* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    135    206     391
    1     0 S   NP   _N1_     1    28.84420    95.13007   -20.69311
    2     1 S   H    _HN1     2     1.02836    34.99649   150.48837
    3     1 S   H    _H1_     3     1.02777    85.02845   -78.04061
    4     1 S   H    _H2_     4     1.02956    90.32754    30.35538
    5     1 S   CT   _CA1     5     1.50145   145.50902   158.93058
    6     5 S   HC   _HA1     6     1.09573   105.20039    53.93838
    7     5 S   CO3  _C1_     7     1.53863   112.39132   -66.18088
    8     7 S   O2Z  _O11     8     1.26368   115.01952   -41.38230
    9     7 S   O2Z  _O12     9     1.26232   114.96183   137.69815
   10     5 S   CT   _CB1    10     1.53114   107.40231   171.85789
   11    10 S   HC   HB11    11     1.09817   109.44495   -49.63858
   12    10 S   HC   HB12    12     1.09807   110.36014    66.94278
   13    10 S   CT   _CG1    13     1.52969   112.63763  -170.71592
   14    13 S   HC   HG11    14     1.09523   110.26729   -61.29509
   15    13 S   HC   HG12    15     1.09640   110.07546    57.71018
   16    13 S   C    _CD1    16     1.51870   112.37274   177.94481
   17    16 S   O    _OE1    17     1.22719   123.22579    -9.17556
   18    16 S   N    _N2_    18     1.38568   111.60945   171.49098
   19    18 S   H    _HN2    19     1.01595   118.86227    -0.08393
   20    18 S   CT1  _CA2    20     1.46248   123.70328  -178.02980
   21    20 S   HC   _HA2    21     1.09725   109.40937   -13.87672
   22    20 S   C    _C2_    22     1.53412   108.15529  -129.59900
   23    22 S   O    _O2_    23     1.23012   122.30829  -145.61353
   24    20 S   CT   _CB2    32     1.53461   111.20685   108.40129
   25    24 S   HC   HB21    33     1.09253   109.52288    54.07350
   26    24 S   HC   HB22    34     1.09500   110.81115   172.36987
   27    22 S   N    _N3_    24     1.38530   113.33421    41.77272
   28    27 S   H    _HN3    25     1.01530   118.88200    -0.70137
   29    24 S   S    _SG2    35     1.82567   111.65371   -68.52312
   30    27 S   CT   _CA3    26     1.45444   123.45705   175.14385
   31    30 S   HC   HA31    27     1.09523   109.23160    24.45691
   32    30 S   HC   HA32    28     1.09495   107.12188   141.45284
   33    29 S   CT   _C7_    36     1.83405   100.72070   143.47486
   34    33 S   HC   _H3_    37     1.09033   103.94227    43.75389
   35    30 S   CO3  _C3_    29     1.52923   113.12409   -99.02220
   36    35 S   O2Z  _O31    30     1.26402   115.41183   -44.54028
   37    35 S   O2Z  _O32    31     1.26357   114.98287   136.40519
   38    33 S   CM   _C6_    38     1.51755   107.52377   158.03044
   39    38 S   HC   _H8_    39     1.08983   114.85087    85.23238
   40    33 S   C3T  _C8_    46     1.54530   116.12508   -73.70234
   41    38 S   CMA  _C5_    40     1.35388   129.07898   -97.85468
   42    41 S   OM   _O35    41     1.26272   128.54748  -176.61904
   43    40 S   CT   _C13    47     1.55556   116.40234   137.41283
   44    40 S   O3T  _O33    57     1.43387   115.29554     1.46473
   45    41 S   CT   _C4_    42     1.51882   120.85612     4.27141
   46    45 S   HC   _H5_    43     1.09890   112.05380   140.96142
   47    45 S   HC   _H6_    44     1.09400   112.97215    22.57813
   48    45 S   HC   _H7_    45     1.09676   110.52919   -98.50012
   49    43 S   CT   _C12    48     1.55131   111.83895   176.23839
   50    49 S   HC   _H11    49     1.09865   110.42826  -171.27013
   51    49 S   HC   _H12    50     1.09975   110.30782    73.51705
   52    43 S   CT   _C14    64     1.54393   110.27053    55.37811
   53    52 S   HC   _H13    65     1.09458   111.63157   -69.42376
   54    52 S   HC   _H14    66     1.09596   111.29813   171.47364
   55    52 S   HC   _H15    67     1.09486   111.71150    50.70845
   56    43 S   CT   _C15    68     1.54395   111.23981   -64.96476
   57    56 S   HC   _H16    69     1.09393   112.45549    63.57884
   58    56 S   HC   _H17    70     1.09563   111.10091   -56.99069
   59    56 S   HC   _H18    71     1.09638   111.00372  -176.68914
   60    49 S   CT   _C11    51     1.52169   113.00675   -48.25791
