* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    165    250     481
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02123    33.32386   152.90679
    3     1 S   H    _H1_     3     1.02117    86.52672   -74.60259
    4     1 S   H    _H2_     4     1.02007    93.76697    33.92793
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C23    36     1.87019    96.92953  -158.13361
   34    33 S   HC   _H4_    37     1.09448   105.71814    34.36769
   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   CM   _C22    38     1.51277   103.85169   -80.00176
   39    38 S   CM   _C21    39     1.34478   120.94750   -97.83409
   40    38 S   OS   _O36    84     1.37826   114.60455    80.82802
   41    39 S   CM   _C20    40     1.44244   120.97191    -6.48377
   42    41 S   HC   _H24    41     1.09045   117.27483   175.38230
   43    39 S   OH   _O37    82     1.37435   125.10059   176.41608
   44    43 S   HO   _H28    83     0.96401   110.08333   177.31511
   45    40 S   CT   _C24    85     1.40699   112.54278    91.40606
   46    45 S   HC   _H25    86     1.09227   109.51399  -179.98022
   47    45 S   HC   _H26    87     1.09321   109.48550    59.17160
   48    45 S   HC   _H27    88     1.09303   108.94212   -60.39827
   49    41 S   CM   _C19    42     1.34878   122.12613   -12.30698
   50    49 S   CT   _C18    43     1.51941   119.16827  -157.72642
   51    50 S   HC   _H3_    44     1.15103   105.53543    -5.88137
   52    33 S   CT   _C7_    58     1.59238   113.99089   154.24209
   53    50 S   CT   _C17    45     1.54240   114.44091  -123.29279
   54    53 S   HC   _H22    46     1.09338   110.94616  -118.12922
   55    53 S   HC   _H23    47     1.09641   108.34615   126.46486
   56    52 S   CT   _C6_    59     1.56817   110.66446  -158.09886
   57    56 S   HC   _H10    60     1.08354   114.66088    61.18227
   58    56 S   HC   _H11    61     1.09406   109.39812   -56.12370
   59    50 S   NT   _N4_    65     1.48187   108.11065   105.62241
   60    53 S   CT   _C16    48     1.52574   114.45411     6.19495
   61    60 S   HC   _H20    49     1.07894   108.28759   160.03782
   62    60 S   HC   _H21    50     1.07694   111.61296    42.48792
   63    56 S   CT   _C5_    62     1.54743   112.40323  -174.78594
   64    63 S   HC   _H8_    63     1.09248   109.01708   180.00000
   65    63 S   HC   _H9_    64     1.09092   108.00982   -63.56395
   66    59 S   CT   _C4_    66     1.45712   114.24719  -177.13700
   67    66 S   HC   _H5_    67     1.09326   110.08019    48.52247
   68    66 S   HC   _H6_    68     1.09369   110.26219   -71.48185
   69    66 S   HC   _H7_    69     1.09294   110.22748   168.49653
   70    60 S   CA   _C9_    51     1.50785   109.80172   -78.97680
   71    70 S   CA   _C10    52     1.41211   116.87297  -116.75423
   72    71 S   HA   _H12    53     1.09007   119.72398    -3.43570
   73    71 S   CA   _C11    54     1.39120   121.61434   177.09512
   74    73 S   CA   _C12    55     1.38452   119.46241     0.02798
   75    73 S   OH   _O35    80     1.36062   119.57137   178.98702
   76    75 S   HO   _H19    81     0.97031   110.28907     0.05935
   77    74 S   CA   _C13    56     1.39471   119.70630     0.46855
   78    74 S   OS   _O34    75     1.36303   119.79655   179.64502
   79    70 S   CA   _C8_    57     1.41268   123.45406    61.00265
   80    77 S   OS   _O33    70     1.37023   115.34523   175.04999
   81    78 S   CT   _C15    76     1.42554   116.96894   -90.06274
   82    81 S   HC   _H16    77     1.09317   109.50788   180.00000
   83    81 S   HC   _H17    78     1.09295   109.51157    59.28349
   84    81 S   HC   _H18    79     1.09184   109.02358   -60.36681
   85    80 S   CT   _C14    71     1.42349   116.74094    64.71126
   86    85 S   HC   _H13    72     1.09324   109.46563  -179.97202
   87    85 S   HC   _H14    73     1.09274   109.51066    59.21734
   88    85 S   HC   _H15    74     1.09241   108.97488   -60.47240
  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
  17   7   2   1   1  14   9   7  11   4   2   1   3   2   1   1
