* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    148    219     424
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02120    66.48644  -101.52310
    3     1 S   H    _H1_     3     1.02076   105.16306     2.55574
    4     1 S   H    _H2_     4     1.02084    46.23647   104.20540
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C15    36     1.80581    98.12700   180.00000
   34    33 S   HC   _H7_    37     1.09574   109.47767    44.42119
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO3  _C16    38     1.53716   102.81458   160.00758
   39    38 S   O2Z  _O42    39     1.26358   116.32854    62.98318
   40    38 S   O2Z  _O41    40     1.26574   114.68619  -116.03412
   41    33 S   CT   _C14    41     1.52048   109.45010   -76.37037
   42    41 S   HC   _H14    42     1.09600   111.13630   -75.63771
   43    41 S   HC   _H15    43     1.09486   112.80041    46.72963
   44    41 S   OS   _O40    44     1.42511   108.55018   166.56175
   45    44 S   P2   _P2_    45     1.63172   118.99696  -179.97202
   46    45 S   O2Z  _O39    46     1.51357   108.01497   179.95577
   47    45 S   O2Z  _O38    47     1.51320   109.62527   -46.70482
   48    45 S   OS   _O37    48     1.63351    99.29195    67.11482
   49    48 S   P2   _P1_    49     1.63430   129.93038    60.01707
   50    49 S   O2Z  _O36    50     1.51277   108.31108    67.19316
   51    49 S   O2Z  _O35    51     1.51393   108.71257   -65.65729
   52    49 S   OS   _O34    52     1.63549    99.20333  -179.97202
   53    52 S   CT   _C13    53     1.41757   119.13840    67.14333
   54    53 S   HC   _H12    54     1.09354   108.84024   -29.43860
   55    53 S   HC   _H13    55     1.09395   108.86373    89.41184
   56    53 S   CT   _C12    56     1.52329   108.97709  -150.02211
   57    56 S   HC   _H6_    57     1.09416   109.40027   -34.50622
   58    56 S   CT   _C11    58     1.52213   113.31481  -160.48144
   59    58 S   HC   _H5_    59     1.09371   114.79346    36.96541
   60    58 S   CT   _C10    60     1.51498   102.12937   -86.23432
   61    60 S   HC   _H4_    61     1.09728   109.58869    81.62657
   62    58 S   OH   _O43    81     1.42755   108.76328   157.96791
   63    62 S   HO   _H16    82     0.96924   106.43357   -69.04580
   64    60 S   CO   _C9_    62     1.52431   102.13794   -37.05723
   65    64 S   HC   _H3_    63     1.09587   111.55336   -87.61061
   66    60 S   OH   _O44    79     1.41542   111.81912  -158.12796
   67    66 S   HO   _H17    80     0.97301   107.16252   -60.02205
   68    64 S   N*   _N5_    64     1.46887   108.84267   155.89583
   69    56 S   OS   _O33    78     1.44377   108.25035    82.51469
   70    68 S   CRAB _C6_    65     1.54968   123.42133   -59.93528
   71    70 S   HA   _H9_    66     1.09863   123.99062     0.00000
   72    70 S   NNA  _N6_    67     1.29720   111.40250  -179.96574
   73    72 S   C56B _C7_    68     1.38175   104.13138     0.03426
   74    73 S   CA   _C8_    69     1.34497   130.20615  -179.97202
   75    74 S   NB   _N7_    70     1.39131   118.30602   179.94766
   76    74 S   NND  _N8_    75     1.37374   119.97773    -0.01978
   77    76 S   H    _H10    76     0.99227   118.12594    -0.00000
   78    76 S   H    _H11    77     0.99173   118.14855   180.00000
   79    75 S   CQ   _C4_    71     1.30250   120.41817    -0.00000
   80    79 S   HA   _H8_    72     1.10196   118.59857  -180.00000
   81    79 S   NB   _N4_    73     1.33369   130.02774     0.02798
   82    68 S   C56A _C5_    74     1.23439   130.96332   120.13281
  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
   9   7   2   1   1   6   2   1   7   3   2   5   7   3   2   5
   7   3   2   7  10   5   4  12   6  11   7  11   7   4   1  11
   5   3   1   9   2   6   3   6   8   8   7   4   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45  
   38    39    40    41    42    43    44  
   36    37  
   37  
    0  
   39    40    41    42    43    44  
   40    41  
   41  
   42    43    44    45    46    47    48  
   43    44    45  
   44    45  
   45    46    47    48    49  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49    50    51    52    53  
   50    51    52    53    54    55    56  
   51    52    53  
   52    53  
   53    54    55    56    57    58    69  
   54    55    56    57    58    59    60    64    69    62  
   55    56    57    58    69  
   56    57    58    69  
   57    58    59    60    61    64    65    68    69    66    62    63  
