* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    134    194     384
    1     0 S   NP   _N1_     1    29.20424    97.31447   -20.94153
    2     1 S   H    _HN1     2     1.02800    96.38476  -121.21499
    3     1 S   H    _H1_     3     1.02929    68.03478   -14.02399
    4     1 S   H    _H2_     4     1.02826    47.01172   130.28522
    5     1 S   CT   _CA1     5     1.50155   149.56269    79.36178
    6     5 S   HC   _HA1     6     1.09566   105.18058    96.93310
    7     5 S   CO3  _C1_     7     1.53966   112.11394   -23.31039
    8     7 S   O2Z  _O11     8     1.26441   115.15476   -47.62213
    9     7 S   O2Z  _O12     9     1.26195   114.98341   131.10034
   10     5 S   CT   _CB1    10     1.53050   107.33128  -145.09346
   11    10 S   HC   HB11    11     1.09837   109.87958   -46.74990
   12    10 S   HC   HB12    12     1.09694   110.21519    69.77158
   13    10 S   CT   _CG1    13     1.52958   112.50604  -167.43869
   14    13 S   HC   HG11    14     1.09583   110.79829   -58.58922
   15    13 S   HC   HG12    15     1.09637   109.68646    60.56523
   16    13 S   C    _CD1    16     1.51759   111.97572  -178.22811
   17    16 S   O    _OE1    17     1.22771   123.14762    15.13471
   18    16 S   N    _N2_    18     1.38455   112.01306  -166.33649
   19    18 S   H    _HN2    19     1.02094   119.29194     3.92251
   20    18 S   CT1  _CA2    20     1.46225   123.49853  -174.52468
   21    20 S   HC   _HA2    21     1.09737   108.78724    11.49701
   22    20 S   C    _C2_    22     1.53476   110.45603  -104.74232
   23    22 S   O    _O2_    23     1.23147   121.89566  -154.22281
   24    20 S   CT   _CB2    32     1.53381   110.95628   132.33112
   25    24 S   HC   HB21    33     1.09518   109.87878    63.07231
   26    24 S   HC   HB22    34     1.09491   111.45823  -179.07740
   27    22 S   N    _N3_    24     1.38252   114.24355    33.58919
   28    27 S   H    _HN3    25     1.01544   119.57761    -5.14102
   29    24 S   S    _SG2    35     1.82513   111.52006   -55.67375
   30    27 S   CT   _CA3    26     1.45273   123.08783   176.66458
   31    30 S   HC   HA31    27     1.09561   107.69351   -58.79585
   32    30 S   HC   HA32    28     1.09560   107.72804    57.54065
   33    29 S   CT   _C9_    36     1.83894   100.38440   -93.66417
   34    33 S   HC   _H4_    37     1.09430   108.16542    29.09789
   35    30 S   CO3  _C3_    29     1.52935   114.29203   179.34778
   36    35 S   O2Z  _O31    30     1.26353   116.18220    -1.85477
   37    35 S   O2Z  _O32    31     1.26462   114.37957   178.15931
   38    33 S   CT   _C10    38     1.52398   111.63554   -95.66264
   39    38 S   HC   _H5_    39     1.09858   107.42652   162.28286
   40    38 S   CT   _C11    40     1.53775   104.00151   -84.07002
   41    40 S   HC   _H6_    41     1.09725   108.01839  -139.95832
   42    38 S   OH   _O45    74     1.41026   114.35132    44.54044
   43    42 S   HO   _H14    75     0.97344   108.22042  -154.15560
   44    40 S   OS   _O34    42     1.44501   106.43012   -24.41085
   45    40 S   CT   _C12    57     1.52671   117.93292    97.83229
   46    45 S   HC   _H11    58     1.09326   111.39780   -68.44291
   47    45 S   HC   _H12    59     1.09609   109.44984   174.72712
   48    33 S   CO   _C8_    43     1.53764   113.62626   152.93824
   49    48 S   HC   _H3_    44     1.09904   108.02898  -165.55745
   50    45 S   OS   _O35    60     1.41875   110.47211    55.29908
   51    48 S   N*   _N4_    45     1.46535   115.91443   -45.64994
   52    50 S   P2   _P1_    61     1.63674   118.77107  -159.26775
   53    52 S   O2Z  _O37    62     1.51235   107.52918   176.92006
   54    52 S   O2Z  _O36    63     1.51274   108.44030   -50.70344
   55    51 S   CNA  _C5_    46     1.37825   120.89862    95.27609
   56    55 S   HC   _H8_    47     1.08418   117.60805     2.04210
   57    52 S   OS   _O38    64     1.62712    99.12730    63.37950
   58    55 S   CM   _C4_    48     1.33196   121.85705  -176.64351
   59    58 S   HC   _H7_    49     1.08156   123.19062   179.03106
   60    57 S   P2   _P2_    65     1.62655   131.18565   173.77754
   61    60 S   O2Z  _O40    66     1.51191   109.07240    56.34465
