* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    163    255     478
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02081   104.93227   -32.13109
    3     1 S   H    _H1_     3     1.02069    66.99946    72.16334
    4     1 S   H    _H2_     4     1.02134    45.74345  -133.82234
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   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   _C22    36     1.82119    98.16583  -158.17580
   34    33 S   HC   _H24    37     1.09465   107.09943   -59.98400
   35    33 S   HC   _H25    38     1.09544   107.67669    54.94226
   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   CT   _C20    39     1.53626   114.78673   177.44266
   40    39 S   HC   _H8_    40     1.10022   108.35369   176.63396
   41    39 S   CO4  _C19    41     1.52567   110.91826    60.94513
   42    41 S   O    _O39    42     1.22437   124.92626  -122.73836
   43    39 S   CT   _C21    81     1.53276   113.16020   -64.95593
   44    43 S   HC   _H21    82     1.09498   110.65059   -54.32818
   45    43 S   HC   _H22    83     1.09429   112.39886    67.64877
   46    41 S   OS   _O38    43     1.36320   109.17127    57.33226
   47    43 S   OH   _O40    84     1.42549   109.16954  -172.59255
   48    47 S   HO   _H23    85     0.97004   106.59361  -179.96574
   49    46 S   CT   _C7_    44     1.43841   115.23554   179.90935
   50    49 S   HC   _H4_    45     1.10089   106.41123   -29.95563
   51    49 S   CT   _C8_    46     1.54726   103.16171    87.17853
   52    51 S   HC   _H11    47     1.10000   108.07261   -38.41368
   53    51 S   HC   _H12    48     1.09865   108.05905    73.48276
   54    49 S   CT   _C6_    63     1.55456   108.54019  -148.18604
   55    54 S   HC   _H3_    64     1.09963   108.37646   -73.00968
   56    51 S   C3T  _C9_    49     1.51318   119.55895  -159.57727
   57    54 S   CM   _C5_    65     1.50883   118.83137    47.67196
   58    56 S   C3T  _C10    50     1.53869   116.51264  -122.11641
   59    58 S   HC   _H5_    51     1.08275   119.09935     6.04296
   60    57 S   CO4  _C16    66     1.48244   108.05204   155.41196
   61    60 S   O    _O35    67     1.21770   127.56825   163.77071
   62    57 S   CM   _C4_    69     1.33629   133.38551   -21.49411
   63    62 S   HC   _H9_    70     1.08336   120.67152    -3.38512
   64    62 S   HC   _H10    71     1.08265   120.67871   176.71342
   65    56 S   CO   _C18    76     1.51949   119.94888    43.64724
   66    65 S   HC   _H7_    77     1.11653   110.58971   166.87203
   67    58 S   CT   _C11    52     1.49778   121.34735   154.32782
   68    67 S   HC   _H13    53     1.09724   109.21825   160.19569
   69    67 S   HC   _H14    54     1.09537   111.61575    43.45504
   70    83 S   OS   _O34    68     1.44163   107.44057   129.61205
   71    65 S   OH   _O37    78     1.43112   110.85985    50.75612
   72    71 S   HO   _H20    79     0.96793   106.29553  -180.00000
   73    56 S   O3T  _O33    80     1.45271   112.53708   175.28158
   74    67 S   CT   _C12    55     1.53820   110.95017   -79.55936
   75    74 S   HC   _H15    56     1.09859   108.57862   -77.96610
   76    74 S   HC   _H16    57     1.09599   110.44426   166.20596
   77    74 S   CM   _C13    58     1.51306   110.93432    43.29073
   78    77 S   CM   _C14    59     1.34852   119.41701  -100.89669
   79    78 S   HC   _H17    60     1.08908   118.65216    -6.37009
   80    77 S   CT   _C17    72     1.50935   116.08581    69.19960
   81    80 S   HC   _H18    73     1.09637   112.11600     8.35712
   82    80 S   HC   _H19    74     1.09579   109.09449   125.67006
   83    78 S   CT   _C15    61     1.49399   125.66112   168.18872
   84    83 S   HC   _H6_    62     1.09667   111.68163    13.83851
   85    80 S   OS   _O36    75     1.43046   112.02469  -115.23501
  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   7   5   4   3
  11   5   4   2   1   1  10   7  10   3   5   3   2  10   1   1
  17   8  15   6   5  14   7  13   9  13   6   8   3   4   1   1
  10   5   9   6   5   5   4   1   2  10   4   3   8   7   3   4
