* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    252     473
    1     0 S   NP   _N1_     1    28.63498    98.42036   -21.96431
    2     1 S   H    _HN1     2     1.02958    65.45159    -3.63529
    3     1 S   H    _H1_     3     1.02836    45.95491   149.26692
    4     1 S   H    _H2_     4     1.02777   102.84414  -108.14807
    5     1 S   CT   _CA1     5     1.50126   143.50653    87.89077
    6     5 S   HC   _HA1     6     1.09575   105.22449   101.60281
    7     5 S   CO3  _C1_     7     1.53790   112.37090   -18.59862
    8     7 S   O2Z  _O11     8     1.26364   114.99936   -43.94414
    9     7 S   O2Z  _O12     9     1.26238   114.93329   135.19539
   10     5 S   CT   _CB1    10     1.53100   107.42695  -140.48571
   11    10 S   HC   HB11    11     1.09826   109.33954   -50.63669
   12    10 S   HC   HB12    12     1.09817   110.42040    65.92051
   13    10 S   CT   _CG1    13     1.53013   112.66649  -171.71682
   14    13 S   HC   HG11    14     1.09596   110.47966   -64.08929
   15    13 S   HC   HG12    15     1.09656   109.93385    55.10835
   16    13 S   C    _CD1    16     1.51838   112.33511   175.47688
   17    16 S   O    _OE1    17     1.22744   123.30374    -0.49178
   18    16 S   N    _N2_    18     1.38565   111.68526   179.46405
   19    18 S   H    _HN2    19     1.01558   118.94067     4.91207
   20    18 S   CT1  _CA2    20     1.45827   122.92387   177.77033
   21    20 S   HC   _HA2    21     1.09721   109.07041    21.39494
   22    20 S   C    _C2_    22     1.52910   106.95641   -95.72621
   23    22 S   O    _O2_    23     1.22976   123.01022   -26.92688
   24    20 S   CT   _CB2    32     1.53284   112.13449   144.61305
   25    24 S   HC   HB21    33     1.09410   109.76862    55.00283
   26    24 S   HC   HB22    34     1.09471   109.71622   173.66064
   27    22 S   N    _N3_    24     1.38475   112.55775   156.02738
   28    27 S   H    _HN3    25     1.01656   120.37574    -2.56682
   29    24 S   S    _SG2    35     1.82880   110.88219   -66.72069
   30    27 S   CT   _CA3    26     1.45357   122.51382   178.37707
   31    30 S   HC   HA31    27     1.09567   107.87713   -54.34411
   32    30 S   HC   HA32    28     1.09560   107.56269    62.01244
   33    29 S   CT   _C20    36     1.86015   102.06472   169.82022
   34    30 S   CO3  _C3_    29     1.52895   114.28040  -176.28590
   35    34 S   O2Z  _O31    30     1.26341   116.04585     0.00000
   36    34 S   O2Z  _O32    31     1.26433   114.41668   179.96574
   37    33 S   CT   _C21    37     1.53342   110.62791    48.97496
   38    37 S   HC   _H17    38     1.09504   112.10933   -72.16678
   39    37 S   HC   _H18    39     1.09618   111.78744    49.72917
   40    37 S   HC   _H19    40     1.09488   110.74602   168.53176
   41    33 S   CT   _C22    41     1.53907   105.35200   166.63159
   42    41 S   HC   _H20    42     1.09650   111.81448    63.05362
   43    41 S   HC   _H21    43     1.09695   111.70401   -58.18954
   44    41 S   HC   _H22    44     1.09574   111.27340  -177.08503
   45    33 S   CT   _C19    45     1.54049   108.28897   -74.69474
   46    45 S   HC   _H15    46     1.09843   111.18124   -59.08260
   47    45 S   HC   _H16    47     1.09668   111.70090    58.31516
   48    45 S   CO4  _C18    48     1.51318   114.11999  -179.64834
   49    48 S   O    _O38    49     1.22328   124.11910    82.21757
   50    48 S   OS   _O37    50     1.36386   109.86571   -98.47280
   51    50 S   CT   _C11    51     1.46183   118.28843  -177.22195
   52    51 S   HC   _H5_    52     1.09716   107.28195   -32.96960