   61    60 S   HC   _H4_    52     1.09464   110.79690   -56.13619
   62    60 S   CT   _C10    53     1.51959   110.28656    66.79252
   63    62 S   HC   _H9_    54     1.09854   110.25533    73.20294
   64    62 S   HC   _H10    55     1.09797   108.12657  -172.62898
   65    60 S   OH   _O34    62     1.42612   108.27040  -173.75540
   66    65 S   HO   _H19    63     0.97253   107.53323  -177.38416
   67    40 S   C3T  _C9_    56     1.56943   122.03541   -63.89447
   68    67 S   CT   _C16    58     1.50258   124.42794     4.89201
   69    68 S   HC   _H20    59     1.08835   114.43532    24.47758
   70    68 S   HC   _H21    60     1.09485   109.87634   -97.01606
   71    68 S   HC   _H22    61     1.09503   110.09768   144.51951
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  11   4  23   5   4  18  12   3   2   1   1
  18   7   6   9   3   2   1   5   2   1   1   8   6   9   4   3
   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    67    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    40    43    49    62    67    44    68    52    56  
   38    39    41    40    43    67    44  
   36    37  
   37  
    0  
   39    41    42    45    46    47    48    40    43    67    44  
   41    42    45    40  
   43    49    50    51    60    62    63    64    67    44    68    69    70    71    52    53    54    55    56    57    58    59    41  
   42    45    46    47    48  
   45    46    47    48  
   49    50    51    60    61    62    67    44    68    65    52    53    54    55    56    57    58    59  
   68    69    70    71    52    56    49    60    62    63    64    67  
   46    47    48  
   47    48  
   48  
    0  
   50    51    60    61    62    63    64    67    65    66    52    53    54    55    56    57    58    59  
   51    60    61    62    65    52    56  
   60    61    62    65    52    56  
   53    54    55    56    57    58    59    60    67  
   54    55    56  
   55    56  
   56  
   57    58    59    60    67  
   58    59  
   59  
    0  
   61    62    63    64    67    68    65    66  
   62    63    64    67    65    66  
   63    64    67    68    69    70    71    65    66  
   64    67    68    65  
   67    68    65  
   66    67  
    0  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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    40   275.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   40    43   275.000  1.510
   40    67   260.000  1.509
   40    44   335.000  1.432
   43    49   268.000  1.529
   43    52   268.000  1.529
   43    56   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    67   275.000  1.510
   67    44   335.000  1.432
   67    68   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   65    66   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    67    60.00000  120.94000
   33    40    44    80.00000  116.47100
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    45    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    45    46    45.00000  110.52000
   41    45    47    45.00000  110.52000
   41    45    48    45.00000  110.52000
   45    41    42    85.00000  112.85300
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   40    33    34    45.00000  109.38400
   40    33    38    70.00000  112.02700
   40    43    49    70.00000  112.37300
   40    43    52    70.00000  112.37300
   40    43    56    70.00000  112.37300
   40    67    62    60.00000  120.94000
   40    67    44    15.00000   60.43100
   40    67    68    60.00000  120.94000
   40    44    67    15.00000   59.14900
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    60    58.35000  112.70000
   43    52    53    37.50000  110.70000
   43    52    54    37.50000  110.70000
   43    52    55    37.50000  110.70000
   43    56    57    37.50000  110.70000
   43    56    58    37.50000  110.70000
   43    56    59    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   49    60    65    50.00000  109.50000
   51    49    50    33.00000  107.80000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    67    70.00000  112.37300