   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    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    43    44    45    47  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    46    49    43    44    45    47    48  
   41    42    46    43    44    45    47  
   42    46    49    50    51    54    43    44    45    47  
   46    49    43  
   44    45    47    48    46  
   45    47    48  
   47    48  
   49    50    51    52    53    56    83    54    55    57  
   48  
    0  
   50    51    52    53    56    58    78    83    84    54    55    57    60    70    62    65    73  
   51    52    53    56    83    54    55    57  
   52    53    56    58    59    67    83    54    55    57    85    65    66    71    73  
   53    56    58    54    65    73  
   56    58    54    65    73  
   55    57    60    61    70    62    63    64    56    77    78    79    83    84  
   57    60    70    62    78    83    84  
   58    59    67    68    69    74    80    85    65    66    71    72    73  
   60    61    70    62    63    64    78    83    84  
   59    67    68    69    74    75    76    77    85    65    66    71    73  
   67    68    69    74    65    73  
   61    70    62    63    64    78    83    84  
   70    62    83  
   63    64    70    83  
   64  
    0  
   66    71    72    73    67    77    80    81    82    85  
   71    72    73    80    85  
   68    69    74    75    76    77    78    80    73  
   69    74    75    76    77    73  
   74    75    76    77    73  
   77    78    79    83    84  
   72    73    80    85  
   85  
   74    85  
   75    76    77    78    79    83    80    81    82    85  
   76    77    78    80  
   77    78    80  
   78    79    83    84    80    81    82    85  
   79    83    84    80    81    82    85  
   83    84    80  
   81    82    85    83  
   82    85  
   85  
   84  
    0  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.145000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
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   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    46   214.000  1.327
   46    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   275.000  1.510
   56    58   260.000  1.509
   56    65   275.000  1.510
   56    73   335.000  1.432
   58    59   340.000  1.088
   58    67   275.000  1.510
   58    73   335.000  1.432
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   317.000  1.510
   77    78   549.000  1.340
   77    80   317.000  1.510
   78    79   340.000  1.080
   78    83   317.000  1.510
   83    84   340.000  1.090
   83    54   268.000  1.529
   83    70   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    60   320.000  1.462
   57    62   549.000  1.340
   60    61   570.000  1.229
   60    70   214.000  1.327
   62    63   340.000  1.080
   62    64   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    85   320.000  1.410
   85    65   320.000  1.380
   65    66   340.000  1.090
   65    71   380.000  1.407
   71    72   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   320.000  1.410
   47    48   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  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    46    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    47    50.00000  109.50000
   41    39    40    35.00000  109.50000
   41    46    49    83.00000  116.90000
   46    41    42    83.00000  123.40000
   46    49    50    35.00000  109.50000
   46    49    51    50.00000  109.50000
   46    49    54    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    70.00000  112.37300
   49    54    83    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    57    70.00000  112.02700
   51    49    50    37.50000  110.70000
   51    56    58    60.00000  120.94000
   51    56    65    75.00000  109.43000
   51    56    73    80.00000  116.47100
   53    51    52    33.00000  107.80000
   56    51    52    45.00000  109.38400
   56    51    53    45.00000  109.38400
   56    58    59    37.50000  117.20000
   56    58    67    60.00000  120.94000
   56    58    73    15.00000   60.43100
   56    65    85    90.00000  108.56700
   56    65    66    45.00000  112.01100
   56    65    71    90.00000  110.19100
   56    73    58    15.00000   59.14900