   53    51 S   CT   _C12    53     1.54580   106.59890    85.06791
   54    53 S   HC   _H6_    54     1.10247   105.95165   -35.78475
   55    51 S   CT   _C10    73     1.54279   107.30527  -149.27691
   56    53 S   CM   _C16    55     1.49244   120.53903  -152.40968
   57    55 S   CT   _C23    74     1.54177   112.40253   172.00886
   58    57 S   HC   _H23    75     1.09071   113.45858    60.52782
   59    57 S   HC   _H24    76     1.09700   110.59417   -59.61314
   60    57 S   HC   _H25    77     1.09662   111.57054  -178.06579
   61    56 S   CO4  _C15    56     1.48339   106.78521  -163.87422
   62    61 S   O    _O36    57     1.21692   127.27246  -165.92987
   63    56 S   CM   _C17    82     1.33489   131.45994    16.36194
   64    63 S   HC   _H13    83     1.08405   121.57109     0.22555
   65    63 S   HC   _H14    84     1.08554   121.44564   179.96574
   66    61 S   OS   _O35    58     1.36963   106.60891    12.37001
   67    53 S   CT   _C13    59     1.52791   120.14863    82.83186
   68    67 S   HC   _H7_    60     1.09462   112.12529   -74.05820
   69    67 S   CO4  _C14    61     1.53631   118.75426    54.87089
   70    69 S   O    _O34    62     1.23520   121.65026   104.26314
   71    69 S   CT   _C5_    63     1.52429   119.32791   -79.44750
   72    71 S   HC   _H3_    64     1.09822   106.87896   152.29860
   73    71 S   CT   _C6_    65     1.52996   112.09342    32.58457
   74    73 S   HC   _H4_    66     1.09908   107.49944   -73.96738
   75    71 S   CT   _C4_    78     1.53027   107.96280   -91.82286
   76    75 S   HC   _H8_    79     1.09563   111.32528    66.16352
   77    75 S   HC   _H9_    80     1.09584   110.82320   -53.13235
   78    75 S   HC   _H10    81     1.09405   111.48778  -172.88178
   79    73 S   CM   _C7_    67     1.50641   115.16446   169.34998
   80    79 S   HC   _H11    68     1.08229   122.89093    43.69809
   81    79 S   CM   _C8_    69     1.33406   114.65905  -141.78065
   82    81 S   HC   _H12    70     1.07538   128.71627  -176.00948
   83    81 S   CO4  _C9_    71     1.47033   105.68545     3.90043
   84    83 S   O    _O33    72     1.22224   122.64814  -172.98359
  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  13   5   4   3
  14   2   1   1  11   4   3   2   7   3   2   1   6   4   3   6
   2  10  22   8  17   8  18   9  10   4   3   2   8   3   4   1
   1   5   7   3  10   4  11   7  11   5   4   2   1   1   5   3
   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    48  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45  
   46    47    48    49    50    51  
   47    48    49    50  
   48    49    50  
   49    50    51    52    53    55  
   50    51  
   51    52    53    54    56    67    73    83    55    57  
   52    53    54    56    61    66    67    68    69    71    73    74    79    81    83    84    55    57    58    59    60    63  
   53    54    56    67    73    83    55    57  
   54    56    61    62    66    67    68    69    70    71    73    83    55    57    63    64    65  
   56    61    66    67    68    69    55    63  
   57    58    59    60    75    56    67    69    71    72    73    74    79    80    81    82    83    84  
   61    62    66    67    68    69    63    64    65  
   58    59    60    71    73    74    79    81    83    84  
   59    60    73    83  
   60    73    83  
   73    83  
   62    66    67    68    69    63    64    65  
   66    67    63  
   64    65    66    67  
   65  
    0  
   67    68    69    70    71  
   68    69    70    71    72    73    75  
   69    70    71  
