* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    138    222     412
    1     0 S   NP   _N1_     1    28.35476    95.52869   -23.97640
    2     1 S   H    _HN1     2     1.02957    86.92874   -25.33370
    3     1 S   H    _H1_     3     1.02837    23.39246   124.28965
    4     1 S   H    _H2_     4     1.02777   104.22514  -133.48703
    5     1 S   CT   _CA1     5     1.50127   130.80417    89.18911
    6     5 S   HC   _HA1     6     1.09564   105.24578    73.36379
    7     5 S   CO3  _C1_     7     1.53856   112.34935   -46.95016
    8     7 S   O2Z  _O11     8     1.26387   115.02132   -42.51373
    9     7 S   O2Z  _O12     9     1.26228   114.93518   136.63966
   10     5 S   CT   _CB1    10     1.53083   107.42783  -168.56334
   11    10 S   HC   HB11    11     1.09835   109.61090   -48.93622
   12    10 S   HC   HB12    12     1.09745   110.21676    67.46365
   13    10 S   CT   _CG1    13     1.53055   112.69613  -169.78835
   14    13 S   HC   HG11    14     1.09546   110.86754   -60.67592
   15    13 S   HC   HG12    15     1.09654   109.67764    58.46087
   16    13 S   C    _CD1    16     1.51825   112.19107   179.21615
   17    16 S   O    _OE1    17     1.22762   123.22896     8.77469
   18    16 S   N    _N2_    18     1.38559   111.83935  -171.86636
   19    18 S   H    _HN2    19     1.01557   119.12404     4.23540
   20    18 S   CT1  _CA2    20     1.45767   122.73921   177.69480
   21    20 S   HC   _HA2    21     1.09582   108.76977    27.11387
   22    20 S   C    _C2_    22     1.52965   107.01597   -89.62458
   23    22 S   O    _O2_    23     1.22982   123.03051   -27.30911
   24    20 S   CT   _CB2    32     1.53127   112.35900   150.79896
   25    24 S   HC   HB21    33     1.09661   109.86846    58.79778
   26    24 S   HC   HB22    34     1.09570   111.05866   176.19389
   27    22 S   N    _N3_    24     1.38492   112.58079   155.37692
   28    27 S   H    _HN3    25     1.01659   120.42137    -2.10951
   29    24 S   S    _SG2    35     1.82573   113.95724   -60.94658
   30    27 S   CT   _CA3    26     1.45352   122.41325   178.65666
   31    30 S   HC   HA31    27     1.09569   107.71488   -57.35132
   32    30 S   HC   HA32    28     1.09564   107.69320    58.96336
   33    29 S   CT   _C18    36     1.82472    99.69672   -67.25749
   34    33 S   HC   _H3_    37     1.09508   108.06831   -46.93065
   35    33 S   HC   _H4_    38     1.09354   110.60215    68.92702
   36    30 S   CO3  _C3_    29     1.52872   114.36143  -179.27476
   37    36 S   O2Z  _O31    30     1.26321   116.07678    -2.49959
   38    36 S   O2Z  _O32    31     1.26438   114.40324   177.52148
   39    33 S   CM   _C7_    39     1.51535   110.15393  -168.76127
   40    39 S   CMA  _C6_    40     1.36272   121.23664   102.33450
   41    40 S   OM   _O16    41     1.26126   131.89885     0.29208
   42    40 S   CM   _C4_    42     1.46690   118.12435  -177.73100
   43    42 S   HC   _H21    43     1.08884   119.41231   161.48234
   44    42 S   CM   _C5_    44     1.34282   122.25338   -20.38015
   45    44 S   HC   _H22    45     1.08600   119.57476  -176.83603
   46    44 S   CT   _C14    46     1.51609   120.96694     1.40067
   47    46 S   CT   _C10    47     1.54469   109.90094   150.61732
   48    47 S   HC   _H25    48     1.09812   109.70515    66.20246
   49    47 S   HC   _H26    49     1.09920   108.63775   -49.92427
   50    46 S   CT   _C16    69     1.54714   106.31492   -89.84870
   51    50 S   HC   _H30    70     1.09179   113.13651   179.38261
   52    50 S   HC   _H31    71     1.09616   112.01437    58.90259
   53    50 S   HC   _H32    72     1.09716   110.82568   -60.56818
   54    47 S   CT   _C13    50     1.52847   114.85662  -170.37498
   55    54 S   HC   _H29    51     1.09858   107.47060   166.55363
