* LIGAND DATABASE FILE (OPLS2005)
*
001      82    83    156    247     471
    1     0 S   NP   _N1_     1    28.79630    94.80458   -24.88543
    2     1 S   H    _HN1     2     1.02785   113.55561   -89.20593
    3     1 S   H    _H1_     3     1.02950    79.71318    16.45957
    4     1 S   H    _H2_     4     1.02828    27.74491  -172.94523
    5     1 S   CT   _CA1     5     1.50112   126.43272   124.30598
    6     5 S   HC   _HA1     6     1.09573   105.20521    85.52354
    7     5 S   CO3  _C1_     7     1.53791   112.41936   -34.72744
    8     7 S   O2Z  _O11     8     1.26374   115.00843   -43.46950
    9     7 S   O2Z  _O12     9     1.26236   114.94230   135.64644
   10     5 S   CT   _CB1    10     1.53076   107.41764  -156.50019
   11    10 S   HC   HB11    11     1.09832   109.39305   -49.75167
   12    10 S   HC   HB12    12     1.09813   110.44203    66.85577
   13    10 S   CT   _CG1    13     1.52989   112.59930  -170.72879
   14    13 S   HC   HG11    14     1.09585   110.61785   -65.06392
   15    13 S   HC   HG12    15     1.09668   109.80956    54.17130
   16    13 S   C    _CD1    16     1.51800   112.21982   174.62925
   17    16 S   O    _OE1    17     1.22733   123.28067     6.08715
   18    16 S   N    _N2_    18     1.38641   111.67080  -174.05862
   19    18 S   H    _HN2    19     1.01584   118.96067     1.66929
   20    18 S   CT1  _CA2    20     1.46201   123.38994   177.91982
   21    20 S   HC   _HA2    21     1.09738   109.37880     1.56072
   22    20 S   C    _C2_    22     1.53525   108.53055  -113.94557
   23    22 S   O    _O2_    23     1.23052   122.32453  -147.31318
   24    20 S   CT   _CB2    32     1.53316   111.61149   123.53193
   25    24 S   HC   HB21    33     1.09587   110.12552    56.66096
   26    24 S   HC   HB22    34     1.09388   109.95257   175.60724
   27    22 S   N    _N3_    24     1.38352   113.65570    40.07491
   28    27 S   H    _HN3    25     1.01590   119.56930    -3.31287
   29    24 S   S    _SG2    35     1.82753   111.47011   -63.99591
   30    27 S   CT   _CA3    26     1.45286   123.18800   177.13147
   31    30 S   HC   HA31    27     1.09550   107.50193   -64.68436
   32    30 S   HC   HA32    28     1.09558   107.98581    51.74302
   33    29 S   CT   _C7_    36     1.84998    99.59892   178.24889
   34    33 S   HC   _H4_    37     1.09726   106.12992   -40.32096
   35    30 S   CO3  _C3_    29     1.52956   114.10960   173.75007
   36    35 S   O2Z  _O31    30     1.26373   116.08182    -0.61517
   37    35 S   O2Z  _O32    31     1.26433   114.41042   179.45249
   38    33 S   CT   _C8_    38     1.54653   109.88782  -157.26953
   39    38 S   HC   _H5_    39     1.09744   109.35922   -57.89052
   40    33 S   CT   _C6_    54     1.55338   111.52543    77.69524
   41    40 S   HC   _H3_    55     1.09360   108.22031   -62.47867
   42    38 S   CT   _C9_    40     1.55440   111.49095  -179.79537
   43    40 S   OS   _O34    56     1.44323   109.96693    58.13809
   44    38 S   CO4  _C20    80     1.52772   111.37661    57.90873
   45    44 S   O    _O37    81     1.22699   124.19390    42.82136
   46    44 S   HC   _H27    82     1.10419   115.20472  -140.62423
   47    42 S   CT   _C10    41     1.58606   112.15288    56.10574
   48    43 S   CO4  _C5_    57     1.36333   118.94212  -105.77290
   49    48 S   O    _O33    58     1.22282   126.71737    -2.22862
   50    42 S   CO4  _C19    75     1.53165   109.86159  -179.27073
   51    50 S   O    _O35    76     1.22750   124.23013   123.10555
   52    50 S   HC   _H25    77     1.10350   115.78110   -56.06397
   53    42 S   OH   _O36    78     1.43460   108.74511   -63.00411
   54    53 S   HO   _H26    79     0.97317   108.84978   -61.36940
   55    47 S   CT   _C15    42     1.55903   109.67392  -173.36735
   56    55 S   HC   _H14    43     1.09713   110.41857    48.92310
   57    55 S   HC   _H15    44     1.09710   110.40174   -67.84682
   58    48 S   CT   _C4_    59     1.49840   109.25013   178.17115
   59    58 S   HC   _H7_    60     1.09294   109.80487   -60.38915
   60    58 S   HC   _H8_    61     1.09371   109.37394  -179.40752
   61    58 S   HC   _H9_    62     1.09293   109.79933    61.47400
