* LIGAND DATABASE FILE (OPLS2005)
*
001      86    90    170    279     506
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02084    90.77306   -67.90953
    3     1 S   H    _H1_     3     1.02100    89.82341    40.80283
    4     1 S   H    _H2_     4     1.02120    32.84641   167.35127
    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   _C20    36     1.83972    96.97564  -178.15051
   34    33 S   HC   _H6_    37     1.13315   102.58980    31.38811
   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   _C19    38     1.54893   109.49300   -79.99276
   39    38 S   HC   _H5_    39     1.08105   110.72486    61.64720
   40    38 S   NA   _N5_    40     1.46408   106.95383   177.18033
   41    38 S   CO4  _C21    80     1.49707   116.35423   -62.00638
   42    41 S   O    _O33    81     1.22263   124.06194  -114.86586
   43    40 S   C56A _C18    41     1.42000   125.43211  -143.30552
   44    40 S   CR3  _C11    52     1.28432   126.50662    28.27561
   45    41 S   OS   _O34    82     1.36401   109.52712    65.06570
   46    43 S   CA   _C17    42     1.38257   128.23481    -6.40028
   47    46 S   HA   _H21    43     1.07986   123.30226    -1.14175
   48    44 S   CT   _C10    53     1.48510   123.83216     6.36566
   49    48 S   HC   _H4_    54     1.10703   106.90843   103.84320
   50    45 S   CT   _C22    83     1.43040   115.42633   179.97202
   51    50 S   HC   _H22    84     1.09290   109.54257  -179.96044
   52    50 S   HC   _H23    85     1.09343   109.55642    59.26379
   53    50 S   HC   _H24    86     1.09236   109.01582   -60.36059
   54    46 S   CA   _C16    44     1.39838   117.15682   177.94757
   55    54 S   HA   _H20    45     1.08651   119.58820  -179.71814
   56    33 S   CT   _C6_    55     1.58327   115.04532   147.65983
   57    54 S   CA   _C15    46     1.40983   121.24120    -0.33220
   58    57 S   HA   _H19    47     1.08760   119.33539  -178.98086
   59    56 S   CT   _C7_    56     1.55725   110.41565   -67.42578
   60    59 S   HC   _H12    57     1.10108   109.74374   165.06259
   61    59 S   HC   _H13    58     1.09774   110.86347    48.99845
   62    56 S   CT   _C5_    73     1.55319   111.86962    50.02441
   63    62 S   HC   _H10    74     1.08519   107.75285   -58.90638
   64    62 S   HC   _H11    75     1.08470   107.84773    58.48347
   65    57 S   CA   _C14    48     1.39802   121.10291     0.29007
   66    65 S   HA   _H18    49     1.08386   120.70209  -179.28181
   67    59 S   CT   _C8_    59     1.52676   114.20922   -72.02314
   68    67 S   HC   _H14    60     1.10806   108.86374    79.20748
   69    67 S   HC   _H15    61     1.10774   110.54182  -166.74601
   70    62 S   CT   _C4_    76     1.48419   110.75241   179.78786
   71    70 S   HC   _H7_    77     1.09539   108.73522   -60.49016
   72    70 S   HC   _H8_    78     1.09549   111.34788  -179.41885
   73    70 S   HC   _H9_    79     1.09536   111.38339    58.49651
   74    43 S   C56B _C13    50     1.41349   110.15518   172.07046
   75    67 S   CT   _C9_    62     1.52251   114.37472   -42.44474
   76    75 S   HC   _H16    63     1.09479   110.69766   107.49196
   77    75 S   HC   _H17    64     1.09565   110.46777  -131.53735
   78    74 S   C5B  _C12    51     1.44635   105.15197     0.97237
   79    48 S   NP   _N4_    65     1.52891   107.56422  -144.84882
   80    79 S   H    _H3_    66     1.03187   105.92112  -167.66645
   81    79 S   CT   _C24    67     1.52920   112.05081   -52.63448
   82    81 S   HC   _H27    68     1.09792   106.05626   -60.37197
   83    81 S   HC   _H28    69     1.09690   107.26238  -175.49333
   84    78 S   CT   _C23    70     1.47651   130.29606  -155.38922
   85    84 S   HC   _H25    71     1.09345   110.17891   -63.51886
   86    84 S   HC   _H26    72     1.09430   109.37032    53.73778
  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
  21   8   2   1   1  15   7  16   9   2  12  16   4   8   4  21
   8   3   2   1   1   6   3  18   5   3  13   6   5   8   5   4
   4   2   8   5   4   3   2   1   1   5   8   4   3   7   7   4
