* LIGAND DATABASE FILE (OPLS2005)
*
001      72    73    131    198     382
    1     0 S   NP   _N1_     1    28.53171    96.61197   -23.56346
    2     1 S   H    _HN1     2     1.02793   107.94622   -96.78227
    3     1 S   H    _H1_     3     1.02949    72.47644     7.39112
    4     1 S   H    _H2_     4     1.02827    36.74594   167.14505
    5     1 S   CT   _CA1     5     1.50114   135.76853   108.93776
    6     5 S   HC   _HA1     6     1.09574   105.18591    92.18921
    7     5 S   CO3  _C1_     7     1.53775   112.44756   -28.03683
    8     7 S   O2Z  _O11     8     1.26370   115.01639   -43.40812
    9     7 S   O2Z  _O12     9     1.26238   114.93711   135.67693
   10     5 S   CT   _CB1    10     1.53067   107.40666  -149.86481
   11    10 S   HC   HB11    11     1.09837   109.33441   -49.82403
   12    10 S   HC   HB12    12     1.09812   110.46826    66.76497
   13    10 S   CT   _CG1    13     1.53007   112.63205  -170.79239
   14    13 S   HC   HG11    14     1.09579   110.66551   -66.31994
   15    13 S   HC   HG12    15     1.09669   109.75979    52.92470
   16    13 S   C    _CD1    16     1.51805   112.11894   173.36487
   17    16 S   O    _OE1    17     1.22738   123.21278     8.57178
   18    16 S   N    _N2_    18     1.38598   111.75226  -171.40216
   19    18 S   H    _HN2    19     1.01576   118.95810     1.52560
   20    18 S   CT1  _CA2    20     1.46285   123.51369   177.19216
   21    20 S   HC   _HA2    21     1.09734   109.49689     6.85229
   22    20 S   C    _C2_    22     1.53542   107.88459  -108.71803
   23    22 S   O    _O2_    23     1.23027   122.56833  -140.51325
   24    20 S   CT   _CB2    32     1.53240   111.54959   129.07875
   25    24 S   HC   HB21    33     1.09496   109.91680    56.43430
   26    24 S   HC   HB22    34     1.09527   109.98548   175.55723
   27    22 S   N    _N3_    24     1.38426   113.48836    46.20044
   28    27 S   H    _HN3    25     1.01563   119.60379    -1.96871
   29    24 S   S    _SG2    35     1.82628   111.44736   -64.55524
   30    27 S   CT   _CA3    26     1.45267   123.17211   177.62983
   31    30 S   HC   HA31    27     1.09548   107.41265   -67.22736
   32    30 S   HC   HA32    28     1.09558   108.10996    49.23143
   33    29 S   CT   _C7_    36     1.84380    99.47989  -175.36219
   34    33 S   HC   _H3_    37     1.09117   107.33900    44.82204
   35    30 S   CO3  _C3_    29     1.52955   114.09459   171.30731
   36    35 S   O2Z  _O31    30     1.26375   116.10790    -0.98854
   37    35 S   O2Z  _O32    31     1.26433   114.40829   179.10825
   38    33 S   CM   _C8_    38     1.52981   110.00538   -76.39472
   39    38 S   CT   _C4_    39     1.53129   114.49141   -73.62501
   40    39 S   HC   _H8_    40     1.09594   111.27476  -160.28683
   41    39 S   HC   _H9_    41     1.09636   109.57022    81.62307
   42    38 S   CMA  _C9_    68     1.36198   124.25725   108.96208
   43    42 S   OM   _O33    69     1.25950   130.05171   178.89926
   44    39 S   CM   _C5_    42     1.50158   112.54386   -39.74950
   45    44 S   HC   _H10    43     1.08472   118.65648  -164.88665
   46    42 S   NE   _N5_    70     1.36771   122.99436    -1.91928
   47    46 S   H    _H12    71     1.00805   122.86167    -2.60797
   48    46 S   H    _H13    72     1.01199   117.05319  -178.90783
   49    44 S   CM   _C6_    44     1.33747   121.04869    14.05942
   50    49 S   HC   _H11    45     1.08456   121.08518  -177.22604
   51    33 S   N*   _N4_    46     1.48100   110.15188   162.36691
   52    51 S   CO   _C10    47     1.47060   118.34289   -92.32279
   53    52 S   HC   _H4_    48     1.09746   109.45861   149.49687
   54    52 S   CT   _C11    49     1.52946   111.02209   -87.84543
   55    54 S   HC   _H5_    50     1.09726   110.91327    33.76127
   56    54 S   CT   _C12    51     1.51721   102.13963   150.84367
   57    56 S   HC   _H6_    52     1.09387   112.88947  -160.98440
   58    54 S   OH   _O40    66     1.41634   112.24014   -87.63143
   59    58 S   HO   _H17    67     0.97207   107.42282  -168.25268
   60    56 S   CT   _C13    53     1.52317   100.57824   -39.49389
   61    60 S   HC   _H7_    54     1.09762   110.11513   -75.61834
   62    56 S   OH   _O39    64     1.42518   109.75651    78.11803
   63    62 S   HO   _H16    65     0.97248   107.75220   177.39917
   64    52 S   OS   _O34    55     1.44434   112.79920    31.31102
   65    60 S   CT   _C14    56     1.52027   115.42710   159.17260
   66    65 S   HC   _H14    57     1.09439   110.28746    49.61987
   67    65 S   HC   _H15    58     1.09457   111.37327   -72.18384
   68    65 S   OS   _O35    59     1.42549   108.56569   169.45682
   69    68 S   P3   _P1_    60     1.64989   118.07110  -159.18477
   70    69 S   O2Z  _O37    61     1.52472   103.66993  -175.16937
   71    69 S   O2Z  _O38    62     1.52571   104.30155    65.14375
   72    69 S   O2Z  _O36    63     1.52539   104.52281   -55.20199
  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
