1.0 1.0
   61    63    64    69   0.09450 -1.0 2.0
   61    63    64    69   0.11100  1.0 3.0
   61    63    64    73   0.34400  1.0 1.0
   61    63    64    73   0.09450 -1.0 2.0
   61    63    64    73   0.11100  1.0 3.0
   61    63    83    80   0.34400  1.0 1.0
   61    63    83    80   0.09450 -1.0 2.0
   61    63    83    80   0.11100  1.0 3.0
   61    63   -83    65   0.61850  1.0 1.0
   61    63   -83    65  -0.22750 -1.0 2.0
   61    63   -83    65   0.15300  1.0 3.0
   61    63    83    84   0.34400  1.0 1.0
   61    63    83    84   0.09450 -1.0 2.0
   61    63    83    84   0.11100  1.0 3.0
   61    63   -65    83  -0.77900  1.0 1.0
   61    63   -65    83  -0.36900 -1.0 2.0
   61    63   -65    83   0.40400  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    83   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   63    64    66    67   0.15000  1.0 3.0
   63    64    66    68   0.15000  1.0 3.0
   63    64    66    77   0.47050  1.0 1.0
   63    64    66    77   0.03900 -1.0 2.0
   63    64    66    77   0.20100  1.0 3.0
   63    64    69    70   0.15000  1.0 3.0
   63    64    69    71   0.15000  1.0 3.0
   63    64    69    72   0.15000  1.0 3.0
   63    64    73    74   0.15000  1.0 3.0
   63    64    73    75   0.15000  1.0 3.0
   63    64    73    76   0.15000  1.0 3.0
   63    83    84    85   0.15000  1.0 3.0
   63    83    84    86   0.15000  1.0 3.0
   63    83    84    87   0.15000  1.0 3.0
   64    63    83    80   0.56750  1.0 1.0
   64    63    83    80  -0.07550 -1.0 2.0
   64    63    83    80   0.20000  1.0 3.0
   64    63   -83    65   0.02550  1.0 1.0
   64    63   -83    65  -0.02600 -1.0 2.0
   64    63   -83    65   1.20400  1.0 3.0
   64    63    83    84   0.56750  1.0 1.0
   64    63    83    84  -0.07550 -1.0 2.0
   64    63    83    84   0.20000  1.0 3.0
   64    63   -65    83   0.06250  1.0 1.0
   64    63   -65    83  -0.01100 -1.0 2.0
   64    63   -65    83   0.28050  1.0 3.0
   64    66    77    78   0.15000  1.0 3.0
   64    66    77    79   0.15000  1.0 3.0
   64    66   -77    80   0.56750  1.0 1.0
   64    66   -77    80  -0.07550 -1.0 2.0
   64    66   -77    80   0.20000  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    72   0.15000  1.0 3.0
   66    64    73    74   0.15000  1.0 3.0
   66    64    73    75   0.15000  1.0 3.0
   66    64    73    76   0.15000  1.0 3.0
   66    77    80    81   0.15000  1.0 3.0
   66    77    80    82   0.15000  1.0 3.0
   66    77    80    83   0.47050  1.0 1.0
   66    77    80    83   0.03900 -1.0 2.0
   66    77    80    83   0.20100  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
   68    66    77    78   0.15000  1.0 3.0
   68    66    77    79   0.15000  1.0 3.0
   68    66    77    80   0.15000  1.0 3.0
   77    80   -83    63   0.07850  1.0 1.0
   77    80   -83    63  -0.03950 -1.0 2.0
   77    80   -83    63   0.67350  1.0 3.0
   77    80    83    65   0.02550  1.0 1.0
   77    80    83    65  -0.02600 -1.0 2.0
   77    80    83    65   1.20400  1.0 3.0
   77    80    83    84   0.56750  1.0 1.0
   77    80    83    84  -0.07550 -1.0 2.0
   77    80    83    84   0.20000  1.0 3.0
   78    77    80    81   0.15000  1.0 3.0
   78    77    80    82   0.15000  1.0 3.0
   78    77    80    83   0.15000  1.0 3.0
   79    77    80    81   0.15000  1.0 3.0
   79    77    80    82   0.15000  1.0 3.0
   79    77    80    83   0.15000  1.0 3.0
