* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    131    198     382
    1     0 S   NP   _N1_     1    28.84239    96.39415   -22.61676
    2     1 S   H    _HN1     2     1.02805    77.03568   -10.16508
    3     1 S   H    _H1_     3     1.02949    34.89138   140.05840
    4     1 S   H    _H2_     4     1.02763   102.55081  -116.57182
    5     1 S   CT   _CA1     5     1.50614   138.55351    97.44427
    6     5 S   HC   _HA1     6     1.09661   104.44579    88.50032
    7     5 S   CO3  _C1_     7     1.54588   110.83381   -27.15812
    8     7 S   O2Z  _O11     8     1.26022   116.84508  -126.16269
    9     7 S   O2Z  _O12     9     1.26682   113.73169    52.15765
   10     5 S   CT   _CB1    10     1.53210   106.92741  -155.00756
   11    10 S   HC   HB11    11     1.09832   110.49632   -35.71212
   12    10 S   HC   HB12    12     1.09737   110.27094    81.21350
   13    10 S   CT   _CG1    13     1.52852   111.76566  -155.87539
   14    13 S   HC   HG11    14     1.09537   110.95210   -54.78089
   15    13 S   HC   HG12    15     1.09568   109.07194    64.23797
   16    13 S   C    _CD1    16     1.51658   112.80304  -175.73244
   17    16 S   O    _OE1    17     1.22756   123.28808     7.45717
   18    16 S   N    _N2_    18     1.38551   111.50842  -173.30133
   19    18 S   H    _HN2    19     1.02228   118.82277     4.24948
   20    18 S   CT1  _CA2    20     1.46081   123.74002  -176.87325
   21    20 S   HC   _HA2    21     1.09729   109.21887    -5.85129
   22    20 S   C    _C2_    22     1.53514   109.65598  -121.74002
   23    22 S   O    _O2_    23     1.23107   121.89750  -155.15619
   24    20 S   CT   _CB2    32     1.53419   110.87970   115.76769
   25    24 S   HC   HB21    33     1.09565   109.26875    56.19788
   26    24 S   HC   HB22    34     1.09472   110.93619   175.15402
   27    22 S   N    _N3_    24     1.38398   113.89349    32.61674
   28    27 S   H    _HN3    25     1.01515   118.77170    -3.73318
   29    24 S   S    _SG2    35     1.82817   111.20426   -64.88533
   30    27 S   CT   _CA3    26     1.45363   123.42575   175.14760
   31    30 S   HC   HA31    27     1.09540   108.99931    28.82135
   32    30 S   HC   HA32    28     1.09496   107.19560   145.69907
   33    29 S   CT   _C7_    36     1.84157    99.55408   157.22052
   34    33 S   HC   _H3_    37     1.08843   107.32633   -38.55690
   35    30 S   CO3  _C3_    29     1.52908   113.25815   -94.53921
   36    35 S   O2Z  _O31    30     1.26408   115.51661   -46.01724
   37    35 S   O2Z  _O32    31     1.26396   114.99134   134.98130
   38    33 S   CM   _C8_    38     1.52885   109.89430    82.54975
   39    38 S   CT   _C4_    39     1.53118   114.48493    73.63291
   40    39 S   HC   _H8_    40     1.09634   109.57241   -82.01601
   41    39 S   HC   _H9_    41     1.09597   111.26671   159.87461
   42    38 S   CMA  _C9_    68     1.36187   124.30924  -108.91020
   43    42 S   OM   _O33    69     1.25964   130.02113  -179.27936
   44    39 S   CM   _C5_    42     1.50197   112.58029    39.35218
   45    44 S   HC   _H10    43     1.08474   118.61410   165.41632
   46    42 S   NE   _N5_    70     1.36747   123.00925     1.15182
   47    46 S   H    _H12    71     1.00862   122.87639    -0.76156
   48    46 S   H    _H13    72     1.01180   117.14707   179.34988
   49    44 S   CM   _C6_    44     1.33753   121.09873   -13.83381
   50    49 S   HC   _H11    45     1.08446   121.09079   177.71467
   51    33 S   N*   _N4_    46     1.48011   110.11063  -156.10797
   52    51 S   CO   _C10    47     1.47205   118.63366    90.34205
   53    52 S   HC   _H4_    48     1.09717   108.78143  -140.77206
   54    52 S   CT   _C11    49     1.53576   110.99016    97.04973
   55    54 S   HC   _H5_    50     1.09507   113.44719    12.87294
   56    54 S   CT   _C12    51     1.51558   104.06806  -110.28912
   57    56 S   HC   _H6_    52     1.09468   113.90090  -149.35261
   58    54 S   OH   _O40    66     1.42773   109.73026   133.39206
   59    58 S   HO   _H17    67     0.97279   107.33417   -64.89992
   60    56 S   CT   _C13    53     1.52350   102.39978   -29.21687
   61    60 S   HC   _H7_    54     1.09754   110.24286   -78.88101
   62    56 S   OH   _O39    64     1.42281   110.12992    88.77968
   63    62 S   HO   _H16    65     0.97253   107.78967    61.38713
