* LIGAND DATABASE FILE (OPLS2005)
*
001      81    83    155    240     452
    1     0 S   NP   _N1_     1    28.74612    94.96175   -22.06520
    2     1 S   H    _HN1     2     1.02780    95.47457   -84.75182
    3     1 S   H    _H1_     3     1.02953    83.01528    23.14831
    4     1 S   H    _H2_     4     1.02829    32.82728   160.34173
    5     1 S   CT   _CA1     5     1.50127   141.95032   137.53328
    6     5 S   HC   _HA1     6     1.09564   105.21345    72.21260
    7     5 S   CO3  _C1_     7     1.53800   112.52832   -48.06438
    8     7 S   O2Z  _O11     8     1.26377   114.99963   -38.73354
    9     7 S   O2Z  _O12     9     1.26236   115.02812   140.62132
   10     5 S   CT   _CB1    10     1.53102   107.43131  -169.64210
   11    10 S   HC   HB11    11     1.09826   109.46779   -48.25268
   12    10 S   HC   HB12    12     1.09819   110.37041    68.37985
   13    10 S   CT   _CG1    13     1.52981   112.64373  -169.22013
   14    13 S   HC   HG11    14     1.09555   110.61459   -63.62694
   15    13 S   HC   HG12    15     1.09662   109.88262    55.58664
   16    13 S   C    _CD1    16     1.51784   112.33260   175.97333
   17    16 S   O    _OE1    17     1.22713   123.31958     1.27917
   18    16 S   N    _N2_    18     1.38618   111.55640  -178.77108
   19    18 S   H    _HN2    19     1.01586   118.95751     1.64080
   20    18 S   CT1  _CA2    20     1.46260   123.46157   179.33648
   21    20 S   HC   _HA2    21     1.09736   109.40373    -6.10406
   22    20 S   C    _C2_    22     1.53415   108.41028  -121.61341
   23    22 S   O    _O2_    23     1.23029   122.39160  -147.99256
   24    20 S   CT   _CB2    32     1.53382   111.31571   115.99586
   25    24 S   HC   HB21    33     1.09535   109.56960    55.67995
   26    24 S   HC   HB22    34     1.09441   110.29196   174.57465
   27    22 S   N    _N3_    24     1.38369   113.49790    39.50072
   28    27 S   H    _HN3    25     1.01629   119.50702    -3.51541
   29    24 S   S    _SG2    35     1.82843   111.02137   -66.10830
   30    27 S   CT   _CA3    26     1.45282   123.14007   176.99332
   31    30 S   HC   HA31    27     1.09552   107.52451   -63.94200
   32    30 S   HC   HA32    28     1.09559   107.95272    52.46896
   33    29 S   CT   _C13    36     1.86064   100.87125   151.75117
   34    33 S   HC   _H5_    37     1.09023   103.05984   -35.97299
   35    30 S   CO3  _C3_    29     1.52935   114.12999   174.45808
   36    35 S   O2Z  _O31    30     1.26369   116.06891    -0.68700
   37    35 S   O2Z  _O32    31     1.26432   114.40865   179.36913
   38    33 S   CT   _C14    38     1.55940   110.72479  -151.08806
   39    38 S   HC   _H6_    39     1.08535   108.90954  -160.08915
   40    33 S   CT   _C12    63     1.56593   113.97784    79.24284
   41    38 S   CT   _C15    40     1.53636   114.17997    78.20340
   42    41 S   HC   _H7_    41     1.09649   111.83879     9.52279
   43    40 S   CT   _C19    64     1.53912   112.60065    57.11316
   44    43 S   HC   _H19    65     1.09439   111.97751   -61.50128
   45    43 S   HC   _H20    66     1.09680   110.65699  -178.68419
   46    43 S   HC   _H21    67     1.09380   111.89044    61.11863
   47    40 S   OH   _O38    68     1.43670   107.68516   -61.21107
   48    47 S   HO   _H22    69     0.97261   108.30671   175.48191
   49    41 S   CM   _C16    42     1.49374   100.29900  -107.36048
   50    41 S   CT   _C6_    49     1.55450   114.67849   133.52367
   51    50 S   HC   _H3_    50     1.09945   106.97512   162.76710
   52    49 S   CO4  _C18    43     1.47353   110.05853   -16.68389
