* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    237     451
    1     0 S   NP   _N1_     1    28.69215    93.62960   -25.40479
    2     1 S   H    _HN1     2     1.02814   101.46798  -133.45153
    3     1 S   H    _H1_     3     1.02945   102.53705   -21.62207
    4     1 S   H    _H2_     4     1.02841    10.01109    96.88240
    5     1 S   CT   _CA1     5     1.50154   120.81889   101.88141
    6     5 S   HC   _HA1     6     1.09566   105.16881    58.40031
    7     5 S   CO3  _C1_     7     1.53732   112.50016   -61.85119
    8     7 S   O2Z  _O11     8     1.26477   115.25668   -42.08513
    9     7 S   O2Z  _O12     9     1.26197   115.21314   136.88365
   10     5 S   CT   _CB1    10     1.53081   107.40603   176.43872
   11    10 S   HC   HB11    11     1.09831   109.52026   -47.92049
   12    10 S   HC   HB12    12     1.09815   110.36010    68.71298
   13    10 S   CT   _CG1    13     1.53020   112.63705  -168.84304
   14    13 S   HC   HG11    14     1.09598   110.59195   -63.57218
   15    13 S   HC   HG12    15     1.09654   109.85212    55.64485
   16    13 S   C    _CD1    16     1.51860   112.19372   176.19563
   17    16 S   O    _OE1    17     1.22749   123.24776     5.24949
   18    16 S   N    _N2_    18     1.38501   111.75081  -175.35696
   19    18 S   H    _HN2    19     1.01545   119.12803     4.97508
   20    18 S   CT1  _CA2    20     1.45943   122.95732  -179.88131
   21    20 S   HC   _HA2    21     1.09732   108.85339    24.91325
   22    20 S   C    _C2_    22     1.52886   107.08633   -92.31725
   23    22 S   O    _O2_    23     1.22984   123.01233   -27.09146
   24    20 S   CT   _CB2    32     1.53476   112.07286   147.90534
   25    24 S   HC   HB21    33     1.09358   109.04875    57.03614
   26    24 S   HC   HB22    34     1.09342   109.84584   175.82172
   27    22 S   N    _N3_    24     1.38482   112.60020   155.69597
   28    27 S   H    _HN3    25     1.01665   120.36611    -2.21302
   29    24 S   S    _SG2    35     1.82547   110.27183   -63.52938
   30    27 S   CT   _CA3    26     1.45357   122.43033   178.60324
   31    30 S   HC   HA31    27     1.09568   107.76361   -56.51795
   32    30 S   HC   HA32    28     1.09564   107.64357    59.79882
   33    29 S   CT   _C10    36     1.89289   103.17749   178.97626
   34    30 S   CO3  _C3_    29     1.52876   114.36616  -178.42641
   35    34 S   O2Z  _O31    30     1.26327   116.06582    -0.84904
   36    34 S   O2Z  _O32    31     1.26435   114.40523   179.12531
   37    33 S   CM   _C8_    37     1.54818   104.65047  -173.92930
   38    33 S   CT   _C12    78     1.54953   108.14267    66.42099
   39    38 S   HC   _H10    79     1.09660   112.06727    56.83164
   40    38 S   HC   _H11    80     1.09598   110.58014   -63.95842
   41    37 S   N4   _N4_    38     1.36390   118.29149    87.41191
   42    37 S   CMA  _C9_    75     1.52832   120.97707   -82.52332
   43    42 S   OM   _O35    76     1.26359   119.70635  -106.08949
   44    42 S   OM   _O36    77     1.26271   121.58003    74.37398
   45    38 S   OS   _O37    81     1.44278   109.71870   178.08296
   46    41 S   C4   _C7_    39     1.35309   137.38749  -158.55808
   47    46 S   O    _O34    40     1.20884   134.05940     0.42197
   48    41 S   C4T  _C6_    42     1.44974   124.88747    36.20803
   49    48 S   HC   _H3_    43     1.09825   111.84047    72.42829
   50    45 S   CO4  _C13    82     1.36020   116.02209  -178.49416
   51    50 S   O    _O38    83     1.22526   125.67232    -2.91813
   52    46 S   C4T  _C5_    41     1.58875    89.41810   176.41543
   53    48 S   S    _S1_    44     1.80952   111.48262   -55.07921
   54    50 S   N    _N5_    84     1.36873   110.14277   177.37140
   55    54 S   H    _H12    85     1.01281   121.08930  -179.59074
   56    54 S   H    _H13    86     1.01328   120.76031    -1.61810
