* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    161    252     477
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02097    55.74715  -116.47203
    3     1 S   H    _H1_     3     1.02135   106.68558   -14.93769
    4     1 S   H    _H2_     4     1.02073    56.38246    86.81969
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C23    36     1.80833    98.58774   161.81769
   34    33 S   HC   _H25    37     1.09342   109.25311   -79.21440
   35    33 S   HC   _H26    38     1.09308   109.36437    38.94089
   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   _C22    39     1.48826   110.01780   159.99654
   40    39 S   CM   _C21    40     1.33695   129.45090   -89.63546
   41    40 S   OS   _O37    41     1.39404   114.76052   179.36449
   42    40 S   OH   _O38    85     1.37046   126.12810    -2.83883
   43    42 S   HO   _H27    86     0.96722   110.54905  -180.00000
   44    41 S   CT   _C11    42     1.44776   103.23496   -16.02142
   45    44 S   HC   _H5_    43     1.10375   103.95727   -88.09561
   46    39 S   CT   _C10    44     1.50383   121.56150    88.67551
   47    46 S   HC   _H4_    45     1.09969   107.98759   -54.22560
   48    44 S   CT   _C12    59     1.53572   110.24725   159.06666
   49    48 S   HC   _H6_    60     1.09532   109.03374   177.22420
   50    46 S   CT   _C9_    46     1.54393   114.26412    64.77481
   51    50 S   HC   _H3_    47     1.11163   107.62988   -38.04529
   52    48 S   OH   _O36    61     1.43859   105.90964    63.36577
   53    52 S   HO   _H24    62     0.96642   105.78893    52.69992
   54    50 S   CT   _C15    48     1.54034   118.88578    84.37025
   55    50 S   OS   _O34    71     1.43642   107.86592  -149.57546
   56    54 S   CO4  _C16    49     1.52716   112.00558  -174.54756
   57    56 S   O    _O35    50     1.22165   126.33233    37.03955
   58    54 S   CT   _C19    67     1.54449   113.07357   -58.38932
   59    58 S   HC   _H18    68     1.08239   108.96285    58.72055
   60    58 S   HC   _H19    69     1.08319   108.94830   -61.27785
   61    58 S   HC   _H20    70     1.08354   108.94246   178.79342
   62    55 S   CO4  _C8_    72     1.35765   115.42941    84.10374
   63    62 S   O    _O33    73     1.22318   126.18025    -0.06561
   64    56 S   CM   _C17    51     1.47379   110.65055  -147.14155
   65    64 S   HC   _H16    52     1.07517   126.18308  -165.09840
   66    62 S   CM   _C6_    74     1.49487   109.17689  -179.74744
   67    64 S   CM   _C18    53     1.33544   105.01094    14.24487
   68    67 S   HC   _H17    54     1.08218   121.76119   178.05983
   69    66 S   CM   _C5_    75     1.34641   115.85276  -120.28330
   70    69 S   HC   _H12    76     1.08848   119.45782   178.66441
   71    66 S   CT   _C7_    81     1.50019   118.34028    58.22657
   72    71 S   HC   _H13    82     1.09208   112.98263   -88.34693
   73    71 S   HC   _H14    83     1.09503   110.46964    30.56544
   74    71 S   HC   _H15    84     1.09514   110.36191   150.57450
   75    54 S   CT   _C14    55     1.54989   113.48227    74.86627
   76    75 S   HC   _H8_    56     1.10126   110.01527    38.26620
   77    69 S   CT   _C4_    77     1.49509   127.23205     0.00000
   78    77 S   HC   _H9_    78     1.09483   109.43025   -91.25566
   79    77 S   HC   _H10    79     1.09157   113.74124   148.92979
   80    77 S   HC   _H11    80     1.09486   109.88101    27.17494
   81    75 S   CT   _C13    57     1.54330   115.08364   -80.85884
   82    81 S   HC   _H7_    58     1.09501   111.34105   -50.52780
   83    81 S   CT   _C20    63     1.54432   110.59347  -167.57854
   84    83 S   HC   _H21    64     1.08278   108.99981   -59.43496
   85    83 S   HC   _H22    65     1.08263   108.99607  -179.43698
   86    83 S   HC   _H23    66     1.08344   108.97088    60.49651