   70    71    72    73    74    79    75    76    77    78  
   71    72    73    75  
   72    73    74    79    80    81    83    75    76    77    78  
   73    74    79    75    76    77    78  
   74    79    80    81    82    83    84    75    76    77    78  
   79    80    81    83    75  
   76    77    78    79  
   77    78  
   78  
    0  
   80    81    82    83    84  
   81    82    83  
   82    83    84  
   83    84  
   84  
    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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   268.000  1.529
   33    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   317.000  1.522
   48    49   570.000  1.229
   48    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    56   317.000  1.510
   53    67   268.000  1.529
   56    61   320.000  1.462
   56    63   549.000  1.340
   61    62   570.000  1.229
   61    66   214.000  1.327
   66    67   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.522
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    75   268.000  1.529
   73    74   340.000  1.090
   73    79   317.000  1.510
   73    55   268.000  1.529
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   320.000  1.462
   83    84   570.000  1.229
   83    55   317.000  1.522
   55    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   63    64   340.000  1.080
   63    65   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    37.50000  110.70000
   33    45    48    63.00000  111.10000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    48    49    80.00000  120.40000
   45    48    50    81.00000  111.40000
   47    45    46    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    35.00000  109.50000
   48    50    51    83.00000  116.90000
   50    48    49    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    55    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    56    70.00000  112.02700
   51    53    67    58.35000  112.70000
   51    55    73    58.35000  112.70000
   51    55    83    63.00000  111.10000
   51    55    57    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    56    61    65.00000  116.34900
   53    56    63    70.00000  124.00000
   53    67    66    50.00000  109.50000
   53    67    68    37.50000  110.70000
   53    67    69    63.00000  111.10000
   56    53    54    35.00000  109.50000
   56    61    62    80.00000  123.72100
   56    61    66    90.00000  111.29400
   56    63    64    35.00000  120.00000
   56    63    65    35.00000  120.00000
   61    66    67    83.00000  116.90000
   66    61    62    83.00000  123.40000
   66    67    68    35.00000  109.50000
   66    67    69    90.00000  108.74100
   67    53    54    37.50000  110.70000
   67    53    56    70.00000  112.02700
   67    69    70    80.00000  120.40000
   67    69    71    70.00000  116.00000
   69    67    68    35.00000  109.50000
   69    71    72    35.00000  109.50000
   69    71    73    63.00000  111.10000
   69    71    75    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    73    74    37.50000  110.70000
   71    73    79    70.00000  112.02700
   71    73    55    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   73    71    72    37.50000  110.70000
   73    79    80    35.00000  117.00000
   73    79    81    70.00000  124.00000
   73    55    83    63.00000  111.10000
   73    55    57    58.35000  112.70000
   79    73    74    35.00000  109.50000
   79    81    82    35.00000  120.00000
   79    81    83    65.00000  118.96000
   81    79    80    35.00000  120.00000