  16  19   8  15  11   6   5  10   6   5   8   8   4   3   7   2
   1   3   2   1   1   8   8   4   8  11   3   1   8   6   2   4
   3   2   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    79    52    56    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    49    50    70    77    79    52    56    57    58    63    43    40    45  
   38    39    49    79    52    56    40  
   36    37  
   37  
    0  
   39    41    42    49    79    52    56    43    44    40    45    46    47    48  
   41    42    49    50    52    43    44    40    45  
   45    46    47    48    41    43    52  
   42    49    50    51    53    79    52    56    59    43    44  
   49    50    52    43  
   44    49  
    0  
   46    47    48  
   47    48  
   48  
    0  
   50    51    53    54    55    60    70    77    79    52    56    57    58    63    59    66  
   51    53    54    55    60    61    62    70    79    52    56    63    64    65    59    66    67    68    69  
   53    54    55    60    52    63    59    66  
   56    57    58    63    64    65    59    80    53    60    70    71    74    77    79  
   54    55    60    61    62    70    71    79    63    59    66  
   55    60    61    62    70    59  
   60    61    62    70    59  
   57    58    63    64    65    59    66    70    77    79  
   58    63    64    65    59    79  
   63    64    65    59    79  
   66    67    68    69    60    63    64    65  
   61    62    70    71    72    73    77    79  
   62    70    71    79  
   70    71    79  
   64    65    66    67    68    69    79  
   65    66  
   66  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    77    79    80    75  
   72    73    74    77    79    78    75    76  
   73    74    79    75  
   74    77    79    80    78    81    75    76  
   77    79    80    85    78    81    82    83    84    75    76  
   76    77    78  
    0  
   79    80    85    86    87    88    78    81  
   81    82    83    84    79    80  
   80    85  
   85    86    87    88  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   1.4250   1.2500   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   60   3.5000   0.0660  -0.005000   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   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   78   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   80   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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
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   317.000  1.510
   33    52   268.000  1.529
   38    39   549.000  1.340
   38    40   440.000  1.360
   39    41   380.000  1.444
   39    43   510.000  1.338
   41    42   340.000  1.080
   41    49   549.000  1.340
   49    50   317.000  1.510
   49    52   317.000  1.510
   50    51   340.000  1.090
   50    53   268.000  1.529
   50    59   382.000  1.448
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    70   317.000  1.510
   70    71   469.000  1.400
   70    79   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    77   469.000  1.400
   74    78   450.000  1.364
   77    79   469.000  1.400
   77    80   450.000  1.364
   79    52   317.000  1.510
   52    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    59   382.000  1.448
   59    66   382.000  1.448
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   80    85   320.000  1.410
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   78    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   75    76   553.000  0.945
   43    44   553.000  0.945
   40    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    40    85.00000  112.85300
   33    52    49    70.00000  112.02700
   33    52    79    70.00000  112.17500
   33    52    56    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    41    70.00000  123.01800
   38    39    43    80.00000  121.38400
   38    40    45    90.00000  111.18400
   39    41    42    35.00000  120.00000
   39    41    49    70.00000  123.01800
   39    43    44    70.00000  107.45700
   41    49    50    70.00000  124.00000