   53    52 S   O    _O36    44     1.21753   126.99893  -170.59166
   54    49 S   CM   _C17    46     1.33569   127.92927   161.13254
   55    54 S   HC   _H17    47     1.08521   120.78572     1.27257
   56    54 S   HC   _H18    48     1.08510   121.91105  -178.70941
   57    50 S   CT   _C7_    51     1.54693   114.67817   -79.73734
   58    57 S   HC   _H11    52     1.09714   108.93065  -175.05636
   59    57 S   HC   _H12    53     1.09802   108.03328   -60.42809
   60    50 S   OS   _O34    75     1.44468   109.79737    45.45663
   61    38 S   OS   _O37    45     1.44100   112.68390   -44.74938
   62    57 S   C3T  _C8_    54     1.51402   116.41270    63.31250
   63    60 S   CO4  _C5_    76     1.36224   117.88309   150.35365
   64    63 S   O    _O33    77     1.22285   126.49931     0.72443
   65    62 S   C3T  _C9_    55     1.52587   117.92446   -91.02796
   66    65 S   HC   _H4_    56     1.08116   119.77680     0.72172
   67    62 S   CT   _C20    71     1.50247   117.31365    73.74216
   68    67 S   HC   _H23    72     1.09494   112.08224   164.86881
   69    67 S   HC   _H24    73     1.09511   110.42894    45.43557
   70    67 S   HC   _H25    74     1.09271   111.40049   -74.63541
   71    63 S   CT   _C4_    78     1.49828   109.38532  -179.59074
   72    71 S   HC   _H8_    79     1.09287   109.79742   -62.45379
   73    71 S   HC   _H9_    80     1.09375   109.37120   178.40174
   74    71 S   HC   _H10    81     1.09300   109.83109    59.42711
   75    65 S   CT   _C10    57     1.49668   124.43110   158.17122
   76    75 S   HC   _H13    58     1.09641   108.74492   170.37128
   77    75 S   HC   _H14    59     1.09749   109.35403    55.50011
   78    62 S   O3T  _O35    70     1.44182   113.18813  -155.44496
   79    75 S   CT   _C11    60     1.53946   115.28994   -66.15652
   80    79 S   HC   _H15    61     1.09405   110.14262    57.49332
   81    79 S   HC   _H16    62     1.10020   105.09014   169.99826
  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
  20   8   2   1   1  16   7  15  16   8   9   4   3   2   5   1
  10  15   6   5   2   3   1   1  13   6   5   7   1  11   5   4
  12   6   5   3   2   1   3   2   1   1   6   5   4   1   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    41    61    79    40    43    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    49    52    61    50    75    79    80    81    40    43    44    45    46    47    48  
   38    39    41    61    79    40    43    47  
   36    37  
   37  
    0  
   39    41    42    49    52    53    61    54    50    51    57    79    40    43    47    60  
   41    42    49    52    61    50    40  
   43    44    45    46    47    48    41    61    65    75    76    77    79    80    81  
   42    49    52    53    61    54    55    56    50    51    57    58    59    62    60    63  
   49    52    61    54    50    51    57    60  
   44    45    46    47    48    75    79    80    81  
   45    46    47    79  
   46    47    79  
   47    79  
   48    75    79    80    81  
   79  
   52    53    61    54    55    56    50    51    57    60  
   51    57    58    59    62    65    78    67    60    63    64    71    52    54    61  
   57    58    59    62    60    63  
   53    61    54    55    56  
   61    54  
   55    56    61  
   56  
    0  
   58    59    62    65    66    75    78    67    68    69    70    60    63  
   59    62    65    78    67    60  
   62    65    78    67    60  
   63    64    71    72    73    74    62  
    0  
   65    66    75    76    77    79    78    67    68    69    70  
   64    71    72    73    74  
   71    72    73    74  