   57    33 S   CT   _C11    45     1.55547   111.06064   -52.55144
   58    57 S   HC   _H8_    46     1.09368   111.95897    60.22714
   59    57 S   HC   _H9_    47     1.09725   110.17182   177.17098
   60    52 S   N    _N6_    48     1.49263   111.69255   -99.61333
   61    60 S   H    _H14    49     1.01704   118.31966   105.90957
   62    52 S   OS   _O33    70     1.45038   111.83018   128.87885
   63    60 S   C    _C14    50     1.38640   123.52816   -72.16685
   64    63 S   O    _O39    51     1.22673   124.84708    -2.59857
   65    62 S   CT   _C4_    71     1.42018   116.41815  -167.26075
   66    65 S   HC   _H5_    72     1.09305   108.42873   177.14323
   67    65 S   HC   _H6_    73     1.09341   110.48653    58.06049
   68    65 S   HC   _H7_    74     1.09342   110.39437   -63.88405
   69    63 S   CT   _C15    52     1.51888   111.68762   179.21715
   70    69 S   HC   _H15    53     1.09694   106.73893    75.03284
   71    69 S   HC   _H16    54     1.09653   109.62884   -40.93835
   72    69 S   CT   _C16    55     1.52863   113.90581  -164.68340
   73    72 S   HC   _H17    56     1.09588   110.21574   -50.41407
   74    72 S   HC   _H18    57     1.09535   107.62732  -166.66859
   75    72 S   CT   _C17    58     1.53595   112.03423    72.62812
   76    75 S   HC   _H19    59     1.09798   109.07958    53.44952
   77    75 S   HC   _H20    60     1.09681   109.20800   -61.87095
   78    75 S   CT   _C18    61     1.53342   114.36028   175.66510
   79    78 S   HC   _H4_    62     1.09699   108.22658  -178.69989
   80    78 S   CO3  _C19    63     1.54102   114.47198    63.00187
   81    80 S   O2Z  _O41    64     1.26185   115.72662    43.04618
   82    80 S   O2Z  _O40    65     1.26493   114.81152  -138.07422
   83    78 S   NP   _N7_    66     1.49909   108.92500   -65.81832
   84    83 S   H    _H21    67     1.03315   112.44593   -52.40379
   85    83 S   H    _H22    68     1.02807   110.27803  -172.84492
   86    83 S   H    _H23    69     1.02746   111.53027    68.87064
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  17  12   4   3  12   5   1   1   6  10   4  11
   5   4   3  12   5   2   1   1   2   1   1   9   4   5   8   4
   3   2   1   1   9   5   4   9   5   4  11   5   4   8   7   6
   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    57    58    59    42    38    39    40    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    46    48    53    57    58    59    42    43    44    38    39    40    45    50  
   35    36  
   36  
    0  
   41    46    47    52    48    49    53    57    58    59    42    43    44    38    39    40    45  
   39    40    45    50    51    54    41    42    53    57    58    59  
   40    45    50    57  
   45    50    57  
   46    47    52    48    49    53    57    60    62    42    43    44  
   43    44    46    48    57  
   44  
    0  
   50    51    54    55    56    57  
   47    52    48    49    53    60    61    63    62    65  
   52    48    60    62  
   49    53    57    58    59    60    61    63    62    65    52  
   53    57    60    62    52  
   51    54    55    56  
   54    55    56  
   53    57    60    61    63    64    69    62    65    66    67    68  
   57    58    59    60    62  
   55    56  
   56  
    0  
   58    59  
   59  
    0  
   61    63    64    69    70    71    72    62    65  
   63    64    69    62  
   65    66    67    68    63  
   64    69    70    71    72    73    74    75  
   69    70    71    72  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    83  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84    85    86  
   77    78    79    80    83  
   78    79    80    83  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83    84    85    86  
   82    83  
   83  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660   0.366500   1.9750   1.7500   0.005000000  -0.741685710