   60    65    66    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    67    44    80.00000  116.47100
   62    67    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   67    40    43    60.00000  120.94000
   67    62    63    45.00000  109.38400
   67    62    64    45.00000  109.38400
   67    68    69    45.00000  109.38400
   67    68    70    45.00000  109.38400
   67    68    71    45.00000  109.38400
   44    40    43    80.00000  116.47100
   44    40    67    15.00000   60.43100
   68    67    44    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   65    60    61    35.00000  109.50000
   65    60    62    50.00000  109.50000
   52    43    49    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    43    49    58.35000  112.70000
   56    43    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    67   0.44750  1.0 1.0
   29    33    40    67  -0.17800 -1.0 2.0
   29    33    40    67   0.20200  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    45   7.00000 -1.0 2.0
   33    40    43    49   0.56750  1.0 1.0
   33    40    43    49  -0.07550 -1.0 2.0
   33    40    43    49   0.20000  1.0 3.0
   33    40    43    52   0.56750  1.0 1.0
   33    40    43    52  -0.07550 -1.0 2.0
   33    40    43    52   0.20000  1.0 3.0
   33    40    43    56   0.56750  1.0 1.0
   33    40    43    56  -0.07550 -1.0 2.0
   33    40    43    56   0.20000  1.0 3.0
   33    40    67    62   0.56750  1.0 1.0
   33    40    67    62  -0.07550 -1.0 2.0
   33    40    67    62   0.20000  1.0 3.0
   33    40   -67    44   0.02550  1.0 1.0
   33    40   -67    44  -0.02600 -1.0 2.0
   33    40   -67    44   1.20400  1.0 3.0
   33    40    67    68   0.56750  1.0 1.0
   33    40    67    68  -0.07550 -1.0 2.0
   33    40    67    68   0.20000  1.0 3.0
   33    40   -44    67   0.06250  1.0 1.0
   33    40   -44    67  -0.01100 -1.0 2.0
   33    40   -44    67   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    43   0.34400  1.0 1.0
   38    33    40    43   0.09450 -1.0 2.0
   38    33    40    43   0.11100  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    33    40    44   0.61850  1.0 1.0
   38    33    40    44  -0.22750 -1.0 2.0
   38    33    40    44   0.15300  1.0 3.0
   38    41    45    46   0.00000  1.0 1.0
   38    41    45    47   0.00000  1.0 1.0
   38    41    45    48   0.00000  1.0 1.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    45   7.00000 -1.0 2.0
   42    41    45    46   0.00000  1.0 1.0
   42    41    45    47   0.00000  1.0 1.0
   42    41    45    48   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   40    43    49    50   0.15000  1.0 3.0
   40    43    49    51   0.15000  1.0 3.0
   40    43    49    60   0.47050  1.0 1.0
   40    43    49    60   0.03900 -1.0 2.0
   40    43    49    60   0.20100  1.0 3.0
   40    43    52    53   0.15000  1.0 3.0
   40    43    52    54   0.15000  1.0 3.0
   40    43    52    55   0.15000  1.0 3.0
   40    43    56    57   0.15000  1.0 3.0
   40    43    56    58   0.15000  1.0 3.0
   40    43    56    59   0.15000  1.0 3.0
   40    67    68    69   0.15000  1.0 3.0
   40    67    68    70   0.15000  1.0 3.0
   40    67    68    71   0.15000  1.0 3.0
   43    40    67    62   0.56750  1.0 1.0
   43    40    67    62  -0.07550 -1.0 2.0
   43    40    67    62   0.20000  1.0 3.0
   43    40   -67    44   0.02550  1.0 1.0
   43    40   -67    44  -0.02600 -1.0 2.0
   43    40   -67    44   1.20400  1.0 3.0
   43    40    67    68   0.56750  1.0 1.0
   43    40    67    68  -0.07550 -1.0 2.0
   43    40    67    68   0.20000  1.0 3.0
   43    40   -44    67   0.06250  1.0 1.0
   43    40   -44    67  -0.01100 -1.0 2.0
   43    40   -44    67   0.28050  1.0 3.0
   43    49    60    61   0.15000  1.0 3.0
   43    49   -60    62   0.56750  1.0 1.0
   43    49   -60    62  -0.07550 -1.0 2.0
   43    49   -60    62   0.20000  1.0 3.0
   43    49    60    65   0.86500  1.0 1.0
   43    49    60    65  -0.17500 -1.0 2.0
   43    49    60    65   0.20800  1.0 3.0
   49    43    52    53   0.15000  1.0 3.0
   49    43    52    54   0.15000  1.0 3.0
   49    43    52    55   0.15000  1.0 3.0
   49    43    56    57   0.15000  1.0 3.0