   62    47 S   CT   _C18    71     1.55087   109.35698    69.17494
   63    62 S   HC   _H22    72     1.09115   113.45865   -50.63083
   64    62 S   HC   _H23    73     1.08623   113.28817  -173.23456
   65    62 S   HC   _H24    74     1.09648   110.91258    68.72911
   66    55 S   CT   _C14    45     1.52417   113.46327   169.87463
   67    66 S   HC   _H12    46     1.09445   111.08929    63.79801
   68    66 S   HC   _H13    47     1.09670   108.89147  -179.57113
   69    66 S   CT   _C13    48     1.52149   110.75595   -59.83272
   70    69 S   HC   _H10    49     1.09762   109.00855  -177.82399
   71    69 S   HC   _H11    50     1.09888   108.09706   -63.21728
   72    69 S   CT   _C12    51     1.55072   113.79839    58.49072
   73    47 S   CT   _C11    52     1.58898   107.53517   -55.78208
   74    73 S   HC   _H6_    53     1.10276   103.98171   -54.34079
   75    72 S   CT   _C16    63     1.55439   106.36893  -168.71554
   76    75 S   HC   _H16    64     1.09462   111.95635  -171.96095
   77    75 S   HC   _H17    65     1.09571   111.46384    66.97194
   78    75 S   HC   _H18    66     1.09674   111.02345   -52.56863
   79    72 S   CT   _C17    67     1.53898   109.09329    77.77491
   80    79 S   HC   _H19    68     1.09097   112.07879   174.98949
   81    79 S   HC   _H20    69     1.09782   110.33405    57.22792
   82    79 S   HC   _H21    70     1.08745   113.80119   -61.40338
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  17   8  16   6  20  10   5   1   1  21   6
   4   7   2   1   4   1  15   7   6   3   2   1   1   7   3   2
   1   9   5   4  13   5   4  10   9   2   7   3   2   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    73    40    41    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    47    72    73    74    40    41    43    48    50    53    44    45    46  
   38    39    42    73    40    41    43    44  
   36    37  
   37  
    0  
   39    42    47    55    73    40    41    43    62    50    51    52    53    54    44    45    46  
   42    47    40    50    53    44    45    46  
   41    43    48    49    58    75    79    62    44    42    47    55    69    72    73    74  
   43    48    47    72    73    74  
   47    55    56    57    66    72    73    74    62    63    64    65    50    51    52    53    54    44    45    46  
   48    49    58    59    60    61    47    72    73    74  
   45    46    47    50    53  
   46  
    0  
   55    56    57    66    67    68    69    72    73    74    75    79    62    63    64    65    50    51    52    53    54  
   49    58    59    60    61    73  
   58    59    60    61  
   51    52    53    54    55    62    73  
   52    53  
   53  
   54    55    62    73  
    0  
   56    57    66    67    68    69    70    71    72    73    74    62    63    64    65  
   57    66    67    68    69    73    62  
   66    67    68    69    73    62  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    72    73    74  
   64    65    73  
   65    73  
   73  
   67    68    69    70    71    72    73    75    79  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78    79    80    81    82  
   71    72    73    75    79  
   72    73    75    79  
   73    74    75    76    77    78    79    80    81    82  
   74    75    76    77    78    79    80    81    82  
   75    79  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   46   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   52   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    44   317.000  1.522
   42    47   268.000  1.529
   42    50   317.000  1.522
   42    53   320.000  1.410
   47    55   268.000  1.529
   47    73   268.000  1.529
   47    62   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    75   268.000  1.529
   72    79   268.000  1.529
   73    74   340.000  1.090
   73    40   268.000  1.529
   40    41   340.000  1.090
   40    43   320.000  1.410
   43    48   214.000  1.327
   48    49   570.000  1.229
   48    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   50    51   570.000  1.229
   50    52   340.000  1.090
   53    54   553.000  0.945
   44    45   570.000  1.229
