* LIGAND DATABASE FILE (OPLS2005)
*
001      85    89    167    273     495
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02031   104.49886   -34.35612
    3     1 S   H    _H1_     3     1.02067    68.41414    70.32497
    4     1 S   H    _H2_     4     1.02060    44.55454  -136.42507
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C22    36     1.85194    97.18312  -158.12983
   34    33 S   HC   _H5_    37     1.09688   105.04662    36.43737
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   CM   _C19    38     1.53608   106.45809   -80.01820
   39    38 S   NA   _N5_    39     1.41519   116.32976   -88.40276
   40    38 S   CMA  _C20    79     1.34503   118.49673    95.37805
   41    40 S   OM   _O33    80     1.27074   124.39298    -0.02798
   42    39 S   C56A _C18    40     1.40503   131.63412   168.76840
   43    39 S   CR3  _C11    51     1.37802   121.91984   -13.61960
   44    40 S   OS   _O34    81     1.42190   109.96830  -179.96044
   45    42 S   CA   _C17    41     1.40814   131.84297   -10.23818
   46    45 S   HA   _H20    42     1.08322   122.18562    -3.30227
   47    43 S   CT   _C10    52     1.49002   124.58484     5.28339
   48    47 S   HC   _H4_    53     1.09883   107.47382    99.04557
   49    44 S   CT   _C21    82     1.42680   116.11768  -150.04593
   50    49 S   HC   _H21    83     1.09214   109.55245  -179.95577
   51    49 S   HC   _H22    84     1.09314   109.46651    59.25023
   52    49 S   HC   _H23    85     1.09258   109.01140   -60.31090
   53    45 S   CA   _C16    43     1.39945   119.04827   177.74945
   54    53 S   HA   _H19    44     1.08657   119.33904  -179.72375
   55    33 S   CT   _C6_    54     1.57824   114.41748   154.11109
   56    53 S   CA   _C15    45     1.38861   121.00973     0.49889
   57    56 S   HA   _H18    46     1.08567   119.90727  -179.79923
   58    55 S   CT   _C7_    55     1.55619   109.11270  -169.51174
   59    58 S   HC   _H11    56     1.09751   109.92869    66.70766
   60    58 S   HC   _H12    57     1.09693   110.66688   -49.84819
   61    55 S   CT   _C5_    72     1.55174   110.28723   -51.10939
   62    61 S   HC   _H9_    73     1.08522   107.86713    62.20390
   63    61 S   HC   _H10    74     1.08559   107.84827   179.59410
   64    56 S   CA   _C14    47     1.39485   120.29706     1.10163
   65    64 S   HA   _H17    48     1.08687   119.73310   178.55558
   66    58 S   CT   _C8_    58     1.52779   113.33988  -171.04483
   67    66 S   HC   _H13    59     1.09603   109.07230   175.99645
   68    66 S   HC   _H14    60     1.09483   110.72261   -67.76763
   69    61 S   CT   _C4_    75     1.48417   110.81677   -59.15876
   70    69 S   HC   _H6_    76     1.09660   108.78297   -60.34482
   71    69 S   HC   _H7_    77     1.09572   111.34902  -179.30339
   72    69 S   HC   _H8_    78     1.09549   111.32167    58.63569
   73    42 S   C56B _C13    49     1.40869   107.90781   170.39297
   74    66 S   CT   _C9_    61     1.51769   111.77823    55.36882
   75    74 S   HC   _H15    62     1.09409   110.78055    65.47470
   76    74 S   HC   _H16    63     1.09508   110.73554  -173.39823
   77    73 S   C5B  _C12    50     1.41354   107.37097     3.49861
   78    47 S   NP   _N4_    64     1.53124   109.57960  -147.89480
   79    78 S   H    _H3_    65     1.02929   106.78387  -167.23596
   80    78 S   CT   _C24    66     1.53446   109.92136   -52.73465
   81    80 S   HC   _H26    67     1.09600   105.82317   -60.29465
   82    80 S   HC   _H27    68     1.09437   107.65786  -175.96255
   83    77 S   CT   _C23    69     1.49331   130.93098  -175.62852
   84    83 S   HC   _H24    70     1.09656   110.16773   -51.70669
   85    83 S   HC   _H25    71     1.09687   108.47872    64.85581
  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
  20   7   2   1   1  14  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    55    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    47    55    58    61    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    47    48    55    58    59    60    66    78    61    62    63    69    40    41    44  