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    56    59    62    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    48    49    56    59    60    61    67    79    62    63    64    70    41    42    45  
   38    39    40    48    56    59    62    41  
   36    37  
   37  
    0  
   39    40    43    46    74    78    44    48    56    59    62    41    42    45    50  
   40    43    44    56    41    42    45  
   43    46    47    54    65    74    78    44    48    49    56    79    84    41    42    45  
   42    45    50    51    52    53    43    44    56  
   45    50  
   46    47    54    55    57    65    66    74    78    44    48    84  
   48    49    56    59    75    79    80    81    84    85    86    62    46    65    74    78  
   50    51    52    53  
   47    54    55    57    58    65    74    78  
   54    55    57    74  
   49    56    59    60    61    67    75    76    77    79    80    81    82    83    84    62    63    64    70    74    78  
   56    59    75    79    80    81    62    78  
   51    52    53  
   52    53  
   53  
    0  
   55    57    58    65    66    74  
   57    58    65  
   59    60    61    67    68    69    75    79    80    81    62    63    64    70    71    72    73    78  
   58    65    66    74    78  
   65    66    74  
   60    61    67    68    69    75    76    77    79    62    63    64    70  
   61    67    68    69    75    62  
   67    68    69    75    62  
   63    64    70    71    72    73    67    79  
   64    70    71    72    73  
   70    71    72    73  
   66    74    78    84  
   74    78  
   68    69    75    76    77    79    80    81  
   69    75    76    77    79  
   75    76    77    79  
   71    72    73  
   72    73  
   73  
    0  
   78    81    84    85    86  
   76    77    79    80    81    82    83    84  
   77    79    80    81  
   79    80    81  
   79    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83    84  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   79   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   80   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   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    56   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.443
   38    41   317.000  1.522
   40    43   428.000  1.380
   40    44   483.000  1.339
   43    46   469.000  1.400
   43    74   447.000  1.419
   46    47   367.000  1.080
   46    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    65   469.000  1.400
   65    66   367.000  1.080
   65    74   469.000  1.404
   74    78   380.000  1.440
   78    44   400.000  1.418
   78    84   295.000  1.494
   44    48   317.000  1.510
   48    49   340.000  1.090
   48    56   268.000  1.529
   48    79   367.000  1.471
   56    59   268.000  1.529
   56    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   367.000  1.471
   79    80   434.000  1.010
   79    81   367.000  1.471
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    56    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    75.00000  111.19500
   33    38    41    63.00000  111.10000
   33    56    48    58.35000  112.70000
   33    56    59    58.35000  112.70000
   33    56    62    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    43    65.00000  128.16600
   38    40    44    70.00000  114.00000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   40    38    39    50.00000  108.61900
   40    43    46    70.00000  132.80000
   40    43    74    70.00000  104.40000
   40    44    78    75.00000  118.00000
   40    44    48    75.00000  115.74700
   43    46    47    35.00000  120.00000
   43    46    54    85.00000  120.00000
   43    74    65    85.00000  116.20000
   43    74    78    80.00000  107.43600
   46    54    55    35.00000  120.00000
   46    54    57    63.00000  120.00000
   54    46    47    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    65    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    65    66    35.00000  120.00000
   57    65    74    63.00000  120.00000
   65    57    58    35.00000  120.00000
   65    74    78    50.00000  134.85500
   74    43    46    85.00000  122.70000