   44    46   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    44    63.00000  111.10000
   33    40    73    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    43    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    47    58.35000  112.70000
   38    42    50    63.00000  111.10000
   38    42    53    50.00000  109.50000
   38    44    45    80.00000  120.40000
   38    44    46    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    47    55    58.35000  112.70000
   42    47    73    58.35000  112.70000
   42    47    62    58.35000  112.70000
   42    50    51    80.00000  120.40000
   42    50    52    35.00000  115.00000
   42    53    54    55.00000  108.50000
   47    55    56    37.50000  110.70000
   47    55    57    37.50000  110.70000
   47    55    66    58.35000  112.70000
   47    73    72    58.35000  112.70000
   47    73    74    37.50000  110.70000
   47    73    40    58.35000  112.70000
   47    62    63    37.50000  110.70000
   47    62    64    37.50000  110.70000
   47    62    65    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    69    58.35000  112.70000
   57    55    56    33.00000  107.80000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    75    58.35000  112.70000
   69    72    79    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    74    37.50000  110.70000
   72    73    40    58.35000  112.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    37.50000  110.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   73    47    55    58.35000  112.70000
   73    40    41    37.50000  110.70000
   73    40    43    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    73    74    37.50000  110.70000
   40    43    48    83.00000  116.90000
   43    40    41    35.00000  109.50000
   43    48    49    83.00000  123.40000
   43    48    58    81.00000  111.40000
   48    58    59    35.00000  109.50000
   48    58    60    35.00000  109.50000
   48    58    61    35.00000  109.50000
   58    48    49    80.00000  120.40000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   75    72    73    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    72    73    58.35000  112.70000
   79    72    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   62    47    55    58.35000  112.70000
   62    47    73    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   50    42    47    63.00000  111.10000
   52    50    51    35.00000  123.00000
   53    42    47    50.00000  109.50000
   53    42    50    90.00000  109.61100
   44    38    39    35.00000  109.50000
   44    38    42    63.00000  111.10000
   46    44    45    35.00000  123.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    73   0.44750  1.0 1.0
   29    33    40    73  -0.17800 -1.0 2.0
   29    33    40    73   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    47   0.56750  1.0 1.0
   33    38    42    47  -0.07550 -1.0 2.0
   33    38    42    47   0.20000  1.0 3.0
   33    38    42    50  -0.95700  1.0 1.0
   33    38    42    50  -0.18200 -1.0 2.0
   33    38    42    50   0.29450  1.0 3.0
   33    38    42    53   0.86500  1.0 1.0
   33    38    42    53  -0.17500 -1.0 2.0
   33    38    42    53   0.20800  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    46   0.74550  1.0 1.0
   33    38    44    46  -0.00500 -1.0 2.0
   33    40    43    48  -0.25900  1.0 1.0
   33    40    43    48  -0.47000 -1.0 2.0
   33    40    43    48   0.11750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    40    73   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    43   0.23400  1.0 3.0
   38    33    40    73   0.56750  1.0 1.0
   38    33    40    73  -0.07550 -1.0 2.0
   38    33    40    73   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    43   0.62750  1.0 1.0
   38    33    40    43  -0.30950 -1.0 2.0
   38    33    40    43   0.27300  1.0 3.0
   38    42    47    55   0.56750  1.0 1.0
   38    42    47    55  -0.07550 -1.0 2.0
   38    42    47    55   0.20000  1.0 3.0
   38    42   -47    73   0.56750  1.0 1.0
   38    42   -47    73  -0.07550 -1.0 2.0
   38    42   -47    73   0.20000  1.0 3.0
   38    42    47    62   0.56750  1.0 1.0