   81    83    84    80.00000  123.72100
   81    83    55    65.00000  118.62400
   83    81    82    40.00000  117.72500
   83    55    57    63.00000  111.10000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    73    74    37.50000  110.70000
   55    73    79    70.00000  112.02700
   55    83    84    80.00000  120.40000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    60    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    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
   63    56    61    65.00000  118.96000
   65    63    64    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.15000  1.0 3.0
   29    33    45    48   0.56750  1.0 1.0
   29    33    45    48  -0.07550 -1.0 2.0
   29    33    45    48   0.20000  1.0 3.0
   33    45    48    49   0.30150 -1.0 2.0
   33    45    48    50   0.36750  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    33    45    46   0.15000  1.0 3.0
   37    33    45    47   0.15000  1.0 3.0
   37    33    45    48  -0.95700  1.0 1.0
   37    33    45    48  -0.18200 -1.0 2.0
   37    33    45    48   0.29450  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    45    46   0.15000  1.0 3.0
   41    33    45    47   0.15000  1.0 3.0
   41    33    45    48  -0.95700  1.0 1.0
   41    33    45    48  -0.18200 -1.0 2.0
   41    33    45    48   0.29450  1.0 3.0
   45    33    37    38   0.15000  1.0 3.0
   45    33    37    39   0.15000  1.0 3.0
   45    33    37    40   0.15000  1.0 3.0
   45    33    41    42   0.15000  1.0 3.0
   45    33    41    43   0.15000  1.0 3.0
   45    33    41    44   0.15000  1.0 3.0
   45    48    50    51   1.63150  1.0 1.0
   45    48    50    51   2.92000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   47    45    48    49   0.00000  1.0 1.0
   47    45    48    50   0.00000  1.0 1.0
   48    50    51    52   0.08050  1.0 3.0
   48    50    51    53  -0.25900  1.0 1.0
   48    50    51    53  -0.47000 -1.0 2.0
   48    50    51    53   0.11750  1.0 3.0
   48    50    51    55  -0.25900  1.0 1.0
   48    50    51    55  -0.47000 -1.0 2.0
   48    50    51    55   0.11750  1.0 3.0
   49    48    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    56   0.61850  1.0 1.0
   50    51    53    56  -0.22750 -1.0 2.0
   50    51    53    56   0.15300  1.0 3.0
   50    51    53    67   0.62750  1.0 1.0
   50    51    53    67  -0.30950 -1.0 2.0
   50    51    53    67   0.27300  1.0 3.0
   50    51    55    73   0.62750  1.0 1.0
   50    51    55    73  -0.30950 -1.0 2.0
   50    51    55    73   0.27300  1.0 3.0
   50    51    55    83  -0.09450  1.0 1.0
   50    51    55    83  -1.12950 -1.0 2.0
   50    51    55    83   0.54000  1.0 3.0
   50    51    55    57   0.62750  1.0 1.0
   50    51    55    57  -0.30950 -1.0 2.0
   50    51    55    57   0.27300  1.0 3.0
   51    53    56    61   0.09700  1.0 1.0
   51    53    56    61   0.15600 -1.0 2.0
   51    53    56    61  -0.50800  1.0 3.0
   51    53    56    63   0.09850  1.0 1.0
   51    53    56    63   0.15250 -1.0 2.0
   51    53    56    63  -0.50650  1.0 3.0
   51    53    67    66   0.62750  1.0 1.0
   51    53    67    66  -0.30950 -1.0 2.0
   51    53    67    66   0.27300  1.0 3.0
   51    53    67    68   0.15000  1.0 3.0
   51    53    67    69  -0.95700  1.0 1.0
   51    53    67    69  -0.18200 -1.0 2.0
   51    53    67    69   0.29450  1.0 3.0
   51    55    57    58   0.15000  1.0 3.0
   51    55    57    59   0.15000  1.0 3.0
   51    55    57    60   0.15000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    67   0.15000  1.0 3.0