   80    83   -65    63   0.06250  1.0 1.0
   80    83   -65    63  -0.01100 -1.0 2.0
   80    83   -65    63   0.28050  1.0 3.0
   80    83    84    85   0.15000  1.0 3.0
   80    83    84    86   0.15000  1.0 3.0
   80    83    84    87   0.15000  1.0 3.0
   81    80    83    63   0.15000  1.0 3.0
   81    80    83    65   0.23400  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   82    80    83    63   0.15000  1.0 3.0
   82    80    83    65   0.23400  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   83    63   -64    66   0.07850  1.0 1.0
   83    63   -64    66  -0.03950 -1.0 2.0
   83    63   -64    66   0.67350  1.0 3.0
   83    63    64    69   0.07850  1.0 1.0
   83    63    64    69  -0.03950 -1.0 2.0
   83    63    64    69   0.67350  1.0 3.0
   83    63    64    73   0.07850  1.0 1.0
   83    63    64    73  -0.03950 -1.0 2.0
   83    63    64    73   0.67350  1.0 3.0
   65    63    64    66   0.02550  1.0 1.0
   65    63    64    66  -0.02600 -1.0 2.0
   65    63    64    66   1.20400  1.0 3.0
   65    63    64    69   0.02550  1.0 1.0
   65    63    64    69  -0.02600 -1.0 2.0
   65    63    64    69   1.20400  1.0 3.0
   65    63    64    73   0.02550  1.0 1.0
   65    63    64    73  -0.02600 -1.0 2.0
   65    63    64    73   1.20400  1.0 3.0
   65    63   -83    80   0.02550  1.0 1.0
   65    63   -83    80  -0.02600 -1.0 2.0
   65    63   -83    80   1.20400  1.0 3.0
   65    63   -83    84   0.02550  1.0 1.0
   65    63   -83    84  -0.02600 -1.0 2.0
   65    63   -83    84   1.20400  1.0 3.0
   65    83    84    85   0.23400  1.0 3.0
   65    83    84    86   0.23400  1.0 3.0
   65    83    84    87   0.23400  1.0 3.0
   84    83   -65    63   0.06250  1.0 1.0
   84    83   -65    63  -0.01100 -1.0 2.0
   84    83   -65    63   0.28050  1.0 3.0
   69    64    66    67   0.15000  1.0 3.0
   69    64    66    68   0.15000  1.0 3.0
   69    64    66    77   0.56750  1.0 1.0
   69    64    66    77  -0.07550 -1.0 2.0
   69    64    66    77   0.20000  1.0 3.0
   69    64    73    74   0.15000  1.0 3.0
   69    64    73    75   0.15000  1.0 3.0
   69    64    73    76   0.15000  1.0 3.0
   73    64    66    67   0.15000  1.0 3.0
   73    64    66    68   0.15000  1.0 3.0
   73    64    66    77   0.56750  1.0 1.0
   73    64    66    77  -0.07550 -1.0 2.0
   73    64    66    77   0.20000  1.0 3.0
   73    64    69    70   0.15000  1.0 3.0
   73    64    69    71   0.15000  1.0 3.0
   73    64    69    72   0.15000  1.0 3.0
   57    54    55    56   0.00000  1.0 1.0
   57    54    55    61  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48  -0.95700  1.0 1.0
   39    33    43    48  -0.18200 -1.0 2.0
   39    33    43    48   0.29450  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   1.50000  1.0 1.0
   43    48    52    53   2.45000 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    52   0.00000  1.0 1.0
   45    43    48    49   0.00000  1.0 1.0
   45    43    48    52   0.00000  1.0 1.0
   49    48    52    53   0.92200  1.0 1.0
   49    48    52    53   3.74100 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   50    47    46    37  15.00000 -1.0 2.0
   46    51    50    54  15.00000 -1.0 2.0
   55    57    54    50  15.00000 -1.0 2.0
   54    56    55    61  15.00000 -1.0 2.0
   63    62    61    55  15.00000 -1.0 2.0
   43    52    48    49  10.50000 -1.0 2.0
END
