* LIGAND DATABASE FILE (OPLS2005)
*
001      85    85    151    207     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02117   106.62715   -13.09423
    3     1 S   H    _H1_     3     1.02055    55.36373    88.42699
    4     1 S   H    _H2_     4     1.02135    56.78577  -114.90233
    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   _C9_    36     1.82183    98.15531   161.81840
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C8_    37     1.49501   109.99616   159.97785
   38    33 S   OS   _O34    81     1.42200   111.22741    38.85840
   39    37 S   CM   _C7_    38     1.34143   122.70171   103.55692
   40    37 S   OS   _O35    76     1.38338   116.90930   -77.58901
   41    38 S   CT   _C11    82     1.42070   111.52898  -178.38954
   42    41 S   HC   _H6_    83     1.09304   109.50669   179.98022
   43    41 S   HC   _H7_    84     1.09306   109.54587    59.17954
   44    41 S   HC   _H8_    85     1.09278   108.99599   -60.45112
   45    39 S   CM   _C6_    39     1.46496   121.75390    -2.05080
   46    39 S   OH   _O36    74     1.38046   122.25478   178.96751
   47    46 S   HO   _H12    75     0.96274   109.78473   178.97741
   48    40 S   CT   _C12    77     1.40507   112.51955    91.14533
   49    48 S   HC   _H9_    78     1.09230   109.54123  -180.00000
   50    48 S   HC   _H10    79     1.09357   109.51564    59.17543
   51    48 S   HC   _H11    80     1.09320   108.97094   -60.40407
   52    45 S   CM   _C5_    40     1.35251   120.84576    13.31858
   53    45 S   CT   _C13    47     1.49221   115.41849  -167.44142
   54    53 S   HC   _H13    48     1.09578   108.68173  -179.20426
   55    53 S   HC   _H14    49     1.09164   108.00121   -63.41694
   56    33 S   CO4  _C10    41     1.52715   107.79515   -77.62897
   57    56 S   O    _O33    42     1.23241   121.00892    81.43550
   58    52 S   CT   _C4_    43     1.50255   126.45116   175.14744
   59    58 S   HC   _H3_    44     1.08656   109.38197    89.97636
   60    58 S   HC   _H4_    45     1.08700   109.36239   -30.17880
   61    58 S   HC   _H5_    46     1.08734   109.33878  -149.78306
   62    53 S   CM   _C14    50     1.50133   111.92568    61.27976
   63    62 S   HC   _H15    51     1.09039   114.27815    30.06745
   64    62 S   CM   _C15    52     1.34813   128.09150  -150.25668
   65    64 S   CT   _C16    53     1.50847   119.86919  -179.82641
   66    65 S   HC   _H16    54     1.09356   110.67706    90.05656
   67    65 S   HC   _H17    55     1.09436   110.28285   -30.09096
   68    65 S   HC   _H18    56     1.09524   112.34359  -149.92212
   69    64 S   CT   _C17    57     1.51410   124.99135    -1.76569
   70    69 S   HC   _H19    58     1.09843   108.08599  -120.00352
   71    69 S   HC   _H20    59     1.09563   111.51660    -5.64733
   72    69 S   CT   _C18    60     1.53390   114.01325   119.29524
   73    72 S   HC   _H21    61     1.09357   110.52216    67.28284
   74    72 S   HC   _H22    62     1.09715   108.22784  -177.91569
   75    72 S   CM   _C19    63     1.50351   112.69539   -59.48243
   76    75 S   HC   _H23    64     1.08956   113.96407   -55.12812
   77    75 S   CM   _C20    65     1.34713   128.12555   125.81574
   78    77 S   CT   _C21    66     1.50585   120.29968   178.96335
   79    78 S   HC   _H24    67     1.09548   112.44270    89.95191
   80    78 S   HC   _H25    68     1.09517   110.22074   -30.11603
   81    78 S   HC   _H26    69     1.09494   110.28706  -149.95564
   82    77 S   CT   _C22    70     1.50214   125.40118    -1.58905
   83    82 S   HC   _H27    71     1.09517   109.98601    90.06812
   84    82 S   HC   _H28    72     1.09131   113.68903  -149.97177
   85    82 S   HC   _H29    73     1.09449   110.06736   -29.21652
  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   9   5   4   3
  15   2   1   1  15   9  12   7   4   2   1   1  15   3   1   3
   2   1   1  10   9   4   3   5   1   3   2   1   1  10   3  11
   7   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    52    56    57    40    38    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    45    52    56    57    58    46    40    48    38    41    42    43    44  
   35    36  
   36  
    0  
   39    45    52    56    57    53    46    47    40    48    49    50    51    38    41  
   41    42    43    44    39    40    52    56    57  
   45    52    56    58    53    54    55    62    46    47    40    48  
   48    49    50    51    45    46    56  
   42    43    44    56  
   43    44  
   44  
    0  
   52    56    57    58    59    60    61    53    54    55    62    63    64    46    47  
   47    52    53  
    0  
   49    50    51  
   50    51  
   51  
    0  
   56    57    58    59    60    61    53    54    55    62  
   54    55    62    63    64    65    69    56    58  
   55    62    63    64  
   62    63    64  