   62    60 S   O2Z  _O39    67     1.51363   108.92201   -77.84415
   63    58 S   CDX  _C7_    50     1.48298   116.41340    -1.19665
   64    60 S   OS   _O41    68     1.63060    98.32848   169.37351
   65    63 S   NNC  _N5_    51     1.30445   121.94450     0.72281
   66    63 S   NND  _N6_    54     1.37199   118.57717  -179.37255
   67    66 S   H    _H9_    55     1.01669   122.17515    -8.02439
   68    66 S   H    _H10    56     1.01329   120.19860  -179.34988
   69    64 S   P2   _P3_    69     1.62714   129.73374   164.82148
   70    69 S   O2Z  _O44    70     1.51061   109.92967    47.55145
   71    69 S   O2Z  _O42    71     1.51328   108.69913  -177.95857
   72    51 S   C    _C6_    52     1.40949   118.53938   -81.17896
   73    72 S   O    _O33    53     1.23267   121.24609    -1.26176
   74    69 S   OS   _O43    72     1.63083    98.44848   -65.45521
   75    74 S   HO   _H13    73     0.98105   115.47430    66.84537
  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  10   5   4   3
  14   8   2   1   1  13   7  12   7   4   1   9   8   3   2   8
   3   5   8   7   3   2   8   4   5   7   3   7   3   2   6   5
   5   3   1   1   4   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    49    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    55    72    45    42    43  
   38    39    40    44    48    49    51    42  
   36    37  
   37  
    0  
   39    40    41    44    48    49    51    45    46    47    50    42    43  
   40    41    44    48    45    42    43  
   41    44    48    49    51    45    46    47    50    52    42    43  
   44    48    45    46    47    50    42  
   43    44    45    48  
    0  
   48    49    51    55    72    45    46    47    50  
   46    47    50    52    53    54    57    48  
   47    50    52  
   50    52  
   49    51    55    56    58    65    72    73  
   51    55    72  
   52    53    54    57    60  
   55    56    58    59    63    65    72    73  
   53    54    57    60    61    62    64  
   54    57    60  
   57    60  
   56    58    59    63    65    72    73    66  
   58    59    63    72  
   60    61    62    64    69  
   59    63    65    72    66    67    68  
   63    65    66  
   61    62    64    69    70    71    74  
   62    64    69  
   64    69  
   65    72    73    66    67    68  
   69    70    71    74    75  
   72    73    66    67    68  
   67    68    72  
   68  
    0  
   70    71    74    75  
   71    74    75  
   74    75  
   73  
    0  
   75  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   52   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   53   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   54   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   55   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   57   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   3.7400   0.2000   2.264800   2.1070   1.8700   0.005000000   0.000000000
   61   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   62   2.9800   0.2000  -1.058000   1.6890   1.4900   0.001000000  -0.126889456
   63   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.8500   0.1400  -0.585500   1.5900   1.4000   0.020110767  -0.896042159
   65   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   66   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7400   0.2000   1.263600   2.1070   1.8700   0.005000000   0.000000000
   70   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   71   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   72   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
   74   2.8500   0.1400  -0.692500   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    48   250.000  1.527
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   40    45   268.000  1.529
   44    48   320.000  1.380
   48    49   340.000  1.090
   48    51   275.000  1.479
   51    55   448.000  1.365
   51    72   418.000  1.388
   55    56   367.000  1.080
   55    58   549.000  1.340
   58    59   340.000  1.080
   58    63   427.000  1.433
   63    65   585.000  1.311
   63    66   481.000  1.340
   65    72   457.000  1.358
   72    73   570.000  1.229
   66    67   434.000  1.010