   66    75    76    77    79    80    81    78    67    68    69    70  
   75    76    77    79    78    67  
   68    69    70    75    78  
   69    70    78  
   70    78  
   78  
   72    73    74  
   73    74  
   74  
    0  
   76    77    79    80    81    78  
   77    79    80    81    78  
   79    80    81    78  
   79  
   80    81  
   81  
    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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   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   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   79   3.5000   0.0660  -0.120000   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
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    41   268.000  1.529
   38    61   320.000  1.410
   41    42   340.000  1.090
   41    49   317.000  1.510
   41    50   268.000  1.529
   49    52   320.000  1.462
   49    54   549.000  1.340
   52    53   570.000  1.229
   52    61   214.000  1.327
   54    55   340.000  1.080
   54    56   340.000  1.080
   50    51   340.000  1.090
   50    57   268.000  1.529
   50    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   275.000  1.510
   62    65   260.000  1.509
   62    78   335.000  1.432
   62    67   275.000  1.510
   65    66   340.000  1.088
   65    75   275.000  1.510
   65    78   335.000  1.432
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    40   268.000  1.529
   40    43   268.000  1.529
   40    47   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    41    58.35000  112.70000
   33    38    61    50.00000  109.50000
   33    40    79    58.35000  112.70000
   33    40    43    58.35000  112.70000
   33    40    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    49    70.00000  112.02700
   38    41    50    58.35000  112.70000
   38    61    52    83.00000  116.90000
   41    38    39    37.50000  110.70000
   41    49    52    65.00000  116.34900
   41    49    54    70.00000  124.00000
   41    50    51    37.50000  110.70000
   41    50    57    58.35000  112.70000
   41    50    60    50.00000  109.50000
   49    41    42    35.00000  109.50000
   49    52    53    80.00000  123.72100
   49    52    61    90.00000  111.29400
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   61    38    39    35.00000  109.50000
   61    38    41    50.00000  109.50000
   61    52    53    83.00000  123.40000
   54    49    52    65.00000  118.96000
   56    54    55    35.00000  117.00000
   50    41    42    37.50000  110.70000
   50    41    49    70.00000  112.02700
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    62    70.00000  112.37300
   50    60    63    83.00000  116.90000
   57    50    51    37.50000  110.70000
   57    62    65    60.00000  120.94000
   57    62    78    80.00000  116.47100
   57    62    67    58.35000  112.70000
   59    57    58    33.00000  107.80000
   62    57    58    45.00000  109.38400
   62    57    59    45.00000  109.38400
   62    65    66    37.50000  117.20000
   62    65    75    60.00000  120.94000
   62    65    78    15.00000   60.43100
   62    78    65    15.00000   59.14900
   62    67    68    45.00000  109.38400
   62    67    69    45.00000  109.38400
   62    67    70    45.00000  109.38400
   65    75    76    45.00000  109.38400
   65    75    77    45.00000  109.38400
   65    75    79    70.00000  112.37300
   75    65    66    40.00000  115.04500
   75    79    80    37.50000  110.70000
   75    79    81    37.50000  110.70000
   75    79    40    58.35000  112.70000
   77    75    76    33.00000  107.80000
   79    75    76    37.50000  110.70000