   74    65    66    35.00000  120.00000
   74    78    44    75.00000  116.72000
   74    78    84    55.00000  128.73000
   78    44    48    70.00000  120.00000
   78    84    81    70.00000  112.62400
   78    84    85    45.00000  111.11700
   78    84    86    45.00000  111.11700
   44    40    43    70.00000  114.00000
   44    48    49    35.00000  109.50000
   44    48    56    70.00000  112.17500
   44    48    79    75.00000  110.83300
   48    56    59    58.35000  112.70000
   48    56    62    58.35000  112.70000
   48    79    75    75.00000  113.01200
   48    79    80    35.00000  109.50000
   48    79    81    75.00000  113.01200
   56    33    34    37.50000  110.70000
   56    33    38    58.35000  112.70000
   56    48    49    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    67    58.35000  112.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    70    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    69    37.50000  110.70000
   59    67    75    58.35000  112.70000
   61    59    60    33.00000  107.80000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    75    76    37.50000  110.70000
   67    75    77    37.50000  110.70000
   67    75    79    80.00000  111.20000
   69    67    68    33.00000  107.80000
   75    67    68    37.50000  110.70000
   75    67    69    37.50000  110.70000
   75    79    80    35.00000  109.50000
   75    79    81    75.00000  113.01200
   77    75    76    33.00000  107.80000
   79    48    49    35.00000  109.50000
   79    48    56    80.00000  111.20000
   79    75    76    35.00000  109.50000
   79    75    77    35.00000  109.50000
   79    81    82    35.00000  109.50000
   79    81    83    35.00000  109.50000
   79    81    84    80.00000  111.20000
   81    79    80    35.00000  109.50000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   83    81    82    33.00000  107.80000
   84    78    44    80.00000  105.07000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   86    84    85    33.00000  107.80000
   62    56    59    58.35000  112.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   64    62    63    33.00000  107.80000
   70    62    63    37.50000  110.70000
   70    62    64    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    70.00000  114.96000
   41    45    50    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    50    51    35.00000  109.50000
   45    50    52    35.00000  109.50000
   45    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    56    48   0.44750  1.0 1.0
   29    33    56    48  -0.17800 -1.0 2.0
   29    33    56    48   0.20200  1.0 3.0
   29    33    56    59   0.44750  1.0 1.0
   29    33    56    59  -0.17800 -1.0 2.0
   29    33    56    59   0.20200  1.0 3.0
   29    33    56    62   0.44750  1.0 1.0
   29    33    56    62  -0.17800 -1.0 2.0
   29    33    56    62   0.20200  1.0 3.0
   33    38    40    43   1.10250  1.0 1.0
   33    38    40    43   0.01650 -1.0 2.0
   33    38    40    43   0.39100  1.0 3.0
   33    38    40    44   1.10250  1.0 1.0
   33    38    40    44   0.01650 -1.0 2.0
   33    38    40    44   0.39100  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    56    59    60   0.15000  1.0 3.0
   33    56    59    61   0.15000  1.0 3.0
   33    56    59    67   0.56750  1.0 1.0
   33    56    59    67  -0.07550 -1.0 2.0
   33    56    59    67   0.20000  1.0 3.0
   33    56    62    63   0.15000  1.0 3.0
   33    56    62    64   0.15000  1.0 3.0
   33    56    62    70   0.56750  1.0 1.0
   33    56    62    70  -0.07550 -1.0 2.0
   33    56    62    70   0.20000  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    41  -0.11250  1.0 3.0
   34    33    56    48   0.15000  1.0 3.0
   34    33    56    59   0.15000  1.0 3.0
   34    33    56    62   0.15000  1.0 3.0
   38    33    56    48   0.56750  1.0 1.0
   38    33    56    48  -0.07550 -1.0 2.0
   38    33    56    48   0.20000  1.0 3.0
   38    33    56    59   0.56750  1.0 1.0
   38    33    56    59  -0.07550 -1.0 2.0
   38    33    56    59   0.20000  1.0 3.0
   38    33    56    62   0.56750  1.0 1.0
   38    33    56    62  -0.07550 -1.0 2.0