   58    59    60    64    69    62  
   59    60    61    64    65    68    69    66    67    62    63  
   60    61    64    69    66    62    63  
   61    64    65    68    70    82    69    66    67    62    63  
   64    65    68    69    66    67    62  
   63    64    66    69  
    0  
   65    68    70    71    72    73    81    82    69    66    67  
   68    70    82    69    66  
   67    68    69  
    0  
   70    71    72    73    74    79    81    82    69  
   70    82  
   71    72    73    74    81    82  
   72    73    82  
   73    74    75    81    82    76  
   74    75    79    81    82    76    77    78  
   75    79    80    81    82    76    77    78  
   79    80    81    82    76    77    78  
   77    78    79    82  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.007500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   46   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   47   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   48   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   49   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   50   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   51   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   52   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660   0.080000   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   69   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   72   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   73   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   77   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   81   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   82   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    41   268.000  1.529
   38    39   656.000  1.250
   38    40   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   320.000  1.410
   44    45   230.000  1.697
   45    46   525.000  1.480
   45    47   525.000  1.480
   45    48   230.000  1.697
   48    49   230.000  1.697
   49    50   525.000  1.480
   49    51   525.000  1.480
   49    52   230.000  1.697
   52    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    69   320.000  1.410
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   320.000  1.410
   60    61   340.000  1.090
   60    64   250.000  1.527
   60    66   320.000  1.410
   64    65   340.000  1.090
   64    68   275.000  1.479
   64    69   320.000  1.380
   68    70   440.000  1.371
   68    82   436.000  1.374
   70    71   367.000  1.080
   70    72   529.000  1.304
   72    73   414.000  1.391
   73    74   469.000  1.404
   73    82   447.000  1.419
   74    75   483.000  1.339
   74    76   481.000  1.340
   75    79   502.000  1.324
   79    80   367.000  1.080
   79    81   502.000  1.324
   81    82   461.000  1.354
   76    77   434.000  1.010
   76    78   434.000  1.010
   66    67   553.000  0.945
   62    63   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  116.78000
   29    33    41    75.00000  111.63000
   33    38    39    70.00000  117.00000
   33    38    40    70.00000  117.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    50.00000  109.50000
   38    33    34    35.00000  109.50000
   40    38    39    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    70.00000  109.69300
   41    44    45   100.00000  120.50000
   43    41    42    33.00000  107.80000
   44    41    42    35.00000  109.50000
   44    41    43    35.00000  109.50000
   44    45    46   100.00000  108.23000
   44    45    47   100.00000  108.23000
   44    45    48    45.00000  102.60000
   45    48    49    50.00000  132.62000
   47    45    46   140.00000  119.90000
   48    45    46   100.00000  108.23000
   48    45    47   100.00000  108.23000
   48    49    50   100.00000  108.23000
   48    49    51   100.00000  108.23000
   48    49    52    45.00000  102.60000
   49    52    53   100.00000  120.50000
   51    49    50   140.00000  119.90000
   52    49    50   100.00000  108.23000
   52    49    51   100.00000  108.23000
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   52    53    56    50.00000  109.50000
   53    56    57    37.50000  110.70000
   53    56    58    58.35000  112.70000
   53    56    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    58.35000  112.70000
   56    58    62    50.00000  109.50000
   56    69    64    60.00000  109.50000
   58    56    57    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    64    75.00000  109.43000