   41    49    52    70.00000  124.00000
   49    41    42    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    53    70.00000  112.02700
   49    50    59    75.00000  110.70900
   49    52    79    70.00000  112.99600
   49    52    56    70.00000  112.02700
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    60    58.35000  112.70000
   50    59    63    51.80000  107.20000
   50    59    66    51.80000  107.20000
   53    50    51    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    70    70.00000  112.17500
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    70    71    70.00000  120.00000
   60    70    79    70.00000  120.00000
   62    60    61    33.00000  107.80000
   70    60    61    35.00000  109.50000
   70    60    62    35.00000  109.50000
   70    71    72    35.00000  120.00000
   70    71    73    63.00000  120.00000
   70    79    77    63.00000  120.00000
   70    79    52    70.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    77    63.00000  120.00000
   73    74    78    70.00000  120.00000
   73    75    76    35.00000  113.00000
   74    77    79    63.00000  120.00000
   74    77    80    70.00000  120.00000
   74    78    81    75.00000  111.00000
   77    79    52    70.00000  120.00000
   77    80    85    75.00000  111.00000
   79    70    71    63.00000  120.00000
   79    52    56    70.00000  112.17500
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    49    50    65.00000  117.92700
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    63    58.35000  112.70000
   56    63    64    37.50000  110.70000
   56    63    65    37.50000  110.70000
   56    63    59    56.20000  109.47000
   58    56    57    33.00000  107.80000
   63    56    57    37.50000  110.70000
   63    56    58    37.50000  110.70000
   63    59    66    51.80000  107.20000
   65    63    64    33.00000  107.80000
   59    50    51    35.00000  109.50000
   59    50    53    56.20000  109.47000
   59    63    64    35.00000  109.50000
   59    63    65    35.00000  109.50000
   59    66    67    35.00000  109.50000
   59    66    68    35.00000  109.50000
   59    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   80    77    79    70.00000  120.00000
   80    85    86    35.00000  109.50000
   80    85    87    35.00000  109.50000
   80    85    88    35.00000  109.50000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   78    74    77    70.00000  120.00000
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   75    73    74    70.00000  120.00000
   43    39    41    80.00000  121.38400
   40    38    39    80.00000  120.01400
   40    45    46    35.00000  109.50000
   40    45    47    35.00000  109.50000
   40    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.09700  1.0 1.0
   29    33    38    40   0.15600 -1.0 2.0
   29    33    38    40  -0.50800  1.0 3.0
   29    33    52    49   0.56750  1.0 1.0
   29    33    52    49  -0.07550 -1.0 2.0
   29    33    52    49   0.20000  1.0 3.0
   29    33    52    79   0.56750  1.0 1.0
   29    33    52    79  -0.07550 -1.0 2.0
   29    33    52    79   0.20000  1.0 3.0
   29    33    52    56   0.44750  1.0 1.0
   29    33    52    56  -0.17800 -1.0 2.0
   29    33    52    56   0.20200  1.0 3.0
   33    38    39    41   7.00000 -1.0 2.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    40    45   2.00000 -1.0 2.0
   33    52    56    57   0.15000  1.0 3.0
   33    52    56    58   0.15000  1.0 3.0
   33    52    56    63   0.56750  1.0 1.0
   33    52    56    63  -0.07550 -1.0 2.0
   33    52    56    63   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    52    49   0.15000  1.0 3.0
   34    33    52    79   0.43200  1.0 3.0
   34    33    52    56   0.15000  1.0 3.0
   38    33    52    49   0.31000  1.0 1.0
   38    33    52    49   0.14700 -1.0 2.0
   38    33    52    49   0.07550  1.0 3.0
   38    33    52    79   0.21200  1.0 1.0
   38    33    52    79   0.16900 -1.0 2.0
   38    33    52    79  -1.15100  1.0 3.0
   38    33    52    56   0.34400  1.0 1.0