   38    39    47    55    58    61    40  
   36    37  
   37  
    0  
   39    42    45    73    77    43    47    55    58    61    40    41    44    49  
   42    45    46    53    64    73    77    43    47    48    55    78    83    40    41    44  
   41    44    49    50    51    52    42    43    55  
   44    49  
   45    46    53    54    56    64    65    73    77    43    47    83  
   47    48    55    58    74    78    79    80    83    84    85    61    45    64    73    77  
   49    50    51    52  
   46    53    54    56    57    64    73    77  
   53    54    56    73  
   48    55    58    59    60    66    74    75    76    78    79    80    81    82    83    61    62    63    69    73    77  
   55    58    74    78    79    80    61    77  
   50    51    52  
   51    52  
   52  
    0  
   54    56    57    64    65    73  
   56    57    64  
   58    59    60    66    67    68    74    78    79    80    61    62    63    69    70    71    72    77  
   57    64    65    73    77  
   64    65    73  
   59    60    66    67    68    74    75    76    78    61    62    63    69  
   60    66    67    68    74    61  
   66    67    68    74    61  
   62    63    69    70    71    72    66    78  
   63    69    70    71    72  
   69    70    71    72  
   65    73    77    83  
   73    77  
   67    68    74    75    76    78    79    80  
   68    74    75    76    78  
   74    75    76    78  
   70    71    72  
   71    72  
   72  
    0  
   77    80    83    84    85  
   75    76    78    79    80    81    82    83  
   76    78    79    80  
   78    79    80  
   78    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82    83  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   3.5500   0.0760  -0.478700   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   44   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   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   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   78   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   85   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   317.000  1.510
   33    55   268.000  1.529
   38    39   370.000  1.395
   38    40   465.000  1.376
   39    42   428.000  1.380
   39    43   483.000  1.339
   42    45   469.000  1.400
   42    73   447.000  1.419
   45    46   367.000  1.080
   45    53   469.000  1.400
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    73   469.000  1.404
   73    77   380.000  1.440
   77    43   400.000  1.418
   77    83   295.000  1.494
   43    47   317.000  1.510
   47    48   340.000  1.090
   47    55   268.000  1.529
   47    78   367.000  1.471
   55    58   268.000  1.529
   55    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   367.000  1.471
   78    79   434.000  1.010
   78    80   367.000  1.471
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   40    41   745.000  1.250
   40    44   440.000  1.360
   44    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    55    75.00000  111.63000
   33    38    39    70.00000  115.00000
   33    38    40    70.00000  124.00000
   33    55    47    58.35000  112.70000
   33    55    58    58.35000  112.70000
   33    55    61    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    42    65.00000  124.26000
   38    39    43    70.00000  114.00000
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  120.01400
   39    42    45    70.00000  132.80000
   39    42    73    70.00000  104.40000
   39    43    77    75.00000  118.00000
   39    43    47    75.00000  115.74700
   42    45    46    35.00000  120.00000
   42    45    53    85.00000  120.00000
   42    73    64    85.00000  116.20000
   42    73    77    80.00000  107.43600
   45    53    54    35.00000  120.00000
   45    53    56    63.00000  120.00000