   38    42    47    62  -0.07550 -1.0 2.0
   38    42    47    62   0.20000  1.0 3.0
   38    42    50    51   0.30150 -1.0 2.0
   38    42    50    52   0.74550  1.0 1.0
   38    42    50    52  -0.00500 -1.0 2.0
   38    42    53    54  -0.11600  1.0 1.0
   38    42    53    54  -0.09450 -1.0 2.0
   38    42    53    54   0.21250  1.0 3.0
   39    38    42    47   0.15000  1.0 3.0
   39    38    42    50  -0.11250  1.0 3.0
   39    38    42    53   0.23400  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    46   0.00000  1.0 1.0
   42    38    44    45   0.30150 -1.0 2.0
   42    38    44    46   0.74550  1.0 1.0
   42    38    44    46  -0.00500 -1.0 2.0
   42    47    55    56   0.15000  1.0 3.0
   42    47    55    57   0.15000  1.0 3.0
   42    47    55    66   0.56750  1.0 1.0
   42    47    55    66  -0.07550 -1.0 2.0
   42    47    55    66   0.20000  1.0 3.0
   42    47    73    72   0.56750  1.0 1.0
   42    47    73    72  -0.07550 -1.0 2.0
   42    47    73    72   0.20000  1.0 3.0
   42    47    73    74   0.15000  1.0 3.0
   42    47    73    40   0.56750  1.0 1.0
   42    47    73    40  -0.07550 -1.0 2.0
   42    47    73    40   0.20000  1.0 3.0
   42    47    62    63   0.15000  1.0 3.0
   42    47    62    64   0.15000  1.0 3.0
   42    47    62    65   0.15000  1.0 3.0
   47    42    50    51   0.30150 -1.0 2.0
   47    42    50    52   0.74550  1.0 1.0
   47    42    50    52  -0.00500 -1.0 2.0
   47    42    53    54  -0.11600  1.0 1.0
   47    42    53    54  -0.09450 -1.0 2.0
   47    42    53    54   0.21250  1.0 3.0
   47    55    66    67   0.15000  1.0 3.0
   47    55    66    68   0.15000  1.0 3.0
   47    55    66    69   0.56750  1.0 1.0
   47    55    66    69  -0.07550 -1.0 2.0
   47    55    66    69   0.20000  1.0 3.0
   47    73   -40    33   0.56750  1.0 1.0
   47    73   -40    33  -0.07550 -1.0 2.0
   47    73   -40    33   0.20000  1.0 3.0
   47    73    40    41   0.15000  1.0 3.0
   47    73    40    43   0.62750  1.0 1.0
   47    73    40    43  -0.30950 -1.0 2.0
   47    73    40    43   0.27300  1.0 3.0
   55    47    73    72   0.56750  1.0 1.0
   55    47    73    72  -0.07550 -1.0 2.0
   55    47    73    72   0.20000  1.0 3.0
   55    47    73    74   0.15000  1.0 3.0
   55    47    73    40   0.56750  1.0 1.0
   55    47    73    40  -0.07550 -1.0 2.0
   55    47    73    40   0.20000  1.0 3.0
   55    47    62    63   0.15000  1.0 3.0
   55    47    62    64   0.15000  1.0 3.0
   55    47    62    65   0.15000  1.0 3.0
   55    66    69    70   0.15000  1.0 3.0
   55    66    69    71   0.15000  1.0 3.0
   55    66   -69    72   0.56750  1.0 1.0
   55    66   -69    72  -0.07550 -1.0 2.0
   55    66   -69    72   0.20000  1.0 3.0
   56    55    66    67   0.15000  1.0 3.0
   56    55    66    68   0.15000  1.0 3.0
   56    55    66    69   0.15000  1.0 3.0
   57    55    66    67   0.15000  1.0 3.0
   57    55    66    68   0.15000  1.0 3.0
   57    55    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   66    69    72    79   0.56750  1.0 1.0
   66    69    72    79  -0.07550 -1.0 2.0
   66    69    72    79   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72   -73    47   0.56750  1.0 1.0
   69    72   -73    47  -0.07550 -1.0 2.0
   69    72   -73    47   0.20000  1.0 3.0
   69    72    73    74   0.15000  1.0 3.0
   69    72    73    40   0.56750  1.0 1.0
   69    72    73    40  -0.07550 -1.0 2.0
   69    72    73    40   0.20000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.15000  1.0 3.0
   69    72    79    80   0.15000  1.0 3.0
   69    72    79    81   0.15000  1.0 3.0
   69    72    79    82   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   70    69    72    79   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   71    69    72    79   0.15000  1.0 3.0
   72    73    40    33   0.56750  1.0 1.0
   72    73    40    33  -0.07550 -1.0 2.0
   72    73    40    33   0.20000  1.0 3.0
   72    73    40    41   0.15000  1.0 3.0
   72    73    40    43   0.62750  1.0 1.0
   72    73    40    43  -0.30950 -1.0 2.0
   72    73    40    43   0.27300  1.0 3.0
   73    47    55    56   0.15000  1.0 3.0
   73    47    55    57   0.15000  1.0 3.0