   57    58    59    60    61  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    66    67    68    69    70    71    72    73    74    75  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72    73    74    75    76    77  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    82  
   74    75    76    77  
   75    76    77  
   76    77    78    79    80    81    82    83    84    85  
   77    78    82  
   78    79    80    81    82    83    84    85  
   79    80    81    82    83    84    85  
   80    81    82  
   81    82  
   82  
   83    84    85  
   84    85  
   85  
    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  -0.316400   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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.422000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.522
   33    38   320.000  1.410
   37    39   549.000  1.340
   37    40   440.000  1.360
   39    45   380.000  1.444
   39    46   510.000  1.338
   45    52   549.000  1.340
   45    53   317.000  1.510
   52    56   320.000  1.462
   52    58   317.000  1.510
   56    57   570.000  1.229
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    69   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    82   317.000  1.510
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   46    47   553.000  0.945
   40    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   38    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    40    85.00000  112.85300
   33    56    52    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    38    41    60.00000  109.50000
   37    39    45    70.00000  123.01800
   37    39    46    80.00000  121.38400
   37    40    48    90.00000  111.18400
   39    45    52    70.00000  123.01800
   39    45    53    70.00000  124.00000
   39    46    47    70.00000  107.45700
   45    52    56    65.00000  118.96000
   45    52    58    70.00000  124.00000
   45    53    54    35.00000  109.50000
   45    53    55    35.00000  109.50000
   45    53    62    70.00000  110.12100
   52    56    57    80.00000  123.72100
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   56    33    37    70.00000  109.06800
   58    52    56    65.00000  116.34900
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   53    45    52    70.00000  124.00000
   53    62    63    35.00000  117.00000
   53    62    64    70.00000  124.00000
   55    53    54    33.00000  107.80000
   62    53    54    35.00000  109.50000
   62    53    55    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    69    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    68    35.00000  109.50000
   64    69    70    35.00000  109.50000
   64    69    71    35.00000  109.50000
   64    69    72    70.00000  112.02700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    64    65    65.00000  117.92700
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    70.00000  112.02700
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    35.00000  117.00000
   72    75    77    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    35.00000  109.50000
   75    72    74    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    82    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    80    35.00000  109.50000
   77    78    81    35.00000  109.50000
   77    82    83    35.00000  109.50000
   77    82    84    35.00000  109.50000
   77    82    85    35.00000  109.50000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    65.00000  117.92700
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   46    39    45    80.00000  121.38400
   40    37    39    80.00000  120.01400
   40    48    49    35.00000  109.50000
   40    48    50    35.00000  109.50000
   40    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    56    90.00000  108.74100
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    56    52   0.65300  1.0 1.0
   29    33    56    52  -0.03850 -1.0 2.0
   29    33    56    52   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    38    41   0.14700  1.0 1.0
   29    33    38    41  -1.16150 -1.0 2.0
   29    33    38    41   0.48700  1.0 3.0
   33    37    39    45   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    40    48   2.00000 -1.0 2.0
   33    38    41    42   0.37050  1.0 3.0
   33    38    41    43   0.37050  1.0 3.0
   33    38    41    44   0.37050  1.0 3.0
   37    33    56    52   0.65300  1.0 1.0
   37    33    56    52  -0.03850 -1.0 2.0
   37    33    56    52   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33    38    41  -0.77900  1.0 1.0
   37    33    38    41  -0.36900 -1.0 2.0
   37    33    38    41   0.40400  1.0 3.0
   37    39   -45    52   0.28850  1.0 1.0
   37    39   -45    52   2.61350 -1.0 2.0
   37    39   -45    52   0.78400  1.0 3.0
   37    39    45    53  -0.18600  1.0 3.0
   37    39    46    47  -0.66100  1.0 1.0
   37    39    46    47   1.20850 -1.0 2.0
   37    39    46    47  -0.36000  1.0 3.0
   37    40    48    49   0.08050  1.0 3.0
   37    40    48    50   0.08050  1.0 3.0
   37    40    48    51   0.08050  1.0 3.0