   66    68   434.000  1.010
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   320.000  1.410
   50    52   230.000  1.697
   52    53   525.000  1.480
   52    54   525.000  1.480
   52    57   230.000  1.697
   57    60   230.000  1.697
   60    61   525.000  1.480
   60    62   525.000  1.480
   60    64   230.000  1.697
   64    69   230.000  1.697
   69    70   525.000  1.480
   69    71   525.000  1.480
   69    74   230.000  1.697
   74    75   553.000  0.945
   42    43   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   29    33    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    48    44    90.00000  108.56700
   33    48    49    45.00000  112.01100
   33    48    51    75.00000  107.44000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    50.00000  109.50000
   38    40    45    58.35000  112.70000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    48    60.00000  109.50000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    50    50.00000  109.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    51   105.00000  106.22000
   48    33    34    45.00000  108.72000
   48    33    38    75.00000  109.43000
   48    51    55    70.00000  121.20000
   48    51    72    70.00000  117.60000
   51    48    49    55.00000  103.44000
   51    55    56    35.00000  119.10000
   51    55    58    70.00000  121.20000
   51    72    65    70.00000  118.60000
   51    72    73    80.00000  120.60000
   55    58    59    35.00000  120.00000
   55    58    63    85.00000  117.00000
   58    55    56    35.00000  119.70000
   58    63    65    70.00000  121.02800
   58    63    66    70.00000  120.10000
   63    58    59    35.00000  123.30000
   63    65    72    70.00000  123.15400
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   65    72    73    80.00000  122.50000
   72    51    55    70.00000  121.60000
   66    63    65    70.00000  119.30000
   68    66    67    35.00000  120.00000
   45    40    41    37.50000  110.70000
   45    40    44    50.00000  109.50000
   45    50    52   100.00000  120.50000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    52    53   100.00000  108.23000
   50    52    54   100.00000  108.23000
   50    52    57    45.00000  102.60000
   52    57    60    50.00000  132.62000
   54    52    53   140.00000  119.90000
   57    52    53   100.00000  108.23000
   57    52    54   100.00000  108.23000
   57    60    61   100.00000  108.23000
   57    60    62   100.00000  108.23000
   57    60    64    45.00000  102.60000
   60    64    69    50.00000  132.62000
   62    60    61   140.00000  119.90000
   64    60    61   100.00000  108.23000
   64    60    62   100.00000  108.23000
   64    69    70   100.00000  108.23000
   64    69    71   100.00000  108.23000
   64    69    74    45.00000  102.60000
   69    74    75    45.00000  108.50000
   71    69    70   140.00000  119.90000
   74    69    70   100.00000  108.23000
   74    69    71   100.00000  108.23000
   42    38    39    35.00000  109.50000
   42    38    40    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.56750  1.0 1.0
   29    33    48    51  -0.07550 -1.0 2.0
   29    33    48    51   0.20000  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   0.62750  1.0 1.0
   33    38   -40    44  -0.30950 -1.0 2.0
   33    38   -40    44   0.27300  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    48    51    55   2.08450  1.0 1.0
   33    48    51    55  -0.39300 -1.0 2.0
   33    48    51    55   0.23400  1.0 3.0
   33    48    51    72  -0.43950  1.0 1.0
   33    48    51    72  -0.08100 -1.0 2.0
   33    48    51    72   0.03350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    48    44   0.23400  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    51   0.15000  1.0 3.0
   38    33   -48    44   0.62750  1.0 1.0
   38    33   -48    44  -0.30950 -1.0 2.0
   38    33   -48    44   0.27300  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    51  -0.27100  1.0 1.0
   38    33    48    51  -0.01700 -1.0 2.0
   38    33    48    51  -0.48600  1.0 3.0
   38    40   -44    48   0.06250  1.0 1.0
   38    40   -44    48  -0.01100 -1.0 2.0