   53    45    46    35.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    64    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    64    65    35.00000  120.00000
   56    64    73    63.00000  120.00000
   64    56    57    35.00000  120.00000
   64    73    77    50.00000  134.85500
   73    42    45    85.00000  122.70000
   73    64    65    35.00000  120.00000
   73    77    43    75.00000  116.72000
   73    77    83    55.00000  128.73000
   77    43    47    70.00000  120.00000
   77    83    80    70.00000  112.62400
   77    83    84    45.00000  111.11700
   77    83    85    45.00000  111.11700
   43    39    42    70.00000  114.00000
   43    47    48    35.00000  109.50000
   43    47    55    70.00000  112.17500
   43    47    78    75.00000  110.83300
   47    55    58    58.35000  112.70000
   47    55    61    58.35000  112.70000
   47    78    74    75.00000  113.01200
   47    78    79    35.00000  109.50000
   47    78    80    75.00000  113.01200
   55    33    34    37.50000  110.70000
   55    33    38    70.00000  112.02700
   55    47    48    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    66    58.35000  112.70000
   55    61    62    37.50000  110.70000
   55    61    63    37.50000  110.70000
   55    61    69    58.35000  112.70000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    74    58.35000  112.70000
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    78    80.00000  111.20000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    78    79    35.00000  109.50000
   74    78    80    75.00000  113.01200
   76    74    75    33.00000  107.80000
   78    47    48    35.00000  109.50000
   78    47    55    80.00000  111.20000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    80.00000  111.20000
   80    78    79    35.00000  109.50000
   80    83    84    37.50000  110.70000
   80    83    85    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    77    43    80.00000  105.07000
   83    80    81    37.50000  110.70000
   83    80    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   61    55    58    58.35000  112.70000
   61    69    70    37.50000  110.70000
   61    69    71    37.50000  110.70000
   61    69    72    37.50000  110.70000
   63    61    62    33.00000  107.80000
   69    61    62    37.50000  110.70000
   69    61    63    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   40    38    39    75.00000  115.90000
   40    44    49    90.00000  111.18400
   44    40    41    65.00000  121.00000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    55    47   0.44750  1.0 1.0
   29    33    55    47  -0.17800 -1.0 2.0
   29    33    55    47   0.20200  1.0 3.0
   29    33    55    58   0.44750  1.0 1.0
   29    33    55    58  -0.17800 -1.0 2.0
   29    33    55    58   0.20200  1.0 3.0
   29    33    55    61   0.44750  1.0 1.0
   29    33    55    61  -0.17800 -1.0 2.0
   29    33    55    61   0.20200  1.0 3.0
   33    38    39    42   1.50000 -1.0 2.0
   33    38    39    43   1.50000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    55    58    59   0.15000  1.0 3.0
   33    55    58    60   0.15000  1.0 3.0
   33    55    58    66   0.56750  1.0 1.0
   33    55    58    66  -0.07550 -1.0 2.0
   33    55    58    66   0.20000  1.0 3.0
   33    55    61    62   0.15000  1.0 3.0
   33    55    61    63   0.15000  1.0 3.0
   33    55    61    69   0.56750  1.0 1.0
   33    55    61    69  -0.07550 -1.0 2.0
   33    55    61    69   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    55    47   0.15000  1.0 3.0
   34    33    55    58   0.15000  1.0 3.0
   34    33    55    61   0.15000  1.0 3.0
   38    33    55    47   0.34400  1.0 1.0
   38    33    55    47   0.09450 -1.0 2.0
   38    33    55    47   0.11100  1.0 3.0
   38    33    55    58   0.34400  1.0 1.0
   38    33    55    58   0.09450 -1.0 2.0
   38    33    55    58   0.11100  1.0 3.0
   38    33    55    61   0.34400  1.0 1.0