   64    52 S   OS   _O34    55     1.44068   113.11359   -23.56799
   65    60 S   CT   _C14    56     1.52238   114.76372   155.78635
   66    65 S   HC   _H14    57     1.09423   110.38079    48.52690
   67    65 S   HC   _H15    58     1.09474   111.13139   -73.40031
   68    65 S   OS   _O35    59     1.42602   108.73966   167.20186
   69    68 S   P3   _P1_    60     1.65006   118.13247   176.17490
   70    69 S   O2Z  _O37    61     1.52512   103.66037   175.46421
   71    69 S   O2Z  _O38    62     1.52505   104.74502    55.60683
   72    69 S   O2Z  _O36    63     1.52552   104.28214   -64.89828
  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   8   5   4   3
  16   6   2   1   1  13  10   5   4   6   3   5   3   2   1   1
   6   2   8  12   6  11   7  12   7   4   1   9   6   3   1   4
   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    49    50    51    52    53    54    64    42    43    46  
   38    39    49    51    52    42  
   36    37  
   37  
    0  
   39    40    41    44    45    49    51    52    42    43    46    47    48  
   40    41    44    45    49    50    51    42    43    46  
   41    44    45    49    42  
   44    45    49    42  
   43    46    47    48    44    51  
   46    47    48  
   45    49    50    51    52  
   49    50    51  
   47    48  
   48  
    0  
   50    51    52    53    54    64  
   51    52  
   52    53    54    55    56    60    64    58  
   53    54    55    56    57    60    61    64    65    62    58    59  
   54    55    56    60    64    58  
   55    56    57    60    61    64    65    62    63    58    59  
   56    57    60    64    62    58    59  
   57    60    61    64    65    66    67    68    62    63    58    59  
   60    61    64    65    62    63    58  
   59    60    62    64  
    0  
   61    64    65    66    67    68    69    62    63  
   64    65    66    67    68    62  
   63    64    65  
    0  
   65    66    67    68  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   0.342800   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   47   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   52   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   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   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.080000   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   2.8500   0.1400  -0.760000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.7400   0.2000   1.919900   2.1070   1.8700   0.005000000   0.000000000
   70   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   71   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
   72   2.9800   0.2000  -1.119967   1.6890   1.4900   0.001000000  -0.126889456
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  1.510
   33    51   337.000  1.475
   38    39   317.000  1.510
   38    42   465.000  1.376
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.510
   44    45   340.000  1.080
   44    49   549.000  1.340
   49    50   340.000  1.080
   49    51   448.000  1.365
   51    52   275.000  1.479
   52    53   340.000  1.090
   52    54   250.000  1.527
   52    64   320.000  1.380
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    58   320.000  1.410
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    62   320.000  1.410
   60    61   340.000  1.090
   60    64   320.000  1.410
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   320.000  1.410
   68    69   230.000  1.630
   69    70   525.000  1.516
   69    71   525.000  1.516
   69    72   525.000  1.516
   62    63   553.000  0.945
   58    59   553.000  0.945
   42    43   745.000  1.250
   42    46   415.000  1.382
   46    47   434.000  1.010
   46    48   434.000  1.010
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    75.00000  112.20000
   29    33    51    80.00000  108.62000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    51    49    70.00000  121.20000
   33    51    52    65.00000  120.78000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  110.12100
   38    42    43    65.00000  137.10300
   38    42    46    75.00000  114.40000
   39    44    45    35.00000  117.00000
   39    44    49    70.00000  124.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    49    50    35.00000  120.00000
   44    49    51    70.00000  121.20000
   49    44    45    35.00000  120.00000