   79    75    77    37.50000  110.70000
   79    40    43    58.35000  112.70000
   79    40    47    50.00000  109.50000
   81    79    80    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    79    80    37.50000  110.70000
   40    79    81    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    50.00000  109.50000
   78    62    65    15.00000   60.43100
   78    65    66    50.00000  114.27700
   78    65    75    80.00000  116.47100
   67    62    65    60.00000  120.94000
   67    62    78    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   60    50    51    35.00000  109.50000
   60    50    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    71    81.00000  111.40000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   71    63    64    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    61   0.56750  1.0 1.0
   29    33    38    61  -0.07550 -1.0 2.0
   29    33    38    61   0.20000  1.0 3.0
   29    33    40    79   0.44750  1.0 1.0
   29    33    40    79  -0.17800 -1.0 2.0
   29    33    40    79   0.20200  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    47   0.56750  1.0 1.0
   29    33    40    47  -0.07550 -1.0 2.0
   29    33    40    47   0.20000  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    49   0.34400  1.0 1.0
   33    38    41    49   0.09450 -1.0 2.0
   33    38    41    49   0.11100  1.0 3.0
   33    38    41    50   0.56750  1.0 1.0
   33    38    41    50  -0.07550 -1.0 2.0
   33    38    41    50   0.20000  1.0 3.0
   33    38    61    52  -0.25900  1.0 1.0
   33    38    61    52  -0.47000 -1.0 2.0
   33    38    61    52   0.11750  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    43    45   0.15000  1.0 3.0
   33    40    43    46   0.15000  1.0 3.0
   33    40    47    48  -0.11600  1.0 1.0
   33    40    47    48  -0.09450 -1.0 2.0
   33    40    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    61   0.23400  1.0 3.0
   34    33    40    79   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    47   0.23400  1.0 3.0
   38    33    40    79   0.56750  1.0 1.0
   38    33    40    79  -0.07550 -1.0 2.0
   38    33    40    79   0.20000  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    47   0.86500  1.0 1.0
   38    33    40    47  -0.17500 -1.0 2.0
   38    33    40    47   0.20800  1.0 3.0
   38    41   -49    52   0.09700  1.0 1.0
   38    41   -49    52   0.15600 -1.0 2.0
   38    41   -49    52  -0.50800  1.0 3.0
   38    41    49    54   0.09850  1.0 1.0
   38    41    49    54   0.15250 -1.0 2.0
   38    41    49    54  -0.50650  1.0 3.0
   38    41    50    51   0.15000  1.0 3.0
   38    41    50    57   0.56750  1.0 1.0
   38    41    50    57  -0.07550 -1.0 2.0
   38    41    50    57   0.20000  1.0 3.0
   38    41    50    60   0.62750  1.0 1.0
   38    41    50    60  -0.30950 -1.0 2.0
   38    41    50    60   0.27300  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    49   0.15000  1.0 3.0
   39    38    41    50   0.15000  1.0 3.0
   39    38    61    52   0.08050  1.0 3.0
   41    38   -61    52  -0.25900  1.0 1.0
   41    38   -61    52  -0.47000 -1.0 2.0
   41    38   -61    52   0.11750  1.0 3.0
   41    49    52    53  -0.64400  1.0 1.0
   41    49    52    53   0.26850 -1.0 2.0
   41    49   -52    61  -0.15000  1.0 1.0
   41    49   -52    61   0.89550 -1.0 2.0
   41    49   -52    61  -0.06900  1.0 3.0
   41    49    54    55   7.00000 -1.0 2.0
   41    49    54    56   7.00000 -1.0 2.0
   41    50    57    58   0.15000  1.0 3.0
   41    50    57    59   0.15000  1.0 3.0
   41    50    57    62   0.47050  1.0 1.0