   38    33    55    61   0.09450 -1.0 2.0
   38    33    55    61   0.11100  1.0 3.0
   38    39    42    45   3.62500 -1.0 2.0
   38    39    42    73   3.62500 -1.0 2.0
   38    39    43    77   3.62500 -1.0 2.0
   38    39   -43    47   3.62500 -1.0 2.0
   38    40    44    49  -2.26850  1.0 1.0
   38    40    44    49   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    45    46   3.62500 -1.0 2.0
   39    42    45    53   3.62500 -1.0 2.0
   39    42    73    64   3.00000 -1.0 2.0
   39    42   -73    77   3.00000 -1.0 2.0
   39    43    47    48   0.00000  1.0 1.0
   39    43    47    55   0.39850  1.0 1.0
   39    43    47    55   0.06450 -1.0 2.0
   39    43    47    55   0.32400  1.0 3.0
   39    43    47    78   0.04300 -1.0 2.0
   42    39   -43    77   3.62500 -1.0 2.0
   42    39    43    47   3.62500 -1.0 2.0
   42    45    53    54   3.62500 -1.0 2.0
   42    45    53    56   3.62500 -1.0 2.0
   42    73   -77    43   3.50000 -1.0 2.0
   42    73    77    83   3.62500 -1.0 2.0
   45    42    73    64   3.00000 -1.0 2.0
   45    42    73    77   3.00000 -1.0 2.0
   45    53    56    57   3.62500 -1.0 2.0
   45    53   -56    64   3.62500 -1.0 2.0
   46    45    53    54   3.62500 -1.0 2.0
   46    45    53    56   3.62500 -1.0 2.0
   53    56    64    65   3.62500 -1.0 2.0
   53    56    64    73   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    64   3.62500 -1.0 2.0
   56    64   -73    42   3.50000 -1.0 2.0
   56    64    73    77   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    73   3.62500 -1.0 2.0
   64    73    77    43   3.62500 -1.0 2.0
   64    73    77    83   3.62500 -1.0 2.0
   65    64    73    42   3.50000 -1.0 2.0
   65    64    73    77   3.62500 -1.0 2.0
   73    42    45    46   3.62500 -1.0 2.0
   73    42   -45    53   3.62500 -1.0 2.0
   73    77   -43    39   3.62500 -1.0 2.0
   73    77    43    47   3.62500 -1.0 2.0
   73    77    83    80   0.04150 -1.0 2.0
   73    77    83    84   0.00000  1.0 1.0
   73    77    83    85   0.00000  1.0 1.0
   77    43    47    48   0.00000  1.0 1.0
   77    43    47    55   0.04150 -1.0 2.0
   77    43    47    78  -0.46400 -1.0 2.0
   43    39    42    45   3.62500 -1.0 2.0
   43    39   -42    73   3.62500 -1.0 2.0
   43    77    83    80   0.04150 -1.0 2.0
   43    77    83    84   0.00000  1.0 1.0
   43    77    83    85   0.00000  1.0 1.0
   43    47   -55    33  -0.03700  1.0 1.0
   43    47   -55    33   0.37200 -1.0 2.0
   43    47   -55    33  -0.47300  1.0 3.0
   43    47    55    58  -0.03700  1.0 1.0
   43    47    55    58   0.37200 -1.0 2.0
   43    47    55    58  -0.47300  1.0 3.0
   43    47    55    61  -0.03700  1.0 1.0
   43    47    55    61   0.37200 -1.0 2.0
   43    47    55    61  -0.47300  1.0 3.0
   43    47    78    74   0.03550  1.0 1.0
   43    47    78    74   0.09800 -1.0 2.0
   43    47    78    79   0.17350  1.0 3.0
   43    47   -78    80   0.03550  1.0 1.0
   43    47   -78    80   0.09800 -1.0 2.0
   47    55    58    59   0.15000  1.0 3.0
   47    55    58    60   0.15000  1.0 3.0
   47    55    58    66   0.56750  1.0 1.0
   47    55    58    66  -0.07550 -1.0 2.0
   47    55    58    66   0.20000  1.0 3.0
   47    55    61    62   0.15000  1.0 3.0
   47    55    61    63   0.15000  1.0 3.0
   47    55    61    69   0.56750  1.0 1.0
   47    55    61    69  -0.07550 -1.0 2.0
   47    55    61    69   0.20000  1.0 3.0
   47    78    80    81   0.15000  1.0 3.0
   47    78    80    82   0.15000  1.0 3.0
   47    78    80    83   0.47100  1.0 1.0
   48    47    55    33   0.15000  1.0 3.0
   48    47    55    58   0.15000  1.0 3.0
   48    47    55    61   0.15000  1.0 3.0
   48    47    78    74   0.15000  1.0 3.0
   48    47    78    79   0.13050  1.0 3.0
   48    47    78    80   0.15000  1.0 3.0
   55    33   -38    39   0.09700  1.0 1.0
   55    33   -38    39   0.15600 -1.0 2.0
   55    33   -38    39  -0.50800  1.0 3.0
   55    33    38    40   0.09850  1.0 1.0
   55    33    38    40   0.15250 -1.0 2.0