   58    67    68    45.00000  109.38400
   58    67    69    45.00000  109.38400
   58    67    74    70.00000  112.37300
   67    58    59    40.00000  115.04500
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    70.00000  112.02700
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    77    78    70.00000  124.00000
   74    77    80    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    35.00000  109.50000
   77    74    76    35.00000  109.50000
   77    78    79    35.00000  120.00000
   77    78    83    70.00000  124.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    85    85.00000  110.90400
   78    83    84    35.00000  109.50000
   78    83    54    70.00000  112.02700
   78    83    70    85.00000  110.90400
   83    78    79    35.00000  117.00000
   83    54    55    37.50000  110.70000
   83    54    57    70.00000  112.02700
   83    70    60    83.00000  116.90000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   54    83    84    37.50000  110.70000
   54    57    60    65.00000  116.34900
   54    57    62    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    60    61    80.00000  123.72100
   57    60    70    90.00000  111.29400
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   70    83    84    35.00000  109.50000
   70    83    54    50.00000  109.50000
   70    60    61    83.00000  123.40000
   62    57    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   80    77    78    70.00000  124.00000
   80    85    65    60.00000  109.50000
   82    80    81    33.00000  107.80000
   85    80    81    35.00000  109.50000
   85    80    82    35.00000  109.50000
   85    65    66    35.00000  109.50000
   85    65    71   110.00000  112.08000
   65    56    58    60.00000  120.94000
   65    71    72    70.00000  107.92000
   71    65    66    60.00000  108.02500
   73    56    58    15.00000   60.43100
   73    56    65    80.00000  116.47100
   73    58    59    50.00000  114.27700
   73    58    67    80.00000  116.47100
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   43    47    48    55.00000  108.50000
   45    43    44    33.00000  107.80000
   47    43    44    35.00000  109.50000
   47    43    45    35.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    46   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    47   0.86500  1.0 1.0
   33    39    43    47  -0.17500 -1.0 2.0
   33    39    43    47   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    46    49   1.63150  1.0 1.0
   39    41    46    49   2.92000 -1.0 2.0
   39    43    47    48  -0.11600  1.0 1.0
   39    43    47    48  -0.09450 -1.0 2.0
   39    43    47    48   0.21250  1.0 3.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    46   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    47   0.23400  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    47  -0.09450  1.0 1.0
   41    39    43    47  -1.12950 -1.0 2.0
   41    39    43    47   0.54000  1.0 3.0
   41    46    49    50   0.08050  1.0 3.0
   41    46    49    51  -0.25900  1.0 1.0
   41    46    49    51  -0.47000 -1.0 2.0
   41    46    49    51   0.11750  1.0 3.0
   41    46    49    54  -0.25900  1.0 1.0
   41    46    49    54  -0.47000 -1.0 2.0
   41    46    49    54   0.11750  1.0 3.0
   42    41    46    49   3.00000 -1.0 2.0
   46    49    51    52   0.23400  1.0 3.0
   46    49    51    53   0.23400  1.0 3.0
   46    49    51    56  -0.26800  1.0 1.0
   46    49    51    56   0.69150 -1.0 2.0
   46    49    51    56  -0.48750  1.0 3.0
   46    49    54    83   0.62750  1.0 1.0
   46    49    54    83  -0.30950 -1.0 2.0
   46    49    54    83   0.27300  1.0 3.0
   46    49    54    55   0.23400  1.0 3.0
   46    49    54    57   0.61850  1.0 1.0
   46    49    54    57  -0.22750 -1.0 2.0
   46    49    54    57   0.15300  1.0 3.0
   49    51    56    58   0.07850  1.0 1.0
   49    51    56    58  -0.03950 -1.0 2.0
   49    51    56    58   0.67350  1.0 3.0
   49    51    56    65   3.97050  1.0 1.0
   49    51    56    73   0.02550  1.0 1.0
   49    51    56    73  -0.02600 -1.0 2.0
   49    51    56    73   1.20400  1.0 3.0
   49    54    57    60   0.09700  1.0 1.0
   49    54    57    60   0.15600 -1.0 2.0