   41    50    57    62   0.03900 -1.0 2.0
   41    50    57    62   0.20100  1.0 3.0
   41    50    60    63  -0.25900  1.0 1.0
   41    50    60    63  -0.47000 -1.0 2.0
   41    50    60    63   0.11750  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   42    41    49    54   0.00000  1.0 1.0
   42    41    50    51   0.15000  1.0 3.0
   42    41    50    57   0.15000  1.0 3.0
   42    41    50    60   0.23400  1.0 3.0
   49    41    50    51   0.15000  1.0 3.0
   49    41    50    57   0.34400  1.0 1.0
   49    41    50    57   0.09450 -1.0 2.0
   49    41    50    57   0.11100  1.0 3.0
   49    41    50    60   0.61850  1.0 1.0
   49    41    50    60  -0.22750 -1.0 2.0
   49    41    50    60   0.15300  1.0 3.0
   49    52   -61    38   2.00000 -1.0 2.0
   52    49    54    55   7.00000 -1.0 2.0
   52    49    54    56   7.00000 -1.0 2.0
   53    52    61    38   3.00000 -1.0 2.0
   61    38    41    42   0.23400  1.0 3.0
   61    38   -41    49   0.61850  1.0 1.0
   61    38   -41    49  -0.22750 -1.0 2.0
   61    38   -41    49   0.15300  1.0 3.0
   61    38    41    50   0.62750  1.0 1.0
   61    38    41    50  -0.30950 -1.0 2.0
   61    38    41    50   0.27300  1.0 3.0
   54    49    52    53   1.00000 -1.0 2.0
   54    49    52    61  -0.56150  1.0 1.0
   54    49    52    61   2.19150 -1.0 2.0
   50    41    49    52   0.09700  1.0 1.0
   50    41    49    52   0.15600 -1.0 2.0
   50    41    49    52  -0.50800  1.0 3.0
   50    41    49    54   0.09850  1.0 1.0
   50    41    49    54   0.15250 -1.0 2.0
   50    41    49    54  -0.50650  1.0 3.0
   50    57    62    65   0.07850  1.0 1.0
   50    57    62    65  -0.03950 -1.0 2.0
   50    57    62    65   0.67350  1.0 3.0
   50    57    62    78   0.02550  1.0 1.0
   50    57    62    78  -0.02600 -1.0 2.0
   50    57    62    78   1.20400  1.0 3.0
   50    57    62    67   0.56750  1.0 1.0
   50    57    62    67  -0.07550 -1.0 2.0
   50    57    62    67   0.20000  1.0 3.0
   50    60    63    64   3.00000 -1.0 2.0
   50    60    63    71   1.63150  1.0 1.0
   50    60    63    71   2.92000 -1.0 2.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    62   0.15000  1.0 3.0
   51    50    60    63   0.08050  1.0 3.0
   57    50    60    63  -0.25900  1.0 1.0
   57    50    60    63  -0.47000 -1.0 2.0
   57    50    60    63   0.11750  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    75   0.56750  1.0 1.0
   57    62    65    75  -0.07550 -1.0 2.0
   57    62    65    75   0.20000  1.0 3.0
   57    62   -65    78   0.02550  1.0 1.0
   57    62   -65    78  -0.02600 -1.0 2.0
   57    62   -65    78   1.20400  1.0 3.0
   57    62   -78    65   0.06250  1.0 1.0
   57    62   -78    65  -0.01100 -1.0 2.0
   57    62   -78    65   0.28050  1.0 3.0
   57    62    67    68   0.15000  1.0 3.0
   57    62    67    69   0.15000  1.0 3.0
   57    62    67    70   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    78   0.23400  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    78   0.23400  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    65    75    76   0.15000  1.0 3.0
   62    65    75    77   0.15000  1.0 3.0
   62    65    75    79   0.07850  1.0 1.0
   62    65    75    79  -0.03950 -1.0 2.0
   62    65    75    79   0.67350  1.0 3.0
   65    62    67    68   0.15000  1.0 3.0
   65    62    67    69   0.15000  1.0 3.0
   65    62    67    70   0.15000  1.0 3.0
   65    75    79    80   0.15000  1.0 3.0
   65    75    79    81   0.15000  1.0 3.0
   65    75    79    40   0.47050  1.0 1.0
   65    75    79    40   0.03900 -1.0 2.0
   65    75    79    40   0.20100  1.0 3.0