   38    33    52    56   0.09450 -1.0 2.0
   38    33    52    56   0.11100  1.0 3.0
   38    39    41    42  -0.18600  1.0 3.0
   38    39   -41    49   0.28850  1.0 1.0
   38    39   -41    49   2.61350 -1.0 2.0
   38    39   -41    49   0.78400  1.0 3.0
   38    39    43    44  -0.66100  1.0 1.0
   38    39    43    44   1.20850 -1.0 2.0
   38    39    43    44  -0.36000  1.0 3.0
   38    40    45    46   0.08050  1.0 3.0
   38    40    45    47   0.08050  1.0 3.0
   38    40    45    48   0.08050  1.0 3.0
   39    38    40    45  -2.26850  1.0 1.0
   39    38    40    45   3.39050 -1.0 2.0
   39    41    49    50   7.00000 -1.0 2.0
   39    41    49    52   7.00000 -1.0 2.0
   41    39    43    44  -0.66100  1.0 1.0
   41    39    43    44   1.20850 -1.0 2.0
   41    39    43    44  -0.36000  1.0 3.0
   41    49    50    51   0.00000  1.0 1.0
   41    49    50    53   0.09850  1.0 1.0
   41    49    50    53   0.15250 -1.0 2.0
   41    49    50    53  -0.50650  1.0 3.0
   41    49    50    59   0.90200  1.0 1.0
   41    49    50    59   0.57900 -1.0 2.0
   41    49    50    59  -0.62100  1.0 3.0
   41    49   -52    33   0.09850  1.0 1.0
   41    49   -52    33   0.15250 -1.0 2.0
   41    49   -52    33  -0.50650  1.0 3.0
   41    49    52    79   1.44450  1.0 1.0
   41    49    52    79   0.06600 -1.0 2.0
   41    49    52    79   0.29250  1.0 3.0
   41    49    52    56   0.09850  1.0 1.0
   41    49    52    56   0.15250 -1.0 2.0
   41    49    52    56  -0.50650  1.0 3.0
   42    41    49    50   7.00000 -1.0 2.0
   42    41    49    52   7.00000 -1.0 2.0
   49    50    53    54   0.15000  1.0 3.0
   49    50    53    55   0.15000  1.0 3.0
   49    50    53    60   0.34400  1.0 1.0
   49    50    53    60   0.09450 -1.0 2.0
   49    50    53    60   0.11100  1.0 3.0
   49    50    59    63  -0.60800  1.0 1.0
   49    50    59    63   1.10050 -1.0 2.0
   49    50    59    63   0.47000  1.0 3.0
   49    50    59    66  -0.60800  1.0 1.0
   49    50    59    66   1.10050 -1.0 2.0
   49    50    59    66   0.47000  1.0 3.0
   49    52    56    57   0.15000  1.0 3.0
   49    52    56    58   0.15000  1.0 3.0
   49    52   -56    63   0.34400  1.0 1.0
   49    52   -56    63   0.09450 -1.0 2.0
   49    52   -56    63   0.11100  1.0 3.0
   50    49    52    33   0.46850  1.0 1.0
   50    49    52    33   0.08550 -1.0 2.0
   50    49    52    33   0.09800  1.0 3.0
   50    49    52    79   0.09700  1.0 1.0
   50    49    52    79   0.15600 -1.0 2.0
   50    49    52    79  -0.50800  1.0 3.0
   50    49    52    56   0.46850  1.0 1.0
   50    49    52    56   0.08550 -1.0 2.0
   50    49    52    56   0.09800  1.0 3.0
   50    53    60    61   0.15000  1.0 3.0
   50    53    60    62   0.15000  1.0 3.0
   50    53    60    70  -0.03700  1.0 1.0
   50    53    60    70   0.37200 -1.0 2.0
   50    53    60    70  -0.47300  1.0 3.0
   50    59    66    67   0.28000  1.0 3.0
   50    59    66    68   0.28000  1.0 3.0
   50    59    66    69   0.28000  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    60   0.15000  1.0 3.0
   51    50    59    63   0.28000  1.0 3.0
   51    50    59    66   0.28000  1.0 3.0
   53    50    59    63   0.23450  1.0 1.0
   53    50    59    63   0.02050 -1.0 2.0
   53    50    59    63   0.25250  1.0 3.0
   53    50    59    66   0.23450  1.0 1.0
   53    50    59    66   0.02050 -1.0 2.0
   53    50    59    66   0.25250  1.0 3.0
   53    60    70    71   0.04150 -1.0 2.0
   53    60    70    79   0.04150 -1.0 2.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    70   0.43200  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    70   0.43200  1.0 3.0
   60    70    71    72   3.62500 -1.0 2.0
   60    70    71    73   3.62500 -1.0 2.0
   60    70    79    77   3.62500 -1.0 2.0
   60    70    79    52   3.62500 -1.0 2.0
   61    60    70    71   0.00000  1.0 1.0
   61    60    70    79   0.00000  1.0 1.0
   62    60    70    71   0.00000  1.0 1.0
   62    60    70    79   0.00000  1.0 1.0
   70    71    73    74   3.62500 -1.0 2.0
   70    71    73    75   3.62500 -1.0 2.0
   70    79    52    33   0.04150 -1.0 2.0