   53   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   54   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   56   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.2500   0.1700  -0.466500   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   81   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   82   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   83   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   84   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   85   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   86   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   268.000  1.529
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    46   440.000  1.369
   41    48   305.000  1.456
   46    47   930.000  1.212
   46    52   250.000  1.540
   52    48   268.000  1.529
   52    60   337.000  1.449
   52    62   320.000  1.410
   48    49   340.000  1.090
   48    53   200.000  1.824
   53    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    63   490.000  1.335
   63    64   570.000  1.229
   63    69   317.000  1.522
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   317.000  1.522
   78    83   367.000  1.471
   80    81   656.000  1.250
   80    82   656.000  1.250
   83    84   434.000  1.010
   83    85   434.000  1.010
   83    86   434.000  1.010
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   745.000  1.250
   42    44   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    45   320.000  1.410
   45    50   214.000  1.327
   50    51   570.000  1.229
   50    54   435.000  1.380
   54    55   434.000  1.010
   54    56   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    57    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    57    53    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    45    50.00000  109.50000
   37    41    46    50.00000  132.10000
   37    41    48    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  137.10300
   41    46    47    75.00000  131.60000
   41    46    52    95.00000   92.72400
   41    48    52   105.00000   87.49700
   41    48    49    50.00000  112.01000
   41    48    53    80.00000  108.62000
   46    52    48   100.00000   86.36000
   46    52    60    75.00000  110.24000
   46    52    62    90.00000  108.55600
   52    46    47    60.00000  136.58000
   52    48    49    37.50000  110.70000
   52    48    53    65.00000  119.05700
   52    60    61    38.00000  118.40000
   52    60    63    50.00000  121.90000
   52    62    65    60.00000  109.50000
   48    41    46   100.00000   93.00000
   48    53    57    85.00000   99.86700
   53    48    49    45.00000  109.41400
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    52    48    80.00000  110.05700
   60    63    64    80.00000  122.90000
   60    63    69    70.00000  116.60000
   63    60    61    35.00000  119.80000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    63.00000  111.10000
   69    63    64    80.00000  120.40000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    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    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    70.00000  109.69300
   75    78    83    80.00000  111.20000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    80    81    70.00000  117.00000
   78    80    82    70.00000  117.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   80    78    79    35.00000  109.50000
   82    80    81    80.00000  126.00000
   83    78    79    35.00000  109.50000
   83    78    80    80.00000  109.26000
   85    83    84    35.00000  109.50000
   86    83    84    35.00000  109.50000
   86    83    85    35.00000  109.50000
   62    52    48    50.00000  109.50000
   62    52    60    95.00000  111.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    37    41    75.00000  120.83300