   49    51    52    70.00000  121.20000
   51    33    34    35.00000  109.50000
   51    33    38    80.00000  111.76000
   51    49    50    35.00000  119.10000
   51    52    53    55.00000  103.44000
   51    52    54    75.00000  107.44000
   51    52    64   105.00000  106.22000
   52    54    55    45.00000  108.72000
   52    54    56    75.00000  109.43000
   52    54    58    90.00000  111.58700
   52    64    60    60.00000  109.50000
   54    52    53    45.00000  112.01100
   54    56    57    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    56    62    50.00000  109.50000
   54    58    59    55.00000  108.50000
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    50.00000  109.50000
   56    60    65    58.35000  112.70000
   56    62    63    55.00000  108.50000
   60    56    57    37.50000  110.70000
   60    65    66    37.50000  110.70000
   60    65    67    37.50000  110.70000
   60    65    68    50.00000  109.50000
   64    52    53    35.00000  109.50000
   64    52    54    90.00000  108.56700
   64    60    61    35.00000  109.50000
   65    60    61    37.50000  110.70000
   65    60    64    50.00000  109.50000
   65    68    69    80.00000  112.68000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    69    70   100.00000  107.00000
   68    69    71   100.00000  107.00000
   68    69    72   100.00000  107.00000
   71    69    70   140.00000  114.00000
   72    69    70   140.00000  114.00000
   72    69    71   140.00000  114.00000
   62    56    57    35.00000  109.50000
   62    56    60    50.00000  109.50000
   58    54    55    35.00000  109.50000
   58    54    56    50.00000  109.50000
   42    38    39    70.00000  124.00000
   42    46    47    50.00000  121.48000
   42    46    48    50.00000  121.48000
   46    42    43   105.00000  113.92000
   48    46    47    35.00000  109.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    51    49   0.68100  1.0 1.0
   29    33    51    49   0.03350 -1.0 2.0
   29    33    51    49   0.36200  1.0 3.0
   29    33    51    52   0.68100  1.0 1.0
   29    33    51    52   0.03350 -1.0 2.0
   29    33    51    52   0.36200  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.09700  1.0 1.0
   33    38    39    44   0.15600 -1.0 2.0
   33    38    39    44  -0.50800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    51    52    53   0.00000  1.0 1.0
   33    51    52    54   2.08450  1.0 1.0
   33    51    52    54  -0.39300 -1.0 2.0
   33    51    52    54   0.23400  1.0 3.0
   33    51    52    64   0.10350  1.0 1.0
   33    51    52    64  -0.15350 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    51    49   0.00000  1.0 1.0
   34    33    51    52   0.00000  1.0 1.0
   38    33    51    49   0.68100  1.0 1.0
   38    33    51    49   0.03350 -1.0 2.0
   38    33    51    49   0.36200  1.0 3.0
   38    33    51    52   0.68100  1.0 1.0
   38    33    51    52   0.03350 -1.0 2.0
   38    33    51    52   0.36200  1.0 3.0
   38    39    44    45   0.00000  1.0 1.0
   38    39   -44    49  -0.28300  1.0 1.0
   38    39   -44    49   0.26700 -1.0 2.0
   38    39   -44    49  -0.63300  1.0 3.0
   38    42    46    47   1.00000 -1.0 2.0
   38    42    46    48   1.00000 -1.0 2.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    49    50   7.00000 -1.0 2.0
   39    44    49    51   7.00000 -1.0 2.0
   40    39    44    45   0.33100  1.0 3.0
   40    39    44    49   0.00000  1.0 1.0
   41    39    44    45   0.33100  1.0 3.0
   41    39    44    49   0.00000  1.0 1.0
   44    49   -51    33  -0.88150  1.0 1.0
   44    49   -51    33   2.95600 -1.0 2.0
   44    49    51    52  -0.88150  1.0 1.0
   44    49    51    52   2.95600 -1.0 2.0
   45    44    49    50   7.00000 -1.0 2.0
   45    44    49    51   7.00000 -1.0 2.0
   49    51    52    53   0.00000  1.0 1.0
   49    51    52    54   2.08450  1.0 1.0
   49    51    52    54  -0.39300 -1.0 2.0
   49    51    52    54   0.23400  1.0 3.0
   49    51    52    64  -0.28000  1.0 1.0
   49    51    52    64  -1.16550 -1.0 2.0
   50    49    51    33   1.88100 -1.0 2.0
   50    49    51    52   1.88100 -1.0 2.0
   51    33   -38    39   0.09700  1.0 1.0
   51    33   -38    39   0.15600 -1.0 2.0
   51    33   -38    39  -0.50800  1.0 3.0
   51    33    38    42   0.62150  1.0 1.0
   51    33    38    42   0.42850 -1.0 2.0
   51    33    38    42  -0.68200  1.0 3.0