   49    54    57    60  -0.50800  1.0 3.0
   49    54    57    62   0.09850  1.0 1.0
   49    54    57    62   0.15250 -1.0 2.0
   49    54    57    62  -0.50650  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    56   0.15000  1.0 3.0
   50    49    54    83   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    83   0.56750  1.0 1.0
   51    49    54    83  -0.07550 -1.0 2.0
   51    49    54    83   0.20000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    57   0.34400  1.0 1.0
   51    49    54    57   0.09450 -1.0 2.0
   51    49    54    57   0.11100  1.0 3.0
   51    56    58    59   0.15000  1.0 3.0
   51    56    58    67   0.56750  1.0 1.0
   51    56    58    67  -0.07550 -1.0 2.0
   51    56    58    67   0.20000  1.0 3.0
   51    56   -58    73   0.02550  1.0 1.0
   51    56   -58    73  -0.02600 -1.0 2.0
   51    56   -58    73   1.20400  1.0 3.0
   51    56    65    85   0.62750  1.0 1.0
   51    56    65    85  -0.30950 -1.0 2.0
   51    56    65    85   0.27300  1.0 3.0
   51    56    65    66   0.15000  1.0 3.0
   51    56    65    71   0.86500  1.0 1.0
   51    56    65    71  -0.17500 -1.0 2.0
   51    56    65    71   0.20800  1.0 3.0
   51    56   -73    58   0.06250  1.0 1.0
   51    56   -73    58  -0.01100 -1.0 2.0
   51    56   -73    58   0.28050  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    65   0.15000  1.0 3.0
   52    51    56    73   0.23400  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    65   0.15000  1.0 3.0
   53    51    56    73   0.23400  1.0 3.0
   56    58    67    68   0.15000  1.0 3.0
   56    58    67    69   0.15000  1.0 3.0
   56    58    67    74   0.07850  1.0 1.0
   56    58    67    74  -0.03950 -1.0 2.0
   56    58    67    74   0.67350  1.0 3.0
   56    65    71    72  -0.11600  1.0 1.0
   56    65    71    72  -0.09450 -1.0 2.0
   56    65    71    72   0.21250  1.0 3.0
   58    56    65    85  -0.26800  1.0 1.0
   58    56    65    85   0.69150 -1.0 2.0
   58    56    65    85  -0.48750  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    56    65    71   0.86500  1.0 1.0
   58    56    65    71  -0.17500 -1.0 2.0
   58    56    65    71   0.20800  1.0 3.0
   58    67    74    75   0.15000  1.0 3.0
   58    67    74    76   0.15000  1.0 3.0
   58    67    74    77   0.34400  1.0 1.0
   58    67    74    77   0.09450 -1.0 2.0
   58    67    74    77   0.11100  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    74   0.15000  1.0 3.0
   59    58   -73    56   0.36800  1.0 3.0
   67    58   -73    56   0.06250  1.0 1.0
   67    58   -73    56  -0.01100 -1.0 2.0
   67    58   -73    56   0.28050  1.0 3.0
   67    74    77    78   0.09850  1.0 1.0
   67    74    77    78   0.15250 -1.0 2.0
   67    74    77    78  -0.50650  1.0 3.0
   67    74    77    80   0.46850  1.0 1.0
   67    74    77    80   0.08550 -1.0 2.0
   67    74    77    80   0.09800  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    77   0.15000  1.0 3.0
   74    77    78    79   7.00000 -1.0 2.0
   74    77    78    83   7.00000 -1.0 2.0
   74    77    80    81   0.34800  1.0 3.0
   74    77    80    82   0.34800  1.0 3.0
   74    77    80    85   0.09700  1.0 1.0
   74    77    80    85   0.15600 -1.0 2.0
   74    77    80    85  -0.50800  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    80   0.34800  1.0 3.0
   76    74    77    78   0.00000  1.0 1.0
   76    74    77    80   0.34800  1.0 3.0
   77    78    83    84   0.00000  1.0 1.0
   77    78    83    54   0.09850  1.0 1.0
   77    78    83    54   0.15250 -1.0 2.0
   77    78    83    54  -0.50650  1.0 3.0
   77    78    83    70   0.39000  1.0 1.0
   77    78    83    70  -0.05800 -1.0 2.0
   77    78    83    70  -0.55150  1.0 3.0
   77    80    85    65  -0.77900  1.0 1.0
   77    80    85    65  -0.36900 -1.0 2.0
   77    80    85    65   0.40400  1.0 3.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    85   0.39000  1.0 1.0
   78    77    80    85  -0.05800 -1.0 2.0
   78    77    80    85  -0.55150  1.0 3.0
   78    83    54    49   0.34400  1.0 1.0
   78    83    54    49   0.09450 -1.0 2.0
   78    83    54    49   0.11100  1.0 3.0
   78    83    54    55   0.15000  1.0 3.0