   52    51    55    73   0.15000  1.0 3.0
   52    51    55    83  -0.11250  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   53    51    55    73   0.56750  1.0 1.0
   53    51    55    73  -0.07550 -1.0 2.0
   53    51    55    73   0.20000  1.0 3.0
   53    51    55    83  -0.95700  1.0 1.0
   53    51    55    83  -0.18200 -1.0 2.0
   53    51    55    83   0.29450  1.0 3.0
   53    51    55    57   0.56750  1.0 1.0
   53    51    55    57  -0.07550 -1.0 2.0
   53    51    55    57   0.20000  1.0 3.0
   53    56    61    62  -0.64400  1.0 1.0
   53    56    61    62   0.26850 -1.0 2.0
   53    56   -61    66  -0.15000  1.0 1.0
   53    56   -61    66   0.89550 -1.0 2.0
   53    56   -61    66  -0.06900  1.0 3.0
   53    56    63    64   7.00000 -1.0 2.0
   53    56    63    65   7.00000 -1.0 2.0
   53    67    69    70   0.30150 -1.0 2.0
   53    67    69    71   0.60050  1.0 1.0
   53    67    69    71   0.05600 -1.0 2.0
   53    67    69    71   0.26150  1.0 3.0
   54    53    56    61   0.15000  1.0 3.0
   54    53    56    63   0.00000  1.0 1.0
   54    53    67    66   0.23400  1.0 3.0
   54    53    67    68   0.15000  1.0 3.0
   54    53    67    69  -0.11250  1.0 3.0
   56    53   -67    66   0.61850  1.0 1.0
   56    53   -67    66  -0.22750 -1.0 2.0
   56    53   -67    66   0.15300  1.0 3.0
   56    53    67    68   0.15000  1.0 3.0
   56    53    67    69  -0.98800  1.0 1.0
   56    53    67    69   0.48800 -1.0 2.0
   56    53    67    69   0.76800  1.0 3.0
   56    61   -66    67   2.00000 -1.0 2.0
   61    56    63    64   7.00000 -1.0 2.0
   61    56    63    65   7.00000 -1.0 2.0
   61    66   -67    53  -0.25900  1.0 1.0
   61    66   -67    53  -0.47000 -1.0 2.0
   61    66   -67    53   0.11750  1.0 3.0
   61    66    67    68   0.08050  1.0 3.0
   61    66    67    69  -1.80650  1.0 1.0
   61    66    67    69   0.63900 -1.0 2.0
   61    66    67    69   0.03650  1.0 3.0
   62    61    66    67   3.00000 -1.0 2.0
   66    67    69    70   0.30150 -1.0 2.0
   66    67    69    71   0.55300  1.0 1.0
   66    67    69    71   1.25850 -1.0 2.0
   66    67    69    71  -0.23600  1.0 3.0
   67    53   -56    61   0.09700  1.0 1.0
   67    53   -56    61   0.15600 -1.0 2.0
   67    53   -56    61  -0.50800  1.0 3.0
   67    53    56    63   0.09850  1.0 1.0
   67    53    56    63   0.15250 -1.0 2.0
   67    53    56    63  -0.50650  1.0 3.0
   67    69    71    72   0.00000  1.0 1.0
   67    69    71    73   0.60050  1.0 1.0
   67    69    71    73   0.05600 -1.0 2.0
   67    69    71    73   0.26150  1.0 3.0
   67    69    71    75   0.60050  1.0 1.0
   67    69    71    75   0.05600 -1.0 2.0
   67    69    71    75   0.26150  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.00000  1.0 1.0
   69    71    73    74  -0.11250  1.0 3.0
   69    71    73    79  -0.98800  1.0 1.0
   69    71    73    79   0.48800 -1.0 2.0
   69    71    73    79   0.76800  1.0 3.0
   69    71    73    55  -0.95700  1.0 1.0
   69    71    73    55  -0.18200 -1.0 2.0
   69    71    73    55   0.29450  1.0 3.0
   69    71    75    76  -0.11250  1.0 3.0
   69    71    75    77  -0.11250  1.0 3.0
   69    71    75    78  -0.11250  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.30150 -1.0 2.0
   70    69    71    75   0.30150 -1.0 2.0
   71    73    79    80   0.00000  1.0 1.0
   71    73    79    81   0.09850  1.0 1.0
   71    73    79    81   0.15250 -1.0 2.0
   71    73    79    81  -0.50650  1.0 3.0
   71    73    55    51   0.56750  1.0 1.0
   71    73    55    51  -0.07550 -1.0 2.0
   71    73    55    51   0.20000  1.0 3.0
