* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    157    242     466
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02054    97.80809    25.71760
    3     1 S   H    _H1_     3     1.02116    35.46941   137.17955
    4     1 S   H    _H2_     4     1.02073    81.25825   -82.08630
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C17    36     1.80030    98.79359   -78.14781
   34    33 S   HC   _H17    37     1.08579   110.12879   -60.43542
   35    33 S   HC   _H18    38     1.08589   110.26977    60.08239
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C14    39     1.50877   109.41661   179.97202
   40    39 S   CM   _C13    40     1.35042   122.05473    90.31570
   41    40 S   OS   _O35    41     1.37734   124.31562  -177.52971
   42    40 S   OH   _O37    87     1.38255   120.00812     1.50194
   43    42 S   HO   _H19    88     0.96167   109.70752   179.98022
   44    41 S   CT   _C12    42     1.43154   116.93778    -8.79031
   45    44 S   HC   _H14    43     1.09567   107.33005   -84.64947
   46    44 S   HC   _H15    44     1.09695   106.90786   161.61546
   47    44 S   CT   _C11    45     1.53986   113.13004    39.38654
   48    47 S   CT   _C10    46     1.53753   111.40146   178.15072
   49    48 S   HC   _H12    47     1.09925   110.55689   -54.77537
   50    48 S   HC   _H13    48     1.10081   109.98264  -169.94191
   51    47 S   CM   _C18    82     1.51763   108.96443    61.14537
   52    51 S   HC   _H20    83     1.08598   117.20054     0.18452
   53    48 S   CT   _C9_    49     1.52518   113.91193    68.16953
   54    53 S   HC   _H4_    50     1.09734   110.39967   -67.41801
   55    51 S   CM   _C19    84     1.33761   124.02465  -179.88297
   56    55 S   HC   _H21    85     1.08427   120.42712   179.97202
   57    55 S   HC   _H22    86     1.08436   121.56185     0.10653
   58    53 S   CT   _C8_    51     1.53094   111.01131    56.09822
   59    58 S   HC   _H3_    52     1.09937   109.24310    67.28932
   60    53 S   OS   _O38    70     1.42996   108.01627   175.50490
   61    58 S   CT   _C16    53     1.54169   112.25685   -53.85538
   62    61 S   HC   _H6_    54     1.09744   110.39072   -73.56164
   63    58 S   CM   _C6_    59     1.50650   109.38055  -177.00539
   64    60 S   CO4  _C20    71     1.36106   115.76259    89.00436
   65    64 S   O    _O39    72     1.22306   125.77270     0.02798
   66    39 S   CT   _C15    55     1.53189   116.41349   -87.06772
   67    66 S   HC   _H5_    56     1.10104   107.73382    38.73023
   68    61 S   OH   _O36    57     1.43387   107.56507   169.56749
   69    68 S   HO   _H16    58     0.96761   106.07232   -63.04317
   70    63 S   CM   _C7_    60     1.34111   122.37884    62.30881
   71    70 S   HC   _H10    61     1.08577   120.80754    -0.03956
   72    70 S   HC   _H11    62     1.08389   122.70758  -180.00000
   73    63 S   CO4  _C5_    63     1.48914   120.29220  -117.71100
   74    73 S   O    _O34    64     1.22371   124.49961  -149.99557
   75    64 S   CM   _C21    73     1.48976   109.78697  -179.85196
   76    73 S   OS   _O33    65     1.36054   109.58225    29.92724
   77    75 S   CM   _C22    74     1.34148   116.94519   149.92206
   78    77 S   HC   _H23    75     1.08630   120.81352  -179.47735
   79    77 S   HC   _H24    76     1.08491   122.72599     0.37168
   80    75 S   CT   _C23    77     1.50048   120.94482   -29.09993
   81    80 S   HC   _H25    78     1.09578   111.66415   178.94873
   82    80 S   HC   _H26    79     1.09518   110.77540    58.81100
   83    76 S   CT   _C4_    66     1.43212   115.68674   180.00000
   84    83 S   HC   _H7_    67     1.09283   109.49524  -180.00000
   85    83 S   HC   _H8_    68     1.09302   109.47005    59.25214
   86    83 S   HC   _H9_    69     1.09222   109.04133   -60.36767
   87    80 S   OH   _O40    80     1.42166   109.45150   -61.55673
   88    87 S   HO   _H27    81     0.97055   106.73792   179.97202
  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   6   5   4   3