   38    33    56    62   0.20000  1.0 3.0
   38    40    43    46   3.62500 -1.0 2.0
   38    40    43    74   3.62500 -1.0 2.0
   38    40    44    78   3.62500 -1.0 2.0
   38    40   -44    48   3.62500 -1.0 2.0
   38    41    45    50   1.63150  1.0 1.0
   38    41    45    50   2.92000 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    45   0.40000  1.0 3.0
   40    43    46    47   3.62500 -1.0 2.0
   40    43    46    54   3.62500 -1.0 2.0
   40    43    74    65   3.00000 -1.0 2.0
   40    43   -74    78   3.00000 -1.0 2.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    56   0.39850  1.0 1.0
   40    44    48    56   0.06450 -1.0 2.0
   40    44    48    56   0.32400  1.0 3.0
   40    44    48    79   0.04300 -1.0 2.0
   43    40   -44    78   3.62500 -1.0 2.0
   43    40    44    48   3.62500 -1.0 2.0
   43    46    54    55   3.62500 -1.0 2.0
   43    46    54    57   3.62500 -1.0 2.0
   43    74   -78    44   3.50000 -1.0 2.0
   43    74    78    84   3.62500 -1.0 2.0
   46    43    74    65   3.00000 -1.0 2.0
   46    43    74    78   3.00000 -1.0 2.0
   46    54    57    58   3.62500 -1.0 2.0
   46    54   -57    65   3.62500 -1.0 2.0
   47    46    54    55   3.62500 -1.0 2.0
   47    46    54    57   3.62500 -1.0 2.0
   54    57    65    66   3.62500 -1.0 2.0
   54    57    65    74   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    65   3.62500 -1.0 2.0
   57    65   -74    43   3.50000 -1.0 2.0
   57    65    74    78   3.62500 -1.0 2.0
   58    57    65    66   3.62500 -1.0 2.0
   58    57    65    74   3.62500 -1.0 2.0
   65    74    78    44   3.62500 -1.0 2.0
   65    74    78    84   3.62500 -1.0 2.0
   66    65    74    43   3.50000 -1.0 2.0
   66    65    74    78   3.62500 -1.0 2.0
   74    43    46    47   3.62500 -1.0 2.0
   74    43   -46    54   3.62500 -1.0 2.0
   74    78   -44    40   3.62500 -1.0 2.0
   74    78    44    48   3.62500 -1.0 2.0
   74    78    84    81   0.04150 -1.0 2.0
   74    78    84    85   0.00000  1.0 1.0
   74    78    84    86   0.00000  1.0 1.0
   78    44    48    49   0.00000  1.0 1.0
   78    44    48    56   0.04150 -1.0 2.0
   78    44    48    79  -0.46400 -1.0 2.0
   44    40    43    46   3.62500 -1.0 2.0
   44    40   -43    74   3.62500 -1.0 2.0
   44    78    84    81   0.04150 -1.0 2.0
   44    78    84    85   0.00000  1.0 1.0
   44    78    84    86   0.00000  1.0 1.0
   44    48   -56    33  -0.03700  1.0 1.0
   44    48   -56    33   0.37200 -1.0 2.0
   44    48   -56    33  -0.47300  1.0 3.0
   44    48    56    59  -0.03700  1.0 1.0
   44    48    56    59   0.37200 -1.0 2.0
   44    48    56    59  -0.47300  1.0 3.0
   44    48    56    62  -0.03700  1.0 1.0
   44    48    56    62   0.37200 -1.0 2.0
   44    48    56    62  -0.47300  1.0 3.0
   44    48    79    75   0.03550  1.0 1.0
   44    48    79    75   0.09800 -1.0 2.0
   44    48    79    80   0.17350  1.0 3.0
   44    48   -79    81   0.03550  1.0 1.0
   44    48   -79    81   0.09800 -1.0 2.0
   48    56    59    60   0.15000  1.0 3.0
   48    56    59    61   0.15000  1.0 3.0
   48    56    59    67   0.56750  1.0 1.0
   48    56    59    67  -0.07550 -1.0 2.0
   48    56    59    67   0.20000  1.0 3.0
   48    56    62    63   0.15000  1.0 3.0
   48    56    62    64   0.15000  1.0 3.0
   48    56    62    70   0.56750  1.0 1.0
   48    56    62    70  -0.07550 -1.0 2.0
   48    56    62    70   0.20000  1.0 3.0
   48    79    81    82   0.15000  1.0 3.0
   48    79    81    83   0.15000  1.0 3.0
   48    79    81    84   0.47100  1.0 1.0
   49    48    56    33   0.15000  1.0 3.0
   49    48    56    59   0.15000  1.0 3.0
   49    48    56    62   0.15000  1.0 3.0
   49    48    79    75   0.15000  1.0 3.0
   49    48    79    80   0.13050  1.0 3.0
   49    48    79    81   0.15000  1.0 3.0
   56    33    38    39   0.15000  1.0 3.0
   56    33   -38    40  -0.64600  1.0 1.0
   56    33   -38    40   0.58400 -1.0 2.0
   56    33    38    41  -0.95700  1.0 1.0
   56    33    38    41  -0.18200 -1.0 2.0
   56    33    38    41   0.29450  1.0 3.0
   56    48    79    75   0.47100  1.0 1.0
   56    48    79    80   0.17350  1.0 3.0