   44    42    43    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    57    58.35000  112.70000
   38    45    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   45    38    39    35.00000  109.50000
   45    38    40    35.00000  109.50000
   45    50    51    83.00000  123.40000
   45    50    54   110.00000  108.75700
   50    54    55    50.00000  116.34900
   50    54    56    50.00000  116.34900
   54    50    51    85.00000  125.96000
   56    54    55    35.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    45   0.56750  1.0 1.0
   29    33    38    45  -0.07550 -1.0 2.0
   29    33    38    45   0.20000  1.0 3.0
   33    37    41    46   0.00000  1.0 1.0
   33    37    41    48   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    38    45    50  -0.25900  1.0 1.0
   33    38    45    50  -0.47000 -1.0 2.0
   33    38    45    50   0.11750  1.0 3.0
   37    33    57    53   0.56750  1.0 1.0
   37    33    57    53  -0.07550 -1.0 2.0
   37    33    57    53   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    45   0.61850  1.0 1.0
   37    33    38    45  -0.22750 -1.0 2.0
   37    33    38    45   0.15300  1.0 3.0
   37    41    46    47   3.00000 -1.0 2.0
   37    41    46    52   3.00000 -1.0 2.0
   37    41   -48    52   0.00000  1.0 1.0
   37    41    48    49   0.00000  1.0 1.0
   37    41   -48    53   0.00000  1.0 1.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    44   7.00000 -1.0 2.0
   41    46   -52    48   3.00000 -1.0 2.0
   41    46    52    60   0.00000  1.0 1.0
   41    46    52    62   0.00000  1.0 1.0
   41    48    53    57   0.01700  1.0 1.0
   41    48    53    57  -0.23550 -1.0 2.0
   41    48    53    57   0.21350  1.0 3.0
   46    41   -48    52   0.00000  1.0 1.0
   46    41    48    49   0.00000  1.0 1.0
   46    41    48    53   0.00000  1.0 1.0
   46    52   -48    41   3.00000 -1.0 2.0
   46    52   -48    49   0.15000  1.0 3.0
   46    52   -48    53   0.00000  1.0 1.0
   46    52    60    61   0.00000  1.0 1.0
   46    52    60    63  -0.42300  1.0 1.0
   46    52    60    63  -0.07000 -1.0 2.0
   46    52    60    63   0.04150  1.0 3.0
   46    52    62    65  -1.11000  1.0 1.0
   46    52    62    65   0.50250 -1.0 2.0
   46    52    62    65   0.47450  1.0 3.0
   47    46    52    48  -0.11250  1.0 1.0
   47    46    52    48   0.11400 -1.0 2.0
   47    46    52    48  -0.28950  1.0 3.0
   47    46    52    60   0.30150 -1.0 2.0
   47    46    52    62   0.30150 -1.0 2.0
   52    48    53    57   0.25150  1.0 1.0
   52    48    53    57  -1.17200 -1.0 2.0
   52    48    53    57   0.53050  1.0 3.0
   52    60    63    64   3.04450 -1.0 2.0
   52    60    63    69   1.49850  1.0 1.0
   52    60    63    69   1.53950 -1.0 2.0
   52    62    65    66   0.37050  1.0 3.0
   52    62    65    67   0.37050  1.0 3.0
   52    62    65    68   0.37050  1.0 3.0
   48    41   -46    47   3.00000 -1.0 2.0
   48    41   -46    52   3.00000 -1.0 2.0
   48    52    60    61   0.00000  1.0 1.0
   48    52    60    63  -0.43950  1.0 1.0
   48    52    60    63  -0.08100 -1.0 2.0
   48    52    60    63   0.03350  1.0 3.0
   48    52    62    65   0.06250  1.0 1.0
   48    52    62    65  -0.01100 -1.0 2.0
   48    52    62    65   0.28050  1.0 3.0
   48    53   -57    33  -0.25000 -1.0 2.0
   48    53   -57    33  -0.01800  1.0 3.0
   48    53    57    58   0.32350  1.0 3.0
   48    53    57    59   0.32350  1.0 3.0
   49    48    53    57   0.00000  1.0 1.0
   57    33   -37    41  -0.93550  1.0 1.0
   57    33   -37    41   0.38900 -1.0 2.0
   57    33   -37    41   0.16950  1.0 3.0
   57    33    37    42   0.09850  1.0 1.0
   57    33    37    42   0.15250 -1.0 2.0
   57    33    37    42  -0.50650  1.0 3.0
   57    33    38    39   0.15000  1.0 3.0
   57    33    38    40   0.15000  1.0 3.0
   57    33    38    45   0.62750  1.0 1.0