  10   4   3   2   1   1  14  10   9   3   1  13   5   4  17  15
   7   6   8   4  14   6   3   1   1  16   8   7   8   5   9   9
   3   3   1   1   1   5   2   1   6   2   8   4   6   2   1   4
   3   2   3   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    66  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    47    61    66    67    42  
   35    39    40    66  
   39    40    66  
   37    38  
   38  
    0  
   40    41    44    47    48    58    61    62    66    67    68    51    42    43  
   41    44    45    46    47    61    66    67    42    43  
   44    45    46    47    48    66    51    42    43  
   43    44    66  
    0  
   45    46    47    48    49    50    53    61    66    67    51    52    55  
   46    47    48    66    51  
   47    48    66    51  
   48    49    50    53    54    58    61    62    66    67    68    60    51    52    55    56    57  
   49    50    53    54    58    59    61    66    67    63    60    64    51    52    55  
   50    53    54    58    66    60    51  
   53    54    58    66    60    51  
   52    55    56    57    53    61    66    67  
   55    56    57    66  
   54    58    59    61    62    66    68    63    70    73    60    64    65    75  
   58    59    61    63    60    64  
   56    57    66  
   57  
    0  
   59    61    62    66    67    68    69    63    70    71    72    73    74    76    60    64  
   61    62    66    68    63    70    73    60  
   64    65    75    77    80    61    63  
   62    66    67    68    69    63    70    73  
   66    67    68    69    63  
   70    71    72    73    74    76    83    66    68  
   65    75    77    78    79    80    81    82    87  
   75    77    80  
   67    68    69  
   68  
   69  
    0  
   71    72    73    74    76  
   72    73  
   73  
   74    76    83    84    85    86  
   76    83  
   77    78    79    80    81    82    87    88  
   83    84    85    86  
   78    79    80    81    82    87  
   79    80  
   80  
   81    82    87    88  
   82    87    88  
   87    88  
   84    85    86  
   85    86  
   86  
    0  
   88  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    66   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   268.000  1.529
   47    66   268.000  1.529
   47    51   317.000  1.510
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   320.000  1.410
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   317.000  1.510
   61    62   340.000  1.090
   61    66   268.000  1.529
   61    68   320.000  1.410
   66    67   340.000  1.090
   68    69   553.000  0.945
   63    70   549.000  1.340
   63    73   320.000  1.462
   70    71   340.000  1.080
   70    72   340.000  1.080
   73    74   570.000  1.229
   73    76   214.000  1.327
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   60    64   214.000  1.327
   64    65   570.000  1.229
   64    75   320.000  1.462
   75    77   549.000  1.340
   75    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   320.000  1.410
   87    88   553.000  0.945
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
   42    43   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    66    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    66    47    70.00000  112.02700
   39    66    61    70.00000  112.02700
   39    66    67    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    35.00000  109.50000
   41    44    47    50.00000  109.50000
   44    47    48    58.35000  112.70000
   44    47    66    58.35000  112.70000
   44    47    51    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    53    58.35000  112.70000
   47    66    61    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    51    52    35.00000  117.00000
   47    51    55    70.00000  124.00000
   48    53    54    37.50000  110.70000
   48    53    58    58.35000  112.70000
   48    53    60    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    61    58.35000  112.70000
   53    58    63    70.00000  112.02700
   53    60    64    83.00000  116.90000