   58    60    66    50.00000  109.50000
   58    62    63    55.00000  108.50000
   60    58    59    37.50000  110.70000
   60    64    65    45.00000  112.01100
   60    64    68    75.00000  107.44000
   60    64    69    90.00000  108.56700
   60    66    67    55.00000  108.50000
   64    60    61    45.00000  108.72000
   64    68    70    70.00000  128.80000
   64    68    82    70.00000  125.80000
   68    64    65    55.00000  103.44000
   68    70    71    35.00000  123.05000
   68    70    72    70.00000  113.90000
   68    82    73    70.00000  106.20000
   68    82    81    70.00000  126.20000
   70    72    73    70.00000  103.80000
   72    70    71    35.00000  123.05000
   72    73    74    70.00000  132.40000
   72    73    82    70.00000  110.40000
   73    74    75    70.00000  117.30000
   73    74    76    70.00000  123.50000
   73    82    81    70.00000  127.70000
   74    75    79    70.00000  118.60000
   74    76    77    35.00000  120.00000
   74    76    78    35.00000  120.00000
   75    79    80    35.00000  115.45000
   75    79    81    70.00000  129.10000
   79    81    82    70.00000  111.00000
   81    79    80    35.00000  115.45000
   82    68    70    70.00000  105.40000
   82    73    74    85.00000  116.20000
   76    74    75    70.00000  119.30000
   78    76    77    35.00000  120.00000
   69    56    57    35.00000  109.50000
   69    56    58    50.00000  109.50000
   69    64    65    35.00000  109.50000
   69    64    68   105.00000  106.22000
   66    60    61    35.00000  109.50000
   66    60    64    90.00000  111.58700
   62    58    59    35.00000  109.50000
   62    58    60    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.30150 -1.0 2.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.56750  1.0 1.0
   29    33    41    44  -0.07550 -1.0 2.0
   29    33    41    44   0.20000  1.0 3.0
   33    41    44    45  -2.65550  1.0 1.0
   33    41    44    45  -0.22350 -1.0 2.0
   33    41    44    45   0.24150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    44   0.23400  1.0 3.0
   38    33    41    42  -0.11250  1.0 3.0
   38    33    41    43  -0.11250  1.0 3.0
   38    33    41    44  -3.35100  1.0 1.0
   38    33    41    44  -0.37050 -1.0 2.0
   38    33    41    44   0.22400  1.0 3.0
   41    33    38    39   0.41150 -1.0 2.0
   41    33    38    40   0.41150 -1.0 2.0
   41    44    45    46   0.00000  1.0 1.0
   41    44    45    47   0.00000  1.0 1.0
   41    44    45    48   0.05050  1.0 1.0
   41    44    45    48  -1.30700 -1.0 2.0
   41    44    45    48   0.91550  1.0 3.0
   42    41    44    45   0.03000  1.0 3.0
   43    41    44    45   0.03000  1.0 3.0
   44    45    48    49   0.15000  1.0 3.0
   45    48    49    50   0.50000  1.0 3.0
   45    48    49    51   0.50000  1.0 3.0
   45    48    49    52   0.15000  1.0 3.0
   46    45    48    49   0.50000  1.0 3.0
   47    45    48    49   0.50000  1.0 3.0
   48    49    52    53   0.05050  1.0 1.0
   48    49    52    53  -1.30700 -1.0 2.0
   48    49    52    53   0.91550  1.0 3.0
   49    52    53    54   0.03000  1.0 3.0
   49    52    53    55   0.03000  1.0 3.0
   49    52    53    56  -2.65550  1.0 1.0
   49    52    53    56  -0.22350 -1.0 2.0
   49    52    53    56   0.24150  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   51    49    52    53   0.00000  1.0 1.0
   52    53    56    57   0.23400  1.0 3.0
   52    53    56    58   0.62750  1.0 1.0
   52    53    56    58  -0.30950 -1.0 2.0
   52    53    56    58   0.27300  1.0 3.0
   52    53    56    69   1.11900  1.0 1.0
   52    53    56    69  -1.16350 -1.0 2.0
   52    53    56    69  -0.34150  1.0 3.0
   53    56    58    59   0.15000  1.0 3.0
   53    56    58    60   0.56750  1.0 1.0
   53    56    58    60  -0.07550 -1.0 2.0
   53    56    58    60   0.20000  1.0 3.0
   53    56    58    62   0.86500  1.0 1.0
   53    56    58    62  -0.17500 -1.0 2.0
   53    56    58    62   0.20800  1.0 3.0
   53    56    69    64   0.06250  1.0 1.0
   53    56    69    64  -0.01100 -1.0 2.0
   53    56    69    64   0.28050  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    69   0.23400  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    69   0.23400  1.0 3.0
   56    58    60    61   0.15000  1.0 3.0
   56    58   -60    64   3.97050  1.0 1.0
   56    58    60    66   0.86500  1.0 1.0
   56    58    60    66  -0.17500 -1.0 2.0
   56    58    60    66   0.20800  1.0 3.0
   56    58    62    63  -0.11600  1.0 1.0