  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  13   9  11   3   1  15   7  13   5  14
   6  17   6   5   1  17   8  12   5   8   3   2   1   9   3   6
   3  10   6   3   9   5   4   2   1   1   7   3   3   2   1   1
   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    50    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    50    51    54    48    55    42    43  
   41    44    45    46    47    50    48    42    43  
   44    45    46    47    50    81    48    49    52    42    43  
   43    44    46  
    0  
   45    46    47    50    51    54    75    81    82    48    49    52    53    83    55  
   46    47    50    81    48    49    52  
   47    50    51    54    56    75    81    48    49    52    58    55    62  
   50    51    54    48    55  
   49    52    53    83    84    85    86    50    54    67    75    76    81    82  
   52    53    83    75    81    82  
   51    54    56    57    64    67    75    76    81    58    59    60    61    55    62    63    66  
   54    56    75    58    55    62  
   53    83    75    81    82  
   81  
   56    57    64    65    67    68    75    76    81    82    83    58    59    60    61    55    62  
   62    63    66    69    71    56    58    75  
   57    64    65    67    68    75    76    81    58    59    60    61  
   64    65    67    75    58  
   59    60    61    64    67    75    76    81  
   60    61    75  
   61    75  
   75  
   63    66    69    70    77    71    72    73    74  
   66    69    71  
   65    67    68    75    76    81  
   67    68    75  
   69    70    77    78    79    80    71    72    73    74  
   68    75    76    81    82    83  
   75    76    81  
   70    77    78    79    80    71    72    73    74  
   77    78    79    80    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    81    82    83    84    85    86  
   81    82    83  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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    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    46   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   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    55   320.000  1.410
   54    56   317.000  1.522
   54    75   268.000  1.529
   54    58   268.000  1.529
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    67   549.000  1.340
   67    68   340.000  1.080
   67    75   317.000  1.510
   75    76   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    48   268.000  1.529
   81    83   268.000  1.529
   48    49   340.000  1.090
   48    52   320.000  1.410
   52    53   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   55    62   214.000  1.327
   62    63   570.000  1.229
   62    66   320.000  1.462
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   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    46    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    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    50    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    58.35000  112.70000
   44    48    81    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    52    50.00000  109.50000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    54    58.35000  112.70000
   46    50    55    50.00000  109.50000
   50    46    47    37.50000  110.70000
   50    54    56    63.00000  111.10000
   50    54    75    58.35000  112.70000
   50    54    58    58.35000  112.70000
   50    55    62    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    56    57    80.00000  120.40000
   54    56    64    65.00000  118.62400
   54    75    67    70.00000  112.02700
   54    75    76    37.50000  110.70000
   54    75    81    58.35000  112.70000
   54    58    59    37.50000  110.70000
   54    58    60    37.50000  110.70000