   49    43    56    58   0.15000  1.0 3.0
   49    43    56    59   0.15000  1.0 3.0
   49    60    62    63   0.15000  1.0 3.0
   49    60    62    64   0.15000  1.0 3.0
   49    60    62    67   0.47050  1.0 1.0
   49    60    62    67   0.03900 -1.0 2.0
   49    60    62    67   0.20100  1.0 3.0
   49    60    65    66  -0.11600  1.0 1.0
   49    60    65    66  -0.09450 -1.0 2.0
   49    60    65    66   0.21250  1.0 3.0
   50    49    60    61   0.15000  1.0 3.0
   50    49    60    62   0.15000  1.0 3.0
   50    49    60    65   0.23400  1.0 3.0
   51    49    60    61   0.15000  1.0 3.0
   51    49    60    62   0.15000  1.0 3.0
   51    49    60    65   0.23400  1.0 3.0
   60    62   -67    40   0.07850  1.0 1.0
   60    62   -67    40  -0.03950 -1.0 2.0
   60    62   -67    40   0.67350  1.0 3.0
   60    62    67    44   0.02550  1.0 1.0
   60    62    67    44  -0.02600 -1.0 2.0
   60    62    67    44   1.20400  1.0 3.0
   60    62    67    68   0.56750  1.0 1.0
   60    62    67    68  -0.07550 -1.0 2.0
   60    62    67    68   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    67   0.15000  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   62    60    65    66  -0.11600  1.0 1.0
   62    60    65    66  -0.09450 -1.0 2.0
   62    60    65    66   0.21250  1.0 3.0
   62    67   -44    40   0.06250  1.0 1.0
   62    67   -44    40  -0.01100 -1.0 2.0
   62    67   -44    40   0.28050  1.0 3.0
   62    67    68    69   0.15000  1.0 3.0
   62    67    68    70   0.15000  1.0 3.0
   62    67    68    71   0.15000  1.0 3.0
   63    62    67    40   0.15000  1.0 3.0
   63    62    67    44   0.23400  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   64    62    67    40   0.15000  1.0 3.0
   64    62    67    44   0.23400  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   67    40   -43    49   0.07850  1.0 1.0
   67    40   -43    49  -0.03950 -1.0 2.0
   67    40   -43    49   0.67350  1.0 3.0
   67    40    43    52   0.07850  1.0 1.0
   67    40    43    52  -0.03950 -1.0 2.0
   67    40    43    52   0.67350  1.0 3.0
   67    40    43    56   0.07850  1.0 1.0
   67    40    43    56  -0.03950 -1.0 2.0
   67    40    43    56   0.67350  1.0 3.0
   44    40    43    49   0.02550  1.0 1.0
   44    40    43    49  -0.02600 -1.0 2.0
   44    40    43    49   1.20400  1.0 3.0
   44    40    43    52   0.02550  1.0 1.0
   44    40    43    52  -0.02600 -1.0 2.0
   44    40    43    52   1.20400  1.0 3.0
   44    40    43    56   0.02550  1.0 1.0
   44    40    43    56  -0.02600 -1.0 2.0
   44    40    43    56   1.20400  1.0 3.0
   44    40   -67    62   0.02550  1.0 1.0
   44    40   -67    62  -0.02600 -1.0 2.0
   44    40   -67    62   1.20400  1.0 3.0
   44    40   -67    68   0.02550  1.0 1.0
   44    40   -67    68  -0.02600 -1.0 2.0
   44    40   -67    68   1.20400  1.0 3.0
   44    67    68    69   0.23400  1.0 3.0
   44    67    68    70   0.23400  1.0 3.0
   44    67    68    71   0.23400  1.0 3.0
   68    67   -44    40   0.06250  1.0 1.0
   68    67   -44    40  -0.01100 -1.0 2.0
   68    67   -44    40   0.28050  1.0 3.0
   65    60    62    63   0.23400  1.0 3.0
   65    60    62    64   0.23400  1.0 3.0
   65    60    62    67   0.86500  1.0 1.0
   65    60    62    67  -0.17500 -1.0 2.0
   65    60    62    67   0.20800  1.0 3.0
   52    43    49    50   0.15000  1.0 3.0
   52    43    49    51   0.15000  1.0 3.0
   52    43    49    60   0.56750  1.0 1.0
   52    43    49    60  -0.07550 -1.0 2.0
   52    43    49    60   0.20000  1.0 3.0
   52    43    56    57   0.15000  1.0 3.0
   52    43    56    58   0.15000  1.0 3.0
   52    43    56    59   0.15000  1.0 3.0
   56    43    49    50   0.15000  1.0 3.0
   56    43    49    51   0.15000  1.0 3.0
   56    43    49    60   0.56750  1.0 1.0
   56    43    49    60  -0.07550 -1.0 2.0
   56    43    49    60   0.20000  1.0 3.0
   56    43    52    53   0.15000  1.0 3.0
   56    43    52    54   0.15000  1.0 3.0
   56    43    52    55   0.15000  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
   33    39    38    41  15.00000 -1.0 2.0
   45    42    41    38  15.00000 -1.0 2.0
END