   55    33    38    40  -0.50650  1.0 3.0
   55    47    78    74   0.47100  1.0 1.0
   55    47    78    79   0.17350  1.0 3.0
   55    47    78    80   0.47100  1.0 1.0
   55    58    66    67   0.15000  1.0 3.0
   55    58    66    68   0.15000  1.0 3.0
   55    58   -66    74   0.56750  1.0 1.0
   55    58   -66    74  -0.07550 -1.0 2.0
   55    58   -66    74   0.20000  1.0 3.0
   55    61    69    70   0.15000  1.0 3.0
   55    61    69    71   0.15000  1.0 3.0
   55    61    69    72   0.15000  1.0 3.0
   58    55    61    62   0.15000  1.0 3.0
   58    55    61    63   0.15000  1.0 3.0
   58    55    61    69   0.56750  1.0 1.0
   58    55    61    69  -0.07550 -1.0 2.0
   58    55    61    69   0.20000  1.0 3.0
   58    66    74    75   0.15000  1.0 3.0
   58    66    74    76   0.15000  1.0 3.0
   58    66    74    78   1.36600  1.0 1.0
   58    66    74    78  -0.11450 -1.0 2.0
   58    66    74    78   0.24250  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    74   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    74   0.15000  1.0 3.0
   66    74   -78    47   0.47100  1.0 1.0
   66    74    78    79   0.17350  1.0 3.0
   66    74    78    80   0.47100  1.0 1.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    78   0.19200  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    78   0.19200  1.0 3.0
   74    78    80    81   0.15000  1.0 3.0
   74    78    80    82   0.15000  1.0 3.0
   74    78    80    83   0.47100  1.0 1.0
   75    74    78    47   0.15000  1.0 3.0
   75    74    78    79   0.13050  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   76    74    78    47   0.15000  1.0 3.0
   76    74    78    79   0.13050  1.0 3.0
   76    74    78    80   0.15000  1.0 3.0
   78    47    55    33   1.36600  1.0 1.0
   78    47    55    33  -0.11450 -1.0 2.0
   78    47    55    33   0.24250  1.0 3.0
   78    47   -55    58   1.36600  1.0 1.0
   78    47   -55    58  -0.11450 -1.0 2.0
   78    47   -55    58   0.24250  1.0 3.0
   78    47    55    61   1.36600  1.0 1.0
   78    47    55    61  -0.11450 -1.0 2.0
   78    47    55    61   0.24250  1.0 3.0
   78    80   -83    77   1.24050  1.0 1.0
   78    80   -83    77   0.48100 -1.0 2.0
   78    80   -83    77   1.08150  1.0 3.0
   78    80    83    84   0.19200  1.0 3.0
   78    80    83    85   0.19200  1.0 3.0
   79    78    80    81   0.13050  1.0 3.0
   79    78    80    82   0.13050  1.0 3.0
   79    78    80    83   0.17350  1.0 3.0
   81    80    83    77   0.43200  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    85   0.15000  1.0 3.0
   82    80    83    77   0.43200  1.0 3.0
   82    80    83    84   0.15000  1.0 3.0
   82    80    83    85   0.15000  1.0 3.0
   83    77    43    39   3.62500 -1.0 2.0
   83    77   -43    47   3.62500 -1.0 2.0
   61    55    58    59   0.15000  1.0 3.0
   61    55    58    60   0.15000  1.0 3.0
   61    55    58    66   0.56750  1.0 1.0
   61    55    58    66  -0.07550 -1.0 2.0
   61    55    58    66   0.20000  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    72   0.15000  1.0 3.0
   63    61    69    70   0.15000  1.0 3.0
   63    61    69    71   0.15000  1.0 3.0
   63    61    69    72   0.15000  1.0 3.0
   40    38    39    42   1.50000 -1.0 2.0
   40    38    39    43   1.50000 -1.0 2.0
   40    44    49    50   0.08050  1.0 3.0
   40    44    49    51   0.08050  1.0 3.0
   40    44    49    52   0.08050  1.0 3.0
   41    40    44    49   2.00000 -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    39    38    40   1.10000 -1.0 2.0
   42    43    39    38   4.00000 -1.0 2.0
   45    73    42    39   4.00000 -1.0 2.0
   53    46    45    42   1.10000 -1.0 2.0
   56    54    53    45   1.10000 -1.0 2.0
   64    57    56    53   1.10000 -1.0 2.0
   73    65    64    56   1.10000 -1.0 2.0
   64    77    73    42   4.00000 -1.0 2.0
   43    83    77    73   4.00000 -1.0 2.0
   77    47    43    39   4.00000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