   58    53    54    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    66    58.35000  112.70000
   58    61    68    50.00000  109.50000
   58    63    70    70.00000  124.00000
   58    63    73    65.00000  116.34900
   61    58    59    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    68    69    55.00000  108.50000
   66    39    40    70.00000  124.00000
   66    47    48    58.35000  112.70000
   66    61    62    37.50000  110.70000
   68    61    62    35.00000  109.50000
   68    61    66    50.00000  109.50000
   63    58    59    35.00000  109.50000
   63    58    61    70.00000  112.02700
   63    70    71    35.00000  120.00000
   63    70    72    35.00000  120.00000
   63    73    74    80.00000  123.72100
   63    73    76    90.00000  111.29400
   72    70    71    35.00000  117.00000
   73    63    70    65.00000  118.96000
   73    76    83    83.00000  116.90000
   76    73    74    83.00000  123.40000
   76    83    84    35.00000  109.50000
   76    83    85    35.00000  109.50000
   76    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   60    53    54    35.00000  109.50000
   60    53    58    50.00000  109.50000
   60    64    65    83.00000  123.40000
   60    64    75    90.00000  111.29400
   64    75    77    65.00000  118.96000
   64    75    80    65.00000  116.34900
   75    64    65    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    79    35.00000  120.00000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    87    90.00000  110.39200
   79    77    78    35.00000  117.00000
   80    75    77    70.00000  124.00000
   80    87    88    55.00000  108.50000
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   51    47    48    70.00000  112.02700
   51    47    66    70.00000  112.02700
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   55    51    52    35.00000  120.00000
   57    55    56    35.00000  117.00000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    66   0.30250  1.0 1.0
   29    33    39    66  -0.14950 -1.0 2.0
   29    33    39    66   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    66    47   0.46850  1.0 1.0
   33    39    66    47   0.08550 -1.0 2.0
   33    39    66    47   0.09800  1.0 3.0
   33    39    66    61   0.46850  1.0 1.0
   33    39    66    61   0.08550 -1.0 2.0
   33    39    66    61   0.09800  1.0 3.0
   33    39    66    67   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    66   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    66   0.34800  1.0 3.0
   39    40    41    44  -2.26850  1.0 1.0
   39    40    41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39    66    47   0.09850  1.0 1.0
   40    39    66    47   0.15250 -1.0 2.0
   40    39    66    47  -0.50650  1.0 3.0
   40    39    66    61   0.09850  1.0 1.0
   40    39    66    61   0.15250 -1.0 2.0
   40    39    66    61  -0.50650  1.0 3.0
   40    39    66    67   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46   0.08050  1.0 3.0
   40    41   -44    47  -0.46850  1.0 1.0
   40    41   -44    47   0.09300 -1.0 2.0
   40    41   -44    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    47    48   0.62750  1.0 1.0
   41    44    47    48  -0.30950 -1.0 2.0
   41    44    47    48   0.27300  1.0 3.0
   41    44    47    66   0.62750  1.0 1.0
   41    44    47    66  -0.30950 -1.0 2.0
   41    44    47    66   0.27300  1.0 3.0
   41    44    47    51   0.61850  1.0 1.0
   41    44    47    51  -0.22750 -1.0 2.0
   41    44    47    51   0.15300  1.0 3.0
   44    47    48    49   0.15000  1.0 3.0
   44    47    48    50   0.15000  1.0 3.0
   44    47    48    53   0.56750  1.0 1.0
   44    47    48    53  -0.07550 -1.0 2.0
   44    47    48    53   0.20000  1.0 3.0
   44    47   -66    39   0.34400  1.0 1.0
   44    47   -66    39   0.09450 -1.0 2.0
   44    47   -66    39   0.11100  1.0 3.0
   44    47    66    61   0.56750  1.0 1.0
   44    47    66    61  -0.07550 -1.0 2.0
   44    47    66    61   0.20000  1.0 3.0
   44    47    66    67   0.15000  1.0 3.0