   39    37    40    48  -2.26850  1.0 1.0
   39    37    40    48   3.39050 -1.0 2.0
   39    45    52    56   7.00000 -1.0 2.0
   39    45    52    58   7.00000 -1.0 2.0
   39    45    53    54   0.00000  1.0 1.0
   39    45    53    55   0.00000  1.0 1.0
   39    45    53    62  -0.28300  1.0 1.0
   39    45    53    62   0.26700 -1.0 2.0
   39    45    53    62  -0.63300  1.0 3.0
   45    39    46    47  -0.66100  1.0 1.0
   45    39    46    47   1.20850 -1.0 2.0
   45    39    46    47  -0.36000  1.0 3.0
   45    52   -56    33  -0.33500  1.0 1.0
   45    52   -56    33   1.06600 -1.0 2.0
   45    52   -56    33  -0.14000  1.0 3.0
   45    52    56    57   1.00000 -1.0 2.0
   45    52    58    59   0.00000  1.0 1.0
   45    52    58    60   0.00000  1.0 1.0
   45    52    58    61   0.00000  1.0 1.0
   45    53    62    63   0.00000  1.0 1.0
   45    53    62    64  -0.28300  1.0 1.0
   45    53    62    64   0.26700 -1.0 2.0
   45    53    62    64  -0.63300  1.0 3.0
   52    45    53    54   0.00000  1.0 1.0
   52    45    53    55   0.00000  1.0 1.0
   52    45    53    62  -0.28300  1.0 1.0
   52    45    53    62   0.26700 -1.0 2.0
   52    45    53    62  -0.63300  1.0 3.0
   56    33   -37    39  -0.51250  1.0 1.0
   56    33   -37    39  -0.88800 -1.0 2.0
   56    33   -37    39   0.08850  1.0 3.0
   56    33    37    40   0.09700  1.0 1.0
   56    33    37    40   0.15600 -1.0 2.0
   56    33    37    40  -0.50800  1.0 3.0
   56    33    38    41  -1.11000  1.0 1.0
   56    33    38    41   0.50250 -1.0 2.0
   56    33    38    41   0.47450  1.0 3.0
   56    52    58    59   0.15000  1.0 3.0
   56    52    58    60   0.15000  1.0 3.0
   56    52    58    61   0.15000  1.0 3.0
   58    52    56    33   0.25700  1.0 1.0
   58    52    56    33   0.66200 -1.0 2.0
   58    52    56    33   0.04450  1.0 3.0
   58    52    56    57  -0.64400  1.0 1.0
   58    52    56    57   0.26850 -1.0 2.0
   53    45    52    56   7.00000 -1.0 2.0
   53    45    52    58   7.00000 -1.0 2.0
   53    62    64    65   7.00000 -1.0 2.0
   53    62    64    69   7.00000 -1.0 2.0
   54    53    62    63   0.33100  1.0 3.0
   54    53    62    64   0.00000  1.0 1.0
   55    53    62    63   0.33100  1.0 3.0
   55    53    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    68   0.00000  1.0 1.0
   62    64    69    70   0.00000  1.0 1.0
   62    64    69    71   0.00000  1.0 1.0
   62    64    69    72   0.09850  1.0 1.0
   62    64    69    72   0.15250 -1.0 2.0
   62    64    69    72  -0.50650  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    69   7.00000 -1.0 2.0
   64    69    72    73   0.15000  1.0 3.0
   64    69    72    74   0.15000  1.0 3.0
   64    69    72    75   0.31000  1.0 1.0
   64    69    72    75   0.14700 -1.0 2.0
   64    69    72    75   0.07550  1.0 3.0
   65    64    69    70   0.34800  1.0 3.0
   65    64    69    71   0.34800  1.0 3.0
   65    64    69    72   0.46850  1.0 1.0
   65    64    69    72   0.08550 -1.0 2.0
   65    64    69    72   0.09800  1.0 3.0
   69    64    65    66   0.34800  1.0 3.0
   69    64    65    67   0.34800  1.0 3.0
   69    64    65    68   0.34800  1.0 3.0
   69    72    75    76   0.00000  1.0 1.0
   69    72    75    77   0.09850  1.0 1.0
   69    72    75    77   0.15250 -1.0 2.0
   69    72    75    77  -0.50650  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    77    78   7.00000 -1.0 2.0
   72    75    77    82   7.00000 -1.0 2.0
   73    72    75    76   0.33100  1.0 3.0
   73    72    75    77   0.00000  1.0 1.0
   74    72    75    76   0.33100  1.0 3.0
   74    72    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    80   0.00000  1.0 1.0
   75    77    78    81   0.00000  1.0 1.0
   75    77    82    83   0.00000  1.0 1.0
   75    77    82    84   0.00000  1.0 1.0
   75    77    82    85   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    82   7.00000 -1.0 2.0
   78    77    82    83   0.34800  1.0 3.0
   78    77    82    84   0.34800  1.0 3.0
   78    77    82    85   0.34800  1.0 3.0
   82    77    78    79   0.34800  1.0 3.0
   82    77    78    80   0.34800  1.0 3.0
   82    77    78    81   0.34800  1.0 3.0
   46    39    45    52   0.50950  1.0 1.0
   46    39    45    52   0.56650 -1.0 2.0
   46    39    45    52   0.34050  1.0 3.0
   46    39    45    53   1.08500 -1.0 2.0
   40    37    39    45   7.00000 -1.0 2.0
   40    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    56    52   0.65300  1.0 1.0
   38    33    56    52  -0.03850 -1.0 2.0
   38    33    56    52   0.33900  1.0 3.0
   38    33    56    57   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    39   1.10000 -1.0 2.0
   45    46    39    37   1.10000 -1.0 2.0
   39    53    45    52   1.10000 -1.0 2.0
   56    58    52    45   1.10000 -1.0 2.0
   33    52    56    57  10.50000 -1.0 2.0
   53    63    62    64  15.00000 -1.0 2.0
   65    69    64    62  15.00000 -1.0 2.0
   72    76    75    77  15.00000 -1.0 2.0
   78    82    77    75  15.00000 -1.0 2.0
END