   78    83    54    57   0.31000  1.0 1.0
   78    83    54    57   0.14700 -1.0 2.0
   78    83    54    57   0.07550  1.0 3.0
   78    83    70    60  -0.82050  1.0 1.0
   78    83    70    60   0.00600 -1.0 2.0
   78    83    70    60   0.04400  1.0 3.0
   79    78    83    84   0.33100  1.0 3.0
   79    78    83    54   0.00000  1.0 1.0
   79    78    83    70   0.00000  1.0 1.0
   83    54   -57    60   0.09700  1.0 1.0
   83    54   -57    60   0.15600 -1.0 2.0
   83    54   -57    60  -0.50800  1.0 3.0
   83    54    57    62   0.09850  1.0 1.0
   83    54    57    62   0.15250 -1.0 2.0
   83    54    57    62  -0.50650  1.0 3.0
   84    83    54    49   0.15000  1.0 3.0
   84    83    54    55   0.15000  1.0 3.0
   84    83    54    57   0.15000  1.0 3.0
   84    83    70    60   0.08050  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    56   0.47050  1.0 1.0
   54    49    51    56   0.03900 -1.0 2.0
   54    49    51    56   0.20100  1.0 3.0
   54    83   -70    60  -0.25900  1.0 1.0
   54    83   -70    60  -0.47000 -1.0 2.0
   54    83   -70    60   0.11750  1.0 3.0
   54    57    60    61  -0.64400  1.0 1.0
   54    57    60    61   0.26850 -1.0 2.0
   54    57   -60    70  -0.15000  1.0 1.0
   54    57   -60    70   0.89550 -1.0 2.0
   54    57   -60    70  -0.06900  1.0 3.0
   54    57    62    63   7.00000 -1.0 2.0
   54    57    62    64   7.00000 -1.0 2.0
   55    54    57    60   0.15000  1.0 3.0
   55    54    57    62   0.00000  1.0 1.0
   57    60   -70    83   2.00000 -1.0 2.0
   60    57    62    63   7.00000 -1.0 2.0
   60    57    62    64   7.00000 -1.0 2.0
   61    60    70    83   3.00000 -1.0 2.0
   70    83    54    49   0.62750  1.0 1.0
   70    83    54    49  -0.30950 -1.0 2.0
   70    83    54    49   0.27300  1.0 3.0
   70    83    54    55   0.23400  1.0 3.0
   70    83   -54    57   0.61850  1.0 1.0
   70    83   -54    57  -0.22750 -1.0 2.0
   70    83   -54    57   0.15300  1.0 3.0
   62    57    60    61   1.00000 -1.0 2.0
   62    57    60    70  -0.56150  1.0 1.0
   62    57    60    70   2.19150 -1.0 2.0
   80    77    78    79   7.00000 -1.0 2.0
   80    77    78    83   7.00000 -1.0 2.0
   80    85    65    56   0.06250  1.0 1.0
   80    85    65    56  -0.01100 -1.0 2.0
   80    85    65    56   0.28050  1.0 3.0
   80    85    65    66   0.37050  1.0 3.0
   80    85    65    71  -0.70900  1.0 1.0
   80    85    65    71  -1.18000 -1.0 2.0
   80    85    65    71   0.91650  1.0 3.0
   81    80    85    65   0.37050  1.0 3.0
   82    80    85    65   0.37050  1.0 3.0
   85    65    71    72  -0.50000  1.0 1.0
   85    65    71    72  -0.73950 -1.0 2.0
   85    65    71    72   0.17150  1.0 3.0
   65    56    58    59   0.15000  1.0 3.0
   65    56    58    67   3.97050  1.0 1.0
   65    56   -58    73   0.02550  1.0 1.0
   65    56   -58    73  -0.02600 -1.0 2.0
   65    56   -58    73   1.20400  1.0 3.0
   65    56   -73    58   0.06250  1.0 1.0
   65    56   -73    58  -0.01100 -1.0 2.0
   65    56   -73    58   0.28050  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   73    56   -58    59   0.23400  1.0 3.0
   73    56   -58    67   0.02550  1.0 1.0
   73    56   -58    67  -0.02600 -1.0 2.0
   73    56   -58    67   1.20400  1.0 3.0
   73    56    65    85   1.11900  1.0 1.0
   73    56    65    85  -1.16350 -1.0 2.0
   73    56    65    85  -0.34150  1.0 3.0
   73    56    65    66   0.23400  1.0 3.0
   73    56    65    71   3.69350  1.0 1.0
   73    56    65    71  -1.82950 -1.0 2.0
   73    58    67    68   0.23400  1.0 3.0
   73    58    67    69   0.23400  1.0 3.0
   73    58    67    74   0.02550  1.0 1.0
   73    58    67    74  -0.02600 -1.0 2.0
   73    58    67    74   1.20400  1.0 3.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    46   0.36750  1.0 3.0
   44    43    47    48   0.19450  1.0 3.0
   45    43    47    48   0.19450  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    46    41    42  10.50000 -1.0 2.0
   74    80    77    78   1.10000 -1.0 2.0
   83    79    78    77   1.10000 -1.0 2.0
   54    60    57    62   1.10000 -1.0 2.0
   57    70    60    61  10.50000 -1.0 2.0
   63    64    62    57   1.10000 -1.0 2.0
END