   66    65    75    76   0.15000  1.0 3.0
   66    65    75    77   0.15000  1.0 3.0
   66    65    75    79   0.15000  1.0 3.0
   66    65   -78    62   0.36800  1.0 3.0
   75    65   -78    62   0.06250  1.0 1.0
   75    65   -78    62  -0.01100 -1.0 2.0
   75    65   -78    62   0.28050  1.0 3.0
   75    79    40    33   0.56750  1.0 1.0
   75    79    40    33  -0.07550 -1.0 2.0
   75    79    40    33   0.20000  1.0 3.0
   75    79    40    43   0.56750  1.0 1.0
   75    79    40    43  -0.07550 -1.0 2.0
   75    79    40    43   0.20000  1.0 3.0
   75    79    40    47   0.86500  1.0 1.0
   75    79    40    47  -0.17500 -1.0 2.0
   75    79    40    47   0.20800  1.0 3.0
   76    75    79    80   0.15000  1.0 3.0
   76    75    79    81   0.15000  1.0 3.0
   76    75    79    40   0.15000  1.0 3.0
   77    75    79    80   0.15000  1.0 3.0
   77    75    79    81   0.15000  1.0 3.0
   77    75    79    40   0.15000  1.0 3.0
   79    40    43    44   0.15000  1.0 3.0
   79    40    43    45   0.15000  1.0 3.0
   79    40    43    46   0.15000  1.0 3.0
   79    40    47    48  -0.11600  1.0 1.0
   79    40    47    48  -0.09450 -1.0 2.0
   79    40    47    48   0.21250  1.0 3.0
   80    79    40    33   0.15000  1.0 3.0
   80    79    40    43   0.15000  1.0 3.0
   80    79    40    47   0.23400  1.0 3.0
   81    79    40    33   0.15000  1.0 3.0
   81    79    40    43   0.15000  1.0 3.0
   81    79    40    47   0.23400  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    41   0.56750  1.0 1.0
   40    33    38    41  -0.07550 -1.0 2.0
   40    33    38    41   0.20000  1.0 3.0
   40    33    38    61   0.62750  1.0 1.0
   40    33    38    61  -0.30950 -1.0 2.0
   40    33    38    61   0.27300  1.0 3.0
   43    40    47    48  -0.11600  1.0 1.0
   43    40    47    48  -0.09450 -1.0 2.0
   43    40    47    48   0.21250  1.0 3.0
   47    40    43    44   0.23400  1.0 3.0
   47    40    43    45   0.23400  1.0 3.0
   47    40    43    46   0.23400  1.0 3.0
   78    62   -65    66   0.23400  1.0 3.0
   78    62   -65    75   0.02550  1.0 1.0
   78    62   -65    75  -0.02600 -1.0 2.0
   78    62   -65    75   1.20400  1.0 3.0
   78    62    67    68   0.23400  1.0 3.0
   78    62    67    69   0.23400  1.0 3.0
   78    62    67    70   0.23400  1.0 3.0
   78    65    75    76   0.23400  1.0 3.0
   78    65    75    77   0.23400  1.0 3.0
   78    65    75    79   0.02550  1.0 1.0
   78    65    75    79  -0.02600 -1.0 2.0
   78    65    75    79   1.20400  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    62    65    75   0.56750  1.0 1.0
   67    62    65    75  -0.07550 -1.0 2.0
   67    62    65    75   0.20000  1.0 3.0
   67    62   -65    78   0.02550  1.0 1.0
   67    62   -65    78  -0.02600 -1.0 2.0
   67    62   -65    78   1.20400  1.0 3.0
   67    62   -78    65   0.06250  1.0 1.0
   67    62   -78    65  -0.01100 -1.0 2.0
   67    62   -78    65   0.28050  1.0 3.0
   60    50    57    58   0.23400  1.0 3.0
   60    50    57    59   0.23400  1.0 3.0
   60    50    57    62  -0.26800  1.0 1.0
   60    50    57    62   0.69150 -1.0 2.0
   60    50    57    62  -0.48750  1.0 3.0
   60    63    71    72   0.00000  1.0 1.0
   60    63    71    73   0.00000  1.0 1.0
   60    63    71    74   0.00000  1.0 1.0
   64    63    71    72   0.00000  1.0 1.0
   64    63    71    73   0.00000  1.0 1.0
   64    63    71    74   0.00000  1.0 1.0
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
   41    52    49    54   1.10000 -1.0 2.0
   49    61    52    53  10.50000 -1.0 2.0
   55    56    54    49   1.10000 -1.0 2.0
   60    71    63    64  10.50000 -1.0 2.0
END