   73    47   -55    66   0.56750  1.0 1.0
   73    47   -55    66  -0.07550 -1.0 2.0
   73    47   -55    66   0.20000  1.0 3.0
   73    47    62    63   0.15000  1.0 3.0
   73    47    62    64   0.15000  1.0 3.0
   73    47    62    65   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   73    72    79    80   0.15000  1.0 3.0
   73    72    79    81   0.15000  1.0 3.0
   73    72    79    82   0.15000  1.0 3.0
   73    40    43    48  -0.25900  1.0 1.0
   73    40    43    48  -0.47000 -1.0 2.0
   73    40    43    48   0.11750  1.0 3.0
   74    73    40    33   0.15000  1.0 3.0
   74    73    40    41   0.15000  1.0 3.0
   74    73    40    43   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    42   0.56750  1.0 1.0
   40    33   -38    42  -0.07550 -1.0 2.0
   40    33   -38    42   0.20000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    43    48    49   3.00000 -1.0 2.0
   40    43    48    58   1.63150  1.0 1.0
   40    43    48    58   2.92000 -1.0 2.0
   41    40    43    48   0.08050  1.0 3.0
   43    48    58    59   0.00000  1.0 1.0
   43    48    58    60   0.00000  1.0 1.0
   43    48    58    61   0.00000  1.0 1.0
   49    48    58    59   0.00000  1.0 1.0
   49    48    58    60   0.00000  1.0 1.0
   49    48    58    61   0.00000  1.0 1.0
   75    72    73    47   0.56750  1.0 1.0
   75    72    73    47  -0.07550 -1.0 2.0
   75    72    73    47   0.20000  1.0 3.0
   75    72    73    74   0.15000  1.0 3.0
   75    72    73    40   0.56750  1.0 1.0
   75    72    73    40  -0.07550 -1.0 2.0
   75    72    73    40   0.20000  1.0 3.0
   75    72    79    80   0.15000  1.0 3.0
   75    72    79    81   0.15000  1.0 3.0
   75    72    79    82   0.15000  1.0 3.0
   79    72    73    47   0.56750  1.0 1.0
   79    72    73    47  -0.07550 -1.0 2.0
   79    72    73    47   0.20000  1.0 3.0
   79    72    73    74   0.15000  1.0 3.0
   79    72    73    40   0.56750  1.0 1.0
   79    72    73    40  -0.07550 -1.0 2.0
   79    72    73    40   0.20000  1.0 3.0
   79    72    75    76   0.15000  1.0 3.0
   79    72    75    77   0.15000  1.0 3.0
   79    72    75    78   0.15000  1.0 3.0
   62    47    55    56   0.15000  1.0 3.0
   62    47    55    57   0.15000  1.0 3.0
   62    47    55    66   0.56750  1.0 1.0
   62    47    55    66  -0.07550 -1.0 2.0
   62    47    55    66   0.20000  1.0 3.0
   62    47    73    72   0.56750  1.0 1.0
   62    47    73    72  -0.07550 -1.0 2.0
   62    47    73    72   0.20000  1.0 3.0
   62    47    73    74   0.15000  1.0 3.0
   62    47    73    40   0.56750  1.0 1.0
   62    47    73    40  -0.07550 -1.0 2.0
   62    47    73    40   0.20000  1.0 3.0
   50    42    47    55  -0.95700  1.0 1.0
   50    42    47    55  -0.18200 -1.0 2.0
   50    42    47    55   0.29450  1.0 3.0
   50    42    47    73  -0.95700  1.0 1.0
   50    42    47    73  -0.18200 -1.0 2.0
   50    42    47    73   0.29450  1.0 3.0
   50    42    47    62  -0.95700  1.0 1.0
   50    42    47    62  -0.18200 -1.0 2.0
   50    42    47    62   0.29450  1.0 3.0
   50    42    53    54   0.91850  1.0 1.0
   50    42    53    54   0.57950  1.0 3.0
   53    42    47    55   0.86500  1.0 1.0
   53    42    47    55  -0.17500 -1.0 2.0
   53    42    47    55   0.20800  1.0 3.0
   53    42    47    73   0.86500  1.0 1.0
   53    42    47    73  -0.17500 -1.0 2.0
   53    42    47    73   0.20800  1.0 3.0
   53    42    47    62   0.86500  1.0 1.0
   53    42    47    62  -0.17500 -1.0 2.0
   53    42    47    62   0.20800  1.0 3.0
   53    42    50    51   0.30150 -1.0 2.0
   53    42    50    52   0.00000  1.0 1.0
   44    38    42    47  -0.95700  1.0 1.0
   44    38    42    47  -0.18200 -1.0 2.0
   44    38    42    47   0.29450  1.0 3.0
   44    38    42    50   0.11950  1.0 1.0
   44    38    42    50   0.20300 -1.0 2.0
   44    38    42    50  -0.70800  1.0 3.0
   44    38    42    53  -0.09450  1.0 1.0
   44    38    42    53  -1.12950 -1.0 2.0
   44    38    42    53   0.54000  1.0 3.0
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    58    48    49  10.50000 -1.0 2.0
   42    52    50    51  10.50000 -1.0 2.0
   38    46    44    45  10.50000 -1.0 2.0
END