   70    79    52    49   0.18050 -1.0 2.0
   70    79    52    56   0.04150 -1.0 2.0
   71    70    79    77   3.62500 -1.0 2.0
   71    70    79    52   3.62500 -1.0 2.0
   71    73   -74    77   3.62500 -1.0 2.0
   71    73    74    78   3.62500 -1.0 2.0
   71    73    75    76   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74    77    79   3.62500 -1.0 2.0
   73    74    77    80   3.62500 -1.0 2.0
   73    74    78    81   1.63200 -1.0 2.0
   74    73    75    76   0.84100 -1.0 2.0
   74    77   -79    70   3.62500 -1.0 2.0
   74    77    79    52   3.62500 -1.0 2.0
   74    77    80    85   1.63200 -1.0 2.0
   74    78    81    82   0.08050  1.0 3.0
   74    78    81    83   0.08050  1.0 3.0
   74    78    81    84   0.08050  1.0 3.0
   77    74    78    81   1.63200 -1.0 2.0
   77    79    52    33   0.04150 -1.0 2.0
   77    79    52    49   0.18050 -1.0 2.0
   77    79    52    56   0.04150 -1.0 2.0
   77    80    85    86   0.08050  1.0 3.0
   77    80    85    87   0.08050  1.0 3.0
   77    80    85    88   0.08050  1.0 3.0
   79    70    71    72   3.62500 -1.0 2.0
   79    70   -71    73   3.62500 -1.0 2.0
   79    77    80    85   1.63200 -1.0 2.0
   79    52    56    57   0.43200  1.0 3.0
   79    52    56    58   0.43200  1.0 3.0
   79    52    56    63  -0.03700  1.0 1.0
   79    52    56    63   0.37200 -1.0 2.0
   79    52    56    63  -0.47300  1.0 3.0
   52    33   -38    39   0.09850  1.0 1.0
   52    33   -38    39   0.15250 -1.0 2.0
   52    33   -38    39  -0.50650  1.0 3.0
   52    33    38    40   0.09700  1.0 1.0
   52    33    38    40   0.15600 -1.0 2.0
   52    33    38    40  -0.50800  1.0 3.0
   52    49    50    51   0.34800  1.0 3.0
   52    49    50    53   0.46850  1.0 1.0
   52    49    50    53   0.08550 -1.0 2.0
   52    49    50    53   0.09800  1.0 3.0
   52    49    50    59   0.52100  1.0 1.0
   52    49    50    59  -0.20350 -1.0 2.0
   52    49    50    59   0.29750  1.0 3.0
   52    56    63    64   0.15000  1.0 3.0
   52    56    63    65   0.15000  1.0 3.0
   52    56   -63    59   1.53400  1.0 1.0
   52    56   -63    59  -0.09950 -1.0 2.0
   52    56   -63    59   0.05700  1.0 3.0
   56    63   -59    50   0.23450  1.0 1.0
   56    63   -59    50   0.02050 -1.0 2.0
   56    63   -59    50   0.25250  1.0 3.0
   56    63    59    66   0.58650  1.0 1.0
   56    63    59    66   0.12600 -1.0 2.0
   56    63    59    66   0.33350  1.0 3.0
   57    56    63    64   0.15000  1.0 3.0
   57    56    63    65   0.15000  1.0 3.0
   57    56    63    59   0.15000  1.0 3.0
   58    56    63    64   0.15000  1.0 3.0
   58    56    63    65   0.15000  1.0 3.0
   58    56    63    59   0.15000  1.0 3.0
   63    59    66    67   0.28000  1.0 3.0
   63    59    66    68   0.28000  1.0 3.0
   63    59    66    69   0.28000  1.0 3.0
   64    63    59    50   0.28000  1.0 3.0
   64    63    59    66   0.28000  1.0 3.0
   65    63    59    50   0.28000  1.0 3.0
   65    63    59    66   0.28000  1.0 3.0
   59    50    53    54   0.15000  1.0 3.0
   59    50    53    55   0.15000  1.0 3.0
   59    50    53    60   1.53400  1.0 1.0
   59    50    53    60  -0.09950 -1.0 2.0
   59    50    53    60   0.05700  1.0 3.0
   80    77    79    70   3.62500 -1.0 2.0
   80    77    79    52   3.62500 -1.0 2.0
   78    74    77    79   3.62500 -1.0 2.0
   78    74    77    80   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   75    73    74    78   3.62500 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    49   0.50950  1.0 1.0
   43    39    41    49   0.56650 -1.0 2.0
   43    39    41    49   0.34050  1.0 3.0
   40    38    39    41   7.00000 -1.0 2.0
   40    38    39    43   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   41    43    39    38   1.10000 -1.0 2.0
   39    42    41    49   1.10000 -1.0 2.0
   50    52    49    41   1.10000 -1.0 2.0
   71    79    70    60   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   77    78    74    73   4.00000 -1.0 2.0
   79    80    77    74   4.00000 -1.0 2.0
   77    52    79    70   4.00000 -1.0 2.0
END