   56    48    79    81   0.47100  1.0 1.0
   56    59    67    68   0.15000  1.0 3.0
   56    59    67    69   0.15000  1.0 3.0
   56    59   -67    75   0.56750  1.0 1.0
   56    59   -67    75  -0.07550 -1.0 2.0
   56    59   -67    75   0.20000  1.0 3.0
   56    62    70    71   0.15000  1.0 3.0
   56    62    70    72   0.15000  1.0 3.0
   56    62    70    73   0.15000  1.0 3.0
   59    56    62    63   0.15000  1.0 3.0
   59    56    62    64   0.15000  1.0 3.0
   59    56    62    70   0.56750  1.0 1.0
   59    56    62    70  -0.07550 -1.0 2.0
   59    56    62    70   0.20000  1.0 3.0
   59    67    75    76   0.15000  1.0 3.0
   59    67    75    77   0.15000  1.0 3.0
   59    67    75    79   1.36600  1.0 1.0
   59    67    75    79  -0.11450 -1.0 2.0
   59    67    75    79   0.24250  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    69   0.15000  1.0 3.0
   60    59    67    75   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    69   0.15000  1.0 3.0
   61    59    67    75   0.15000  1.0 3.0
   67    75   -79    48   0.47100  1.0 1.0
   67    75    79    80   0.17350  1.0 3.0
   67    75    79    81   0.47100  1.0 1.0
   68    67    75    76   0.15000  1.0 3.0
   68    67    75    77   0.15000  1.0 3.0
   68    67    75    79   0.19200  1.0 3.0
   69    67    75    76   0.15000  1.0 3.0
   69    67    75    77   0.15000  1.0 3.0
   69    67    75    79   0.19200  1.0 3.0
   75    79    81    82   0.15000  1.0 3.0
   75    79    81    83   0.15000  1.0 3.0
   75    79    81    84   0.47100  1.0 1.0
   76    75    79    48   0.15000  1.0 3.0
   76    75    79    80   0.13050  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   77    75    79    48   0.15000  1.0 3.0
   77    75    79    80   0.13050  1.0 3.0
   77    75    79    81   0.15000  1.0 3.0
   79    48    56    33   1.36600  1.0 1.0
   79    48    56    33  -0.11450 -1.0 2.0
   79    48    56    33   0.24250  1.0 3.0
   79    48   -56    59   1.36600  1.0 1.0
   79    48   -56    59  -0.11450 -1.0 2.0
   79    48   -56    59   0.24250  1.0 3.0
   79    48    56    62   1.36600  1.0 1.0
   79    48    56    62  -0.11450 -1.0 2.0
   79    48    56    62   0.24250  1.0 3.0
   79    81   -84    78   1.24050  1.0 1.0
   79    81   -84    78   0.48100 -1.0 2.0
   79    81   -84    78   1.08150  1.0 3.0
   79    81    84    85   0.19200  1.0 3.0
   79    81    84    86   0.19200  1.0 3.0
   80    79    81    82   0.13050  1.0 3.0
   80    79    81    83   0.13050  1.0 3.0
   80    79    81    84   0.17350  1.0 3.0
   82    81    84    78   0.43200  1.0 3.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   83    81    84    78   0.43200  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   84    78    44    40   3.62500 -1.0 2.0
   84    78   -44    48   3.62500 -1.0 2.0
   62    56    59    60   0.15000  1.0 3.0
   62    56    59    61   0.15000  1.0 3.0
   62    56    59    67   0.56750  1.0 1.0
   62    56    59    67  -0.07550 -1.0 2.0
   62    56    59    67   0.20000  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    72   0.15000  1.0 3.0
   63    62    70    73   0.15000  1.0 3.0
   64    62    70    71   0.15000  1.0 3.0
   64    62    70    72   0.15000  1.0 3.0
   64    62    70    73   0.15000  1.0 3.0
   41    38    40    43   0.68100  1.0 1.0
   41    38    40    43   0.03350 -1.0 2.0
   41    38    40    43   0.36200  1.0 3.0
   41    38    40    44   0.68100  1.0 1.0
   41    38    40    44   0.03350 -1.0 2.0
   41    38    40    44   0.36200  1.0 3.0
   41    45    50    51   0.08050  1.0 3.0
   41    45    50    52   0.08050  1.0 3.0
   41    45    50    53   0.08050  1.0 3.0
   42    41    45    50   3.00000 -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
   43    44    40    38   4.00000 -1.0 2.0
   46    74    43    40   4.00000 -1.0 2.0
   54    47    46    43   1.10000 -1.0 2.0
   57    55    54    46   1.10000 -1.0 2.0
   65    58    57    54   1.10000 -1.0 2.0
   74    66    65    57   1.10000 -1.0 2.0
   65    78    74    43   4.00000 -1.0 2.0
   44    84    78    74   4.00000 -1.0 2.0
   78    48    44    40   4.00000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