   54    58    61    37.50000  110.70000
   56    64    65    40.00000  117.72500
   56    64    67    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    67    68    35.00000  120.00000
   64    67    75    70.00000  124.00000
   67    64    65    35.00000  120.00000
   67    75    76    35.00000  109.50000
   67    75    81    70.00000  112.02700
   75    54    56    63.00000  111.10000
   75    67    68    35.00000  117.00000
   75    81    82    37.50000  110.70000
   75    81    48    58.35000  112.70000
   75    81    83    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    48    49    37.50000  110.70000
   81    48    52    50.00000  109.50000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    81    82    37.50000  110.70000
   48    52    53    55.00000  108.50000
   52    48    49    35.00000  109.50000
   83    81    82    37.50000  110.70000
   83    81    48    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   58    54    56    63.00000  111.10000
   58    54    75    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    54    50.00000  109.50000
   55    62    63    83.00000  123.40000
   55    62    66    90.00000  111.29400
   62    66    69    65.00000  118.96000
   62    66    71    65.00000  116.34900
   66    62    63    80.00000  123.72100
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   77    69    70    35.00000  117.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   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    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   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    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    50   0.46850  1.0 1.0
   33    39    46    50   0.08550 -1.0 2.0
   33    39    46    50   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   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
   39    46    50    51   0.15000  1.0 3.0
   39    46    50    54   0.34400  1.0 1.0
   39    46    50    54   0.09450 -1.0 2.0
   39    46    50    54   0.11100  1.0 3.0
   39    46    50    55   0.61850  1.0 1.0
   39    46    50    55  -0.22750 -1.0 2.0
   39    46    50    55   0.15300  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    50   0.09850  1.0 1.0
   40    39    46    50   0.15250 -1.0 2.0
   40    39    46    50  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    48  -0.46850  1.0 1.0
   40    41    44    48   0.09300 -1.0 2.0
   40    41    44    48  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    50   0.62750  1.0 1.0
   41    44    46    50  -0.30950 -1.0 2.0
   41    44    46    50   0.27300  1.0 3.0
   41    44    48    81   0.62750  1.0 1.0
   41    44    48    81  -0.30950 -1.0 2.0
   41    44    48    81   0.27300  1.0 3.0
   41    44    48    49   0.23400  1.0 3.0
   41    44    48    52   3.69350  1.0 1.0
   41    44    48    52  -1.82950 -1.0 2.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    54   0.56750  1.0 1.0
   44    46    50    54  -0.07550 -1.0 2.0
   44    46    50    54   0.20000  1.0 3.0
   44    46    50    55   0.62750  1.0 1.0
   44    46    50    55  -0.30950 -1.0 2.0
   44    46    50    55   0.27300  1.0 3.0
   44    48    52    53  -0.11600  1.0 1.0
   44    48    52    53  -0.09450 -1.0 2.0
   44    48    52    53   0.21250  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    48    81   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    52   0.23400  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    48    81   0.56750  1.0 1.0
   46    44    48    81  -0.07550 -1.0 2.0
   46    44    48    81   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    52   0.86500  1.0 1.0
   46    44    48    52  -0.17500 -1.0 2.0
   46    44    48    52   0.20800  1.0 3.0
   46    50    54    56  -0.95700  1.0 1.0
   46    50    54    56  -0.18200 -1.0 2.0