   38    40   -44    48   0.28050  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40    45    50   0.62750  1.0 1.0
   38    40    45    50  -0.30950 -1.0 2.0
   38    40    45    50   0.27300  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.23400  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44   -48    33   0.06250  1.0 1.0
   40    44   -48    33  -0.01100 -1.0 2.0
   40    44   -48    33   0.28050  1.0 3.0
   40    44    48    49   0.37050  1.0 3.0
   40    44    48    51  -2.37750  1.0 1.0
   40    44    48    51  -0.08150 -1.0 2.0
   40    44    48    51   0.59000  1.0 3.0
   40    45    50    52  -2.65550  1.0 1.0
   40    45    50    52  -0.22350 -1.0 2.0
   40    45    50    52   0.24150  1.0 3.0
   41    40    44    48   0.37050  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    50   0.23400  1.0 3.0
   44    40    45    46   0.23400  1.0 3.0
   44    40    45    47   0.23400  1.0 3.0
   44    40    45    50   1.11900  1.0 1.0
   44    40    45    50  -1.16350 -1.0 2.0
   44    40    45    50  -0.34150  1.0 3.0
   44    48    51    55  -0.28000  1.0 1.0
   44    48    51    55  -1.16550 -1.0 2.0
   44    48    51    72  -2.75650  1.0 1.0
   44    48    51    72  -1.18150 -1.0 2.0
   44    48    51    72   0.81900  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33   -38    40   3.97050  1.0 1.0
   48    33    38    42   0.86500  1.0 1.0
   48    33    38    42  -0.17500 -1.0 2.0
   48    33    38    42   0.20800  1.0 3.0
   48    51    55    56   1.88100 -1.0 2.0
   48    51    55    58  -0.88150  1.0 1.0
   48    51    55    58   2.95600 -1.0 2.0
   48    51    72    65   3.62500 -1.0 2.0
   48    51    72    73   3.04450 -1.0 2.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    51    72   0.00000  1.0 1.0
   51    55    58    59   0.97550 -1.0 2.0
   51    55    58    63   7.00000 -1.0 2.0
   55    51    72    65   3.62500 -1.0 2.0
   55    51    72    73   2.67200 -1.0 2.0
   55    58   -63    65   7.00000 -1.0 2.0
   55    58    63    66   7.00000 -1.0 2.0
   56    55    58    59   7.00000 -1.0 2.0
   56    55    58    63   7.00000 -1.0 2.0
   58    63    65    72   3.62500 -1.0 2.0
   58    63    66    67   0.70000 -1.0 2.0
   58    63    66    68   0.70000 -1.0 2.0
   59    58    63    65   7.00000 -1.0 2.0
   59    58    63    66   7.00000 -1.0 2.0
   63    65   -72    51   3.62500 -1.0 2.0
   63    65    72    73   3.04450 -1.0 2.0
   65    63    66    67   0.70000 -1.0 2.0
   65    63    66    68   0.70000 -1.0 2.0
   72    51    55    56   1.44600  1.0 1.0
   72    51   -55    58  -0.18900  1.0 1.0
   72    51   -55    58   1.70900 -1.0 2.0
   66    63    65    72   3.62500 -1.0 2.0
   45    40    44    48   0.06250  1.0 1.0
   45    40    44    48  -0.01100 -1.0 2.0
   45    40    44    48   0.28050  1.0 3.0
   45    50    52    53   0.00000  1.0 1.0
   45    50    52    54   0.00000  1.0 1.0
   45    50    52    57   0.05050  1.0 1.0
   45    50    52    57  -1.30700 -1.0 2.0
   45    50    52    57   0.91550  1.0 3.0
   46    45    50    52   0.03000  1.0 3.0
   47    45    50    52   0.03000  1.0 3.0
   50    52    57    60   0.15000  1.0 3.0
   52    57    60    61   0.50000  1.0 3.0
   52    57    60    62   0.50000  1.0 3.0
   52    57    60    64   0.15000  1.0 3.0
   53    52    57    60   0.50000  1.0 3.0
   54    52    57    60   0.50000  1.0 3.0
   57    60    64    69   0.15000  1.0 3.0
   60    64    69    70   0.50000  1.0 3.0
   60    64    69    71   0.50000  1.0 3.0
   60    64    69    74   0.15000  1.0 3.0
   61    60    64    69   0.50000  1.0 3.0
   62    60    64    69   0.50000  1.0 3.0
   64    69    74    75   0.00000  1.0 1.0
   70    69    74    75   0.00000  1.0 1.0
   71    69    74    75   0.00000  1.0 1.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   3.69350  1.0 1.0
   42    38    40    44  -1.82950 -1.0 2.0
   42    38    40    45   0.86500  1.0 1.0
   42    38    40    45  -0.17500 -1.0 2.0
   42    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   55    72    51    48   1.00000 -1.0 2.0
   51    56    55    58   1.10000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    58    63    65  10.50000 -1.0 2.0
   51    65    72    73  10.50000 -1.0 2.0
   68    63    66    67   1.00000 -1.0 2.0
END