   44    47    51    52   0.00000  1.0 1.0
   44    47    51    55   0.09850  1.0 1.0
   44    47    51    55   0.15250 -1.0 2.0
   44    47    51    55  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    66   0.15000  1.0 3.0
   45    44    47    51   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    66   0.15000  1.0 3.0
   46    44    47    51   0.15000  1.0 3.0
   47    48    53    54   0.15000  1.0 3.0
   47    48    53    58   0.56750  1.0 1.0
   47    48    53    58  -0.07550 -1.0 2.0
   47    48    53    58   0.20000  1.0 3.0
   47    48    53    60   0.62750  1.0 1.0
   47    48    53    60  -0.30950 -1.0 2.0
   47    48    53    60   0.27300  1.0 3.0
   47    51    55    56   7.00000 -1.0 2.0
   47    51    55    57   7.00000 -1.0 2.0
   48    47    66    39   0.34400  1.0 1.0
   48    47    66    39   0.09450 -1.0 2.0
   48    47    66    39   0.11100  1.0 3.0
   48    47    66    61   0.56750  1.0 1.0
   48    47    66    61  -0.07550 -1.0 2.0
   48    47    66    61   0.20000  1.0 3.0
   48    47    66    67   0.15000  1.0 3.0
   48    47    51    52   0.00000  1.0 1.0
   48    47    51    55   0.09850  1.0 1.0
   48    47    51    55   0.15250 -1.0 2.0
   48    47    51    55  -0.50650  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53   -58    61   0.56750  1.0 1.0
   48    53   -58    61  -0.07550 -1.0 2.0
   48    53   -58    61   0.20000  1.0 3.0
   48    53    58    63   0.34400  1.0 1.0
   48    53    58    63   0.09450 -1.0 2.0
   48    53    58    63   0.11100  1.0 3.0
   48    53    60    64  -0.25900  1.0 1.0
   48    53    60    64  -0.47000 -1.0 2.0
   48    53    60    64   0.11750  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   49    48    53    60   0.23400  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    58   0.15000  1.0 3.0
   50    48    53    60   0.23400  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    61    66   0.56750  1.0 1.0
   53    58    61    66  -0.07550 -1.0 2.0
   53    58    61    66   0.20000  1.0 3.0
   53    58    61    68   0.86500  1.0 1.0
   53    58    61    68  -0.17500 -1.0 2.0
   53    58    61    68   0.20800  1.0 3.0
   53    58    63    70   0.09850  1.0 1.0
   53    58    63    70   0.15250 -1.0 2.0
   53    58    63    70  -0.50650  1.0 3.0
   53    58    63    73   0.09700  1.0 1.0
   53    58    63    73   0.15600 -1.0 2.0
   53    58    63    73  -0.50800  1.0 3.0
   53    60    64    65   3.00000 -1.0 2.0
   53    60    64    75   2.00000 -1.0 2.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    60    64   0.08050  1.0 3.0
   58    53    60    64  -0.25900  1.0 1.0
   58    53    60    64  -0.47000 -1.0 2.0
   58    53    60    64   0.11750  1.0 3.0
   58    61    66    39   0.34400  1.0 1.0
   58    61    66    39   0.09450 -1.0 2.0
   58    61    66    39   0.11100  1.0 3.0
   58    61   -66    47   0.56750  1.0 1.0
   58    61   -66    47  -0.07550 -1.0 2.0
   58    61   -66    47   0.20000  1.0 3.0
   58    61    66    67   0.15000  1.0 3.0
   58    61    68    69  -0.11600  1.0 1.0
   58    61    68    69  -0.09450 -1.0 2.0
   58    61    68    69   0.21250  1.0 3.0
   58    63    70    71   7.00000 -1.0 2.0
   58    63    70    72   7.00000 -1.0 2.0
   58    63    73    74  -0.64400  1.0 1.0
   58    63    73    74   0.26850 -1.0 2.0
   58    63    73    76  -0.15000  1.0 1.0
   58    63    73    76   0.89550 -1.0 2.0
   58    63    73    76  -0.06900  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    66   0.15000  1.0 3.0
   59    58    61    68   0.23400  1.0 3.0
   59    58    63    70   0.00000  1.0 1.0
   59    58    63    73   0.15000  1.0 3.0
   61    58    63    70   0.09850  1.0 1.0
   61    58    63    70   0.15250 -1.0 2.0
   61    58    63    70  -0.50650  1.0 3.0
   61    58    63    73   0.09700  1.0 1.0
   61    58    63    73   0.15600 -1.0 2.0
   61    58    63    73  -0.50800  1.0 3.0
   62    61    66    39   0.15000  1.0 3.0
   62    61    66    47   0.15000  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   66    39   -40    41   7.00000 -1.0 2.0