   56    58    62    63  -0.09450 -1.0 2.0
   56    58    62    63   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    62   0.23400  1.0 3.0
   57    56    69    64   0.37050  1.0 3.0
   58    56   -69    64   0.06250  1.0 1.0
   58    56   -69    64  -0.01100 -1.0 2.0
   58    56   -69    64   0.28050  1.0 3.0
   58    60    64    65   0.15000  1.0 3.0
   58    60    64    68  -0.64600  1.0 1.0
   58    60    64    68   0.58400 -1.0 2.0
   58    60   -64    69   0.62750  1.0 1.0
   58    60   -64    69  -0.30950 -1.0 2.0
   58    60   -64    69   0.27300  1.0 3.0
   58    60    66    67  -0.11600  1.0 1.0
   58    60    66    67  -0.09450 -1.0 2.0
   58    60    66    67   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    64   0.15000  1.0 3.0
   59    58    60    66   0.23400  1.0 3.0
   59    58    62    63   0.19450  1.0 3.0
   60    58    62    63  -0.11600  1.0 1.0
   60    58    62    63  -0.09450 -1.0 2.0
   60    58    62    63   0.21250  1.0 3.0
   60    64    68    70   1.10250  1.0 1.0
   60    64    68    70   0.01650 -1.0 2.0
   60    64    68    70   0.39100  1.0 3.0
   60    64    68    82   1.10250  1.0 1.0
   60    64    68    82   0.01650 -1.0 2.0
   60    64    68    82   0.39100  1.0 3.0
   60    64   -69    56   0.06250  1.0 1.0
   60    64   -69    56  -0.01100 -1.0 2.0
   60    64   -69    56   0.28050  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    69   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67  -0.11600  1.0 1.0
   64    60    66    67  -0.09450 -1.0 2.0
   64    60    66    67   0.21250  1.0 3.0
   64    68    70    71   3.62500 -1.0 2.0
   64    68    70    72   3.62500 -1.0 2.0
   64    68    82    73   0.81400  1.0 1.0
   64    68    82    73   1.55550 -1.0 2.0
   64    68    82    81   3.62500 -1.0 2.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    82   0.00000  1.0 1.0
   65    64    69    56   0.37050  1.0 3.0
   68    64    69    56  -2.37750  1.0 1.0
   68    64    69    56  -0.08150 -1.0 2.0
   68    64    69    56   0.59000  1.0 3.0
   68    70   -72    73   3.62500 -1.0 2.0
   70    68   -82    73   0.70250  1.0 1.0
   70    68   -82    73   1.56150 -1.0 2.0
   70    68    82    81   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72   -73    82   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   72    73    74    75   3.62500 -1.0 2.0
   72    73    74    76   3.62500 -1.0 2.0
   72    73   -82    68   3.62500 -1.0 2.0
   72    73    82    81   3.62500 -1.0 2.0
   73    74    75    79   3.62500 -1.0 2.0
   73    74    76    77   0.70000 -1.0 2.0
   73    74    76    78   0.70000 -1.0 2.0
   74    73    82    68   3.00000 -1.0 2.0
   74    73    82    81   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   74    75   -79    81   3.62500 -1.0 2.0
   75    74    76    77   0.70000 -1.0 2.0
   75    74    76    78   0.70000 -1.0 2.0
   75    79    81    82   3.62500 -1.0 2.0
   79    81    82    68   3.62500 -1.0 2.0
   79    81   -82    73   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   82    68    70    71   3.62500 -1.0 2.0
   82    68   -70    72   3.62500 -1.0 2.0
   82    73   -74    75   3.62500 -1.0 2.0
   82    73    74    76   3.62500 -1.0 2.0
   76    74    75    79   3.62500 -1.0 2.0
   69    56    58    59   0.23400  1.0 3.0
   69    56   -58    60   0.62750  1.0 1.0
   69    56   -58    60  -0.30950 -1.0 2.0
   69    56   -58    60   0.27300  1.0 3.0
   69    56    58    62   3.69350  1.0 1.0
   69    56    58    62  -1.82950 -1.0 2.0
   69    64    68    70   0.10350  1.0 1.0
   69    64    68    70  -0.15350 -1.0 2.0
   69    64    68    82   0.10350  1.0 1.0
   69    64    68    82  -0.15350 -1.0 2.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68   2.76900  1.0 1.0
   66    60    64    68  -0.24350 -1.0 2.0
   66    60    64    68  -0.78250  1.0 3.0
   66    60    64    69   3.69350  1.0 1.0
   66    60    64    69  -1.82950 -1.0 2.0
   62    58    60    61   0.23400  1.0 3.0
   62    58    60    64   0.86500  1.0 1.0
   62    58    60    64  -0.17500 -1.0 2.0
   62    58    60    64   0.20800  1.0 3.0
   62    58    60    66   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   39    33    38    40  10.50000 -1.0 2.0
   70    82    68    64   4.00000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    82    73    72   4.00000 -1.0 2.0
   75    76    74    73   4.00000 -1.0 2.0
   81    80    79    75   1.10000 -1.0 2.0
   73    81    82    68   4.00000 -1.0 2.0
   78    74    76    77   1.00000 -1.0 2.0
END