   46    50    54    56   0.29450  1.0 3.0
   46    50    54    75   0.56750  1.0 1.0
   46    50    54    75  -0.07550 -1.0 2.0
   46    50    54    75   0.20000  1.0 3.0
   46    50    54    58   0.56750  1.0 1.0
   46    50    54    58  -0.07550 -1.0 2.0
   46    50    54    58   0.20000  1.0 3.0
   46    50    55    62  -0.25900  1.0 1.0
   46    50    55    62  -0.47000 -1.0 2.0
   46    50    55    62   0.11750  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    54   0.15000  1.0 3.0
   47    46    50    55   0.23400  1.0 3.0
   50    54    56    57   0.30150 -1.0 2.0
   50    54    56    64   0.65300  1.0 1.0
   50    54    56    64  -0.03850 -1.0 2.0
   50    54    56    64   0.33900  1.0 3.0
   50    54    75    67   0.34400  1.0 1.0
   50    54    75    67   0.09450 -1.0 2.0
   50    54    75    67   0.11100  1.0 3.0
   50    54    75    76   0.15000  1.0 3.0
   50    54    75    81   0.56750  1.0 1.0
   50    54    75    81  -0.07550 -1.0 2.0
   50    54    75    81   0.20000  1.0 3.0
   50    54    58    59   0.15000  1.0 3.0
   50    54    58    60   0.15000  1.0 3.0
   50    54    58    61   0.15000  1.0 3.0
   50    55    62    63   3.00000 -1.0 2.0
   50    55    62    66   2.00000 -1.0 2.0
   51    50    54    56  -0.11250  1.0 3.0
   51    50    54    75   0.15000  1.0 3.0
   51    50    54    58   0.15000  1.0 3.0
   51    50    55    62   0.08050  1.0 3.0
   54    50    55    62  -0.25900  1.0 1.0
   54    50    55    62  -0.47000 -1.0 2.0
   54    50    55    62   0.11750  1.0 3.0
   54    56    64    65   0.04550  1.0 1.0
   54    56    64    65   0.83000 -1.0 2.0
   54    56    64    65  -0.04000  1.0 3.0
   54    56   -64    67  -0.33500  1.0 1.0
   54    56   -64    67   1.06600 -1.0 2.0
   54    56   -64    67  -0.14000  1.0 3.0
   54    75    81    82   0.15000  1.0 3.0
   54    75    81    48   0.56750  1.0 1.0
   54    75    81    48  -0.07550 -1.0 2.0
   54    75    81    48   0.20000  1.0 3.0
   54    75    81    83   0.56750  1.0 1.0
   54    75    81    83  -0.07550 -1.0 2.0
   54    75    81    83   0.20000  1.0 3.0
   56    54   -75    67  -0.98800  1.0 1.0
   56    54   -75    67   0.48800 -1.0 2.0
   56    54   -75    67   0.76800  1.0 3.0
   56    54    75    76  -0.11250  1.0 3.0
   56    54    75    81  -0.95700  1.0 1.0
   56    54    75    81  -0.18200 -1.0 2.0
   56    54    75    81   0.29450  1.0 3.0
   56    54    58    59  -0.11250  1.0 3.0
   56    54    58    60  -0.11250  1.0 3.0
   56    54    58    61  -0.11250  1.0 3.0
   56    64    67    68   7.00000 -1.0 2.0
   56    64   -67    75   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    67   1.00000 -1.0 2.0
   64    67   -75    54   0.09850  1.0 1.0
   64    67   -75    54   0.15250 -1.0 2.0
   64    67   -75    54  -0.50650  1.0 3.0
   64    67    75    76   0.00000  1.0 1.0
   64    67    75    81   0.09850  1.0 1.0
   64    67    75    81   0.15250 -1.0 2.0
   64    67    75    81  -0.50650  1.0 3.0
   65    64    67    68   7.00000 -1.0 2.0
   65    64    67    75   7.00000 -1.0 2.0
   67    75    81    82   0.15000  1.0 3.0
   67    75    81    48   0.34400  1.0 1.0
   67    75    81    48   0.09450 -1.0 2.0
   67    75    81    48   0.11100  1.0 3.0
   67    75    81    83   0.34400  1.0 1.0
   67    75    81    83   0.09450 -1.0 2.0
   67    75    81    83   0.11100  1.0 3.0
   68    67    75    54   0.00000  1.0 1.0
   68    67    75    76   0.33100  1.0 3.0
   68    67    75    81   0.00000  1.0 1.0
   75    54    56    57   0.30150 -1.0 2.0
   75    54   -56    64   0.65300  1.0 1.0
   75    54   -56    64  -0.03850 -1.0 2.0
   75    54   -56    64   0.33900  1.0 3.0
   75    54    58    59   0.15000  1.0 3.0
   75    54    58    60   0.15000  1.0 3.0
   75    54    58    61   0.15000  1.0 3.0
   75    81    48    44   0.56750  1.0 1.0