   71    73    55    83  -0.95700  1.0 1.0
   71    73    55    83  -0.18200 -1.0 2.0
   71    73    55    83   0.29450  1.0 3.0
   71    73    55    57   0.56750  1.0 1.0
   71    73    55    57  -0.07550 -1.0 2.0
   71    73    55    57   0.20000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    79   0.15000  1.0 3.0
   72    71    73    55   0.15000  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.15000  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.15000  1.0 3.0
   73    79    81    82   7.00000 -1.0 2.0
   73    79   -81    83   7.00000 -1.0 2.0
   73    55    57    58   0.15000  1.0 3.0
   73    55    57    59   0.15000  1.0 3.0
   73    55    57    60   0.15000  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.00000  1.0 1.0
   74    73    55    51   0.15000  1.0 3.0
   74    73    55    83  -0.11250  1.0 3.0
   74    73    55    57   0.15000  1.0 3.0
   79    73    55    51   0.34400  1.0 1.0
   79    73    55    51   0.09450 -1.0 2.0
   79    73    55    51   0.11100  1.0 3.0
   79    73   -55    83  -0.98800  1.0 1.0
   79    73   -55    83   0.48800 -1.0 2.0
   79    73   -55    83   0.76800  1.0 3.0
   79    73    55    57   0.34400  1.0 1.0
   79    73    55    57   0.09450 -1.0 2.0
   79    73    55    57   0.11100  1.0 3.0
   79    81    83    84   1.00000 -1.0 2.0
   79    81   -83    55  -0.33500  1.0 1.0
   79    81   -83    55   1.06600 -1.0 2.0
   79    81   -83    55  -0.14000  1.0 3.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   81    83    55    51   0.65300  1.0 1.0
   81    83    55    51  -0.03850 -1.0 2.0
   81    83    55    51   0.33900  1.0 3.0
   81    83   -55    73   0.65300  1.0 1.0
   81    83   -55    73  -0.03850 -1.0 2.0
   81    83   -55    73   0.33900  1.0 3.0
   81    83    55    57   0.65300  1.0 1.0
   81    83    55    57  -0.03850 -1.0 2.0
   81    83    55    57   0.33900  1.0 3.0
   82    81    83    84   0.00000  1.0 1.0
   82    81    83    55   0.04550  1.0 1.0
   82    81    83    55   0.83000 -1.0 2.0
   82    81    83    55  -0.04000  1.0 3.0
   83    55    57    58  -0.11250  1.0 3.0
   83    55    57    59  -0.11250  1.0 3.0
   83    55    57    60  -0.11250  1.0 3.0
   84    83    55    51   0.30150 -1.0 2.0
   84    83    55    73   0.30150 -1.0 2.0
   84    83    55    57   0.30150 -1.0 2.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    56   0.34400  1.0 1.0
   55    51    53    56   0.09450 -1.0 2.0
   55    51    53    56   0.11100  1.0 3.0
   55    51    53    67   0.56750  1.0 1.0
   55    51    53    67  -0.07550 -1.0 2.0
   55    51    53    67   0.20000  1.0 3.0
   55    73    79    80   0.00000  1.0 1.0
   55    73   -79    81   0.09850  1.0 1.0
   55    73   -79    81   0.15250 -1.0 2.0
   55    73   -79    81  -0.50650  1.0 3.0
   75    71    73    74   0.15000  1.0 3.0
   75    71    73    79   0.34400  1.0 1.0
   75    71    73    79   0.09450 -1.0 2.0
   75    71    73    79   0.11100  1.0 3.0
   75    71    73    55   0.56750  1.0 1.0
   75    71    73    55  -0.07550 -1.0 2.0
   75    71    73    55   0.20000  1.0 3.0
   63    56    61    62   1.00000 -1.0 2.0
   63    56    61    66  -0.56150  1.0 1.0
   63    56    61    66   2.19150 -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
   45    50    48    49  10.50000 -1.0 2.0
   53    61    56    63   1.10000 -1.0 2.0
   56    66    61    62  10.50000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
   73    80    79    81   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   81    55    83    84  10.50000 -1.0 2.0
   64    65    63    56   1.10000 -1.0 2.0
END