   51    52    54    55   0.15000  1.0 3.0
   51    52    54    56  -0.27100  1.0 1.0
   51    52    54    56  -0.01700 -1.0 2.0
   51    52    54    56  -0.48600  1.0 3.0
   51    52    54    58   2.76900  1.0 1.0
   51    52    54    58  -0.24350 -1.0 2.0
   51    52    54    58  -0.78250  1.0 3.0
   51    52    64    60  -2.37750  1.0 1.0
   51    52    64    60  -0.08150 -1.0 2.0
   51    52    64    60   0.59000  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54   -56    60   3.97050  1.0 1.0
   52    54    56    62   0.86500  1.0 1.0
   52    54    56    62  -0.17500 -1.0 2.0
   52    54    56    62   0.20800  1.0 3.0
   52    54    58    59  -0.11600  1.0 1.0
   52    54    58    59  -0.09450 -1.0 2.0
   52    54    58    59   0.21250  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    58   0.23400  1.0 3.0
   53    52    64    60   0.37050  1.0 3.0
   54    52   -64    60   0.06250  1.0 1.0
   54    52   -64    60  -0.01100 -1.0 2.0
   54    52   -64    60   0.28050  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56   -60    64   0.62750  1.0 1.0
   54    56   -60    64  -0.30950 -1.0 2.0
   54    56   -60    64   0.27300  1.0 3.0
   54    56    60    65   0.56750  1.0 1.0
   54    56    60    65  -0.07550 -1.0 2.0
   54    56    60    65   0.20000  1.0 3.0
   54    56    62    63  -0.11600  1.0 1.0
   54    56    62    63  -0.09450 -1.0 2.0
   54    56    62    63   0.21250  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    56    62   0.23400  1.0 3.0
   55    54    58    59   0.19450  1.0 3.0
   56    54    58    59  -0.11600  1.0 1.0
   56    54    58    59  -0.09450 -1.0 2.0
   56    54    58    59   0.21250  1.0 3.0
   56    60   -64    52   0.06250  1.0 1.0
   56    60   -64    52  -0.01100 -1.0 2.0
   56    60   -64    52   0.28050  1.0 3.0
   56    60    65    66   0.15000  1.0 3.0
   56    60    65    67   0.15000  1.0 3.0
   56    60    65    68   0.62750  1.0 1.0
   56    60    65    68  -0.30950 -1.0 2.0
   56    60    65    68   0.27300  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.23400  1.0 3.0
   57    56    60    65   0.15000  1.0 3.0
   57    56    62    63   0.19450  1.0 3.0
   60    56    62    63  -0.11600  1.0 1.0
   60    56    62    63  -0.09450 -1.0 2.0
   60    56    62    63   0.21250  1.0 3.0
   60    65    68    69  -2.65550  1.0 1.0
   60    65    68    69  -0.22350 -1.0 2.0
   60    65    68    69   0.24150  1.0 3.0
   61    60    64    52   0.37050  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    67   0.15000  1.0 3.0
   61    60    65    68   0.23400  1.0 3.0
   64    52    54    55   0.23400  1.0 3.0
   64    52   -54    56   0.62750  1.0 1.0
   64    52   -54    56  -0.30950 -1.0 2.0
   64    52   -54    56   0.27300  1.0 3.0
   64    52    54    58   3.69350  1.0 1.0
   64    52    54    58  -1.82950 -1.0 2.0
   64    60    65    66   0.23400  1.0 3.0
   64    60    65    67   0.23400  1.0 3.0
   64    60    65    68   1.11900  1.0 1.0
   64    60    65    68  -1.16350 -1.0 2.0
   64    60    65    68  -0.34150  1.0 3.0
   65    60    64    52   0.06250  1.0 1.0
   65    60    64    52  -0.01100 -1.0 2.0
   65    60    64    52   0.28050  1.0 3.0
   65    68    69    70   0.00000  1.0 1.0
   65    68    69    71   0.00000  1.0 1.0
   65    68    69    72   0.00000  1.0 1.0
   66    65    68    69   0.03000  1.0 3.0
   67    65    68    69   0.03000  1.0 3.0
   62    56    60    61   0.23400  1.0 3.0
   62    56    60    64   3.69350  1.0 1.0
   62    56    60    64  -1.82950 -1.0 2.0
   62    56    60    65   0.86500  1.0 1.0
   62    56    60    65  -0.17500 -1.0 2.0
   62    56    60    65   0.20800  1.0 3.0
   58    54    56    57   0.23400  1.0 3.0
   58    54    56    60   0.86500  1.0 1.0
   58    54    56    60  -0.17500 -1.0 2.0
   58    54    56    60   0.20800  1.0 3.0
   58    54    56    62   3.75450  1.0 1.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44  -0.28300  1.0 1.0
   42    38    39    44   0.26700 -1.0 2.0
   42    38    39    44  -0.63300  1.0 3.0
   43    42    46    47   1.00000 -1.0 2.0
   43    42    46    48   1.00000 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   39    45    44    49   1.10000 -1.0 2.0
   51    50    49    44   1.10000 -1.0 2.0
   52    49    51    33   1.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    42    46    47   1.00000 -1.0 2.0
END