   57    33    38    45  -0.30950 -1.0 2.0
   57    33    38    45   0.27300  1.0 3.0
   60    52   -48    41   2.20050  1.0 1.0
   60    52   -48    41   0.63450 -1.0 2.0
   60    52   -48    41  -0.91300  1.0 3.0
   60    52    48    49   0.15000  1.0 3.0
   60    52    48    53   0.00000  1.0 1.0
   60    52    62    65  -2.37750  1.0 1.0
   60    52    62    65  -0.08150 -1.0 2.0
   60    52    62    65   0.59000  1.0 3.0
   60    63    69    70   0.00000  1.0 1.0
   60    63    69    71   0.00000  1.0 1.0
   60    63    69    72   1.39750  1.0 1.0
   60    63    69    72  -0.07950 -1.0 2.0
   60    63    69    72  -0.18750  1.0 3.0
   61    60    63    64   2.45000 -1.0 2.0
   61    60    63    69   2.45000 -1.0 2.0
   63    69    72    73  -0.11250  1.0 3.0
   63    69    72    74  -0.11250  1.0 3.0
   63    69    72    75  -0.95700  1.0 1.0
   63    69    72    75  -0.18200 -1.0 2.0
   63    69    72    75   0.29450  1.0 3.0
   64    63    69    70   0.00000  1.0 1.0
   64    63    69    71   0.00000  1.0 1.0
   64    63    69    72   0.30150 -1.0 2.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.56750  1.0 1.0
   69    72    75    78  -0.07550 -1.0 2.0
   69    72    75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80  -1.63150  1.0 1.0
   72    75    78    80  -0.43550 -1.0 2.0
   72    75    78    80   0.24500  1.0 3.0
   72    75    78    83   1.36600  1.0 1.0
   72    75    78    83  -0.11450 -1.0 2.0
   72    75    78    83   0.24250  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
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    80    81   0.41150 -1.0 2.0
   75    78    80    82   0.41150 -1.0 2.0
   75    78    83    84   0.17350  1.0 3.0
   75    78    83    85   0.17350  1.0 3.0
   75    78    83    86   0.17350  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80  -0.11250  1.0 3.0
   76    75    78    83   0.19200  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80  -0.11250  1.0 3.0
   77    75    78    83   0.19200  1.0 3.0
   79    78    80    81   0.00000  1.0 1.0
   79    78    80    82   0.00000  1.0 1.0
   79    78    83    84   0.13050  1.0 3.0
   79    78    83    85   0.13050  1.0 3.0
   79    78    83    86   0.13050  1.0 3.0
   80    78    83    84   0.17350  1.0 3.0
   80    78    83    85   0.17350  1.0 3.0
   80    78    83    86   0.17350  1.0 3.0
   83    78    80    81   0.30150 -1.0 2.0
   83    78    80    82   0.30150 -1.0 2.0
   62    52   -48    41   1.12100  1.0 1.0
   62    52   -48    41  -0.16500 -1.0 2.0
   62    52    48    49   0.15000  1.0 3.0
   62    52    48    53   0.00000  1.0 1.0
   62    52    60    61   0.00000  1.0 1.0
   62    52    60    63  -2.75650  1.0 1.0
   62    52    60    63  -1.18150 -1.0 2.0
   62    52    60    63   0.81900  1.0 3.0
   42    37    41    46   0.00000  1.0 1.0
   42    37    41    48   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    57    53   0.44750  1.0 1.0
   38    33    57    53  -0.17800 -1.0 2.0
   38    33    57    53   0.20200  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    45    50    51   3.00000 -1.0 2.0
   38    45    50    54  -0.80800  1.0 1.0
   38    45    50    54   2.06850 -1.0 2.0
   39    38    45    50   0.08050  1.0 3.0
   40    38    45    50   0.08050  1.0 3.0
   45    50    54    55   2.56700 -1.0 2.0
   45    50    54    56   2.56700 -1.0 2.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    56   2.45000 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    42   1.10000 -1.0 2.0
   48    46    41    37   1.00000 -1.0 2.0
   41    52    46    47  10.50000 -1.0 2.0
   61    63    60    52   1.00000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
   81    78    80    82  10.50000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   45    54    50    51  10.50000 -1.0 2.0
   56    50    54    55   1.00000 -1.0 2.0
END