   75    81    48    44  -0.07550 -1.0 2.0
   75    81    48    44   0.20000  1.0 3.0
   75    81    48    49   0.15000  1.0 3.0
   75    81    48    52   0.86500  1.0 1.0
   75    81    48    52  -0.17500 -1.0 2.0
   75    81    48    52   0.20800  1.0 3.0
   75    81    83    84   0.15000  1.0 3.0
   75    81    83    85   0.15000  1.0 3.0
   75    81    83    86   0.15000  1.0 3.0
   76    75    81    82   0.15000  1.0 3.0
   76    75    81    48   0.15000  1.0 3.0
   76    75    81    83   0.15000  1.0 3.0
   81    48    52    53  -0.11600  1.0 1.0
   81    48    52    53  -0.09450 -1.0 2.0
   81    48    52    53   0.21250  1.0 3.0
   82    81    48    44   0.15000  1.0 3.0
   82    81    48    49   0.15000  1.0 3.0
   82    81    48    52   0.23400  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   48    44    46    39   0.34400  1.0 1.0
   48    44    46    39   0.09450 -1.0 2.0
   48    44    46    39   0.11100  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.56750  1.0 1.0
   48    44    46    50  -0.07550 -1.0 2.0
   48    44    46    50   0.20000  1.0 3.0
   48    81    83    84   0.15000  1.0 3.0
   48    81    83    85   0.15000  1.0 3.0
   48    81    83    86   0.15000  1.0 3.0
   49    48    52    53   0.19450  1.0 3.0
   83    81    48    44   0.56750  1.0 1.0
   83    81    48    44  -0.07550 -1.0 2.0
   83    81    48    44   0.20000  1.0 3.0
   83    81    48    49   0.15000  1.0 3.0
   83    81    48    52   0.86500  1.0 1.0
   83    81    48    52  -0.17500 -1.0 2.0
   83    81    48    52   0.20800  1.0 3.0
   58    54    56    57   0.30150 -1.0 2.0
   58    54    56    64   0.65300  1.0 1.0
   58    54    56    64  -0.03850 -1.0 2.0
   58    54    56    64   0.33900  1.0 3.0
   58    54    75    67   0.34400  1.0 1.0
   58    54    75    67   0.09450 -1.0 2.0
   58    54    75    67   0.11100  1.0 3.0
   58    54    75    76   0.15000  1.0 3.0
   58    54    75    81   0.56750  1.0 1.0
   58    54    75    81  -0.07550 -1.0 2.0
   58    54    75    81   0.20000  1.0 3.0
   55    50    54    56  -0.09450  1.0 1.0
   55    50    54    56  -1.12950 -1.0 2.0
   55    50    54    56   0.54000  1.0 3.0
   55    50    54    75   0.62750  1.0 1.0
   55    50    54    75  -0.30950 -1.0 2.0
   55    50    54    75   0.27300  1.0 3.0
   55    50    54    58   0.62750  1.0 1.0
   55    50    54    58  -0.30950 -1.0 2.0
   55    50    54    58   0.27300  1.0 3.0
   55    62    66    69  -0.56150  1.0 1.0
   55    62    66    69   2.19150 -1.0 2.0
   55    62    66    71  -0.15000  1.0 1.0
   55    62    66    71   0.89550 -1.0 2.0
   55    62    66    71  -0.06900  1.0 3.0
   62    66    69    70   7.00000 -1.0 2.0
   62    66    69    77   7.00000 -1.0 2.0
   62    66    71    72   0.15000  1.0 3.0
   62    66    71    73   0.15000  1.0 3.0
   62    66    71    74   0.15000  1.0 3.0
   63    62    66    69   1.00000 -1.0 2.0
   63    62    66    71  -0.64400  1.0 1.0
   63    62    66    71   0.26850 -1.0 2.0
   66    69    77    78   0.00000  1.0 1.0
   66    69    77    79   0.00000  1.0 1.0
   66    69    77    80   0.00000  1.0 1.0
   69    66    71    72   0.00000  1.0 1.0
   69    66    71    73   0.00000  1.0 1.0
   69    66    71    74   0.00000  1.0 1.0
   70    69    77    78   0.33100  1.0 3.0
   70    69    77    79   0.33100  1.0 3.0
   70    69    77    80   0.33100  1.0 3.0
   71    66    69    70   7.00000 -1.0 2.0
   71    66    69    77   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    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   54    64    56    57  10.50000 -1.0 2.0
   56    65    64    67   1.10000 -1.0 2.0
   75    68    67    64   1.10000 -1.0 2.0
   55    66    62    63  10.50000 -1.0 2.0
   62    71    66    69  15.00000 -1.0 2.0
   77    70    69    66  15.00000 -1.0 2.0
END