   66    39    40    42   7.00000 -1.0 2.0
   66    47    48    49   0.15000  1.0 3.0
   66    47    48    50   0.15000  1.0 3.0
   66    47   -48    53   0.56750  1.0 1.0
   66    47   -48    53  -0.07550 -1.0 2.0
   66    47   -48    53   0.20000  1.0 3.0
   66    47    51    52   0.00000  1.0 1.0
   66    47    51    55   0.09850  1.0 1.0
   66    47    51    55   0.15250 -1.0 2.0
   66    47    51    55  -0.50650  1.0 3.0
   66    61    68    69  -0.11600  1.0 1.0
   66    61    68    69  -0.09450 -1.0 2.0
   66    61    68    69   0.21250  1.0 3.0
   68    61    66    39   1.05650  1.0 1.0
   68    61    66    39   0.15600 -1.0 2.0
   68    61    66    39   0.53150  1.0 3.0
   68    61    66    47   0.86500  1.0 1.0
   68    61    66    47  -0.17500 -1.0 2.0
   68    61    66    47   0.20800  1.0 3.0
   68    61    66    67   0.23400  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    58    61    66   0.34400  1.0 1.0
   63    58    61    66   0.09450 -1.0 2.0
   63    58    61    66   0.11100  1.0 3.0
   63    58    61    68   1.05650  1.0 1.0
   63    58    61    68   0.15600 -1.0 2.0
   63    58    61    68   0.53150  1.0 3.0
   63    73    76    83   2.00000 -1.0 2.0
   70    63    73    74   1.00000 -1.0 2.0
   70    63    73    76  -0.56150  1.0 1.0
   70    63    73    76   2.19150 -1.0 2.0
   73    63    70    71   7.00000 -1.0 2.0
   73    63    70    72   7.00000 -1.0 2.0
   73    76    83    84   0.08050  1.0 3.0
   73    76    83    85   0.08050  1.0 3.0
   73    76    83    86   0.08050  1.0 3.0
   74    73    76    83   3.00000 -1.0 2.0
   60    53    58    59   0.23400  1.0 3.0
   60    53    58    61   0.62750  1.0 1.0
   60    53    58    61  -0.30950 -1.0 2.0
   60    53    58    61   0.27300  1.0 3.0
   60    53    58    63   0.61850  1.0 1.0
   60    53    58    63  -0.22750 -1.0 2.0
   60    53    58    63   0.15300  1.0 3.0
   60    64    75    77  -0.56150  1.0 1.0
   60    64    75    77   2.19150 -1.0 2.0
   60    64    75    80  -0.15000  1.0 1.0
   60    64    75    80   0.89550 -1.0 2.0
   60    64    75    80  -0.06900  1.0 3.0
   64    75    77    78   7.00000 -1.0 2.0
   64    75    77    79   7.00000 -1.0 2.0
   64    75    80    81   0.15000  1.0 3.0
   64    75    80    82   0.15000  1.0 3.0
   64    75    80    87   0.09700  1.0 1.0
   64    75    80    87   0.15600 -1.0 2.0
   64    75    80    87  -0.50800  1.0 3.0
   65    64    75    77   1.00000 -1.0 2.0
   65    64    75    80  -0.64400  1.0 1.0
   65    64    75    80   0.26850 -1.0 2.0
   75    80    87    88  -0.07800  1.0 1.0
   75    80    87    88  -0.21500 -1.0 2.0
   75    80    87    88  -0.03150  1.0 3.0
   77    75    80    81   0.00000  1.0 1.0
   77    75    80    82   0.00000  1.0 1.0
   77    75    80    87   0.67800  1.0 1.0
   77    75    80    87   0.47050 -1.0 2.0
   77    75    80    87  -0.62500  1.0 3.0
   80    75    77    78   7.00000 -1.0 2.0
   80    75    77    79   7.00000 -1.0 2.0
   81    80    87    88   0.19450  1.0 3.0
   82    80    87    88   0.19450  1.0 3.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    53   0.34400  1.0 1.0
   51    47    48    53   0.09450 -1.0 2.0
   51    47    48    53   0.11100  1.0 3.0
   51    47    66    39   0.31000  1.0 1.0
   51    47    66    39   0.14700 -1.0 2.0
   51    47    66    39   0.07550  1.0 3.0
   51    47    66    61   0.34400  1.0 1.0
   51    47    66    61   0.09450 -1.0 2.0
   51    47    66    61   0.11100  1.0 3.0
   51    47    66    67   0.15000  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   42    40    41    44   2.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   33    66    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   58    73    63    70  15.00000 -1.0 2.0
   71    72    70    63  15.00000 -1.0 2.0
   63    76    73    74  10.50000 -1.0 2.0
   60    75    64    65  10.50000 -1.0 2.0
   64    80    75    77  15.00000 -1.0 2.0
   78    79    77    75  15.00000 -1.0 2.0
   47    52    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