   56    54 S   CT   _C12    52     1.52392   116.02097    42.39203
   57    56 S   HC   _H28    53     1.09782   108.88043    81.39351
   58    56 S   CT   _C9_    54     1.54241   113.69203   -39.25767
   59    58 S   HC   _H23    55     1.09532   111.47957   -74.90643
   60    58 S   HC   _H24    56     1.09540   106.99389   169.63587
   61    56 S   CT   _C15    59     1.53157   100.61121  -161.46040
   62    39 S   CT   _C11    57     1.53862   119.12027   -76.04036
   63    62 S   HC   _H27    58     1.10325   104.10531    96.02089
   64    61 S   CO4  _C8_    60     1.51561   101.63360    33.51421
   65    64 S   O    _O17    61     1.22130   126.18062   161.85945
   66    61 S   CT   _C17    63     1.51938   116.19767   156.96715
   67    66 S   HC   _H33    64     1.09436   110.32035    57.42547
   68    66 S   HC   _H34    65     1.09403   112.76990   -64.63679
   69    66 S   HC   _H35    66     1.09624   110.86266   175.34238
   70    61 S   OH   _O19    67     1.42505   109.05131   -78.91190
   71    70 S   HO   _H38    68     0.97325   108.21819  -178.42940
   72    54 S   OS   _O18    62     1.43424   111.92105   -77.28229
  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   6   5   4   3
  10   4   3   2   1   1  14   9   4   7   3  13   4  16  16   7
   6   7   3   2   1  13   6  16   9   9   4   3  10   1   1   8
   3   6   3   2   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    62  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    46    58    62    63  
   35    39    40    62  
   39    40    62  
   37    38  
   38  
    0  
   40    41    42    43    44    46    47    56    58    59    60    62    63    50  
   41    42    43    44    45    46    58    62    63  
   42    43    44    62  
   43    44    45    46    47    62    50  
   44    45    46  
   45    46    47    48    49    54    58    62    63    50    51    52    53  
   46    47    62    50  
   47    48    49    54    55    56    58    59    60    62    63    72    50    51    52    53  
   48    49    54    55    56    57    58    62    63    61    64    72    50    51    52    53  
   49    54    55    56    62    72    50  
   54    55    56    62    72    50  
   51    52    53    54    58    62    63  
   52    53    62  
   53    62  
   62  
   55    56    57    58    59    60    62    61    64    65    72    66    70  
   56    57    58    61    64    72  
   57    58    59    60    62    63    61    64    65    72    66    67    68    69    70    71  
   58    59    60    62    61    64    72    66    70  
   59    60    62    63    61    64    72    66    70  
   60    62    63    61  
   62    63    61  
   64    65    72    66    67    68    69    70    71    62  
   63  
    0  
   65    72    66    67    68    69    70    71  
   72    66    70  
   67    68    69    70    71    72  
   68    69    70  
   69    70  
   70  
   71    72  
    0  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    62   317.000  1.510
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   268.000  1.529
   46    62   268.000  1.529
   46    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    72   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   61    64   317.000  1.522
   61    66   268.000  1.529
   61    70   320.000  1.410
   64    65   570.000  1.229
   64    72   214.000  1.327
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   553.000  0.945
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    62    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    70.00000  123.01800
   39    62    46    70.00000  112.02700
   39    62    58    70.00000  112.02700
   39    62    63    35.00000  109.50000
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.02700
   44    46    62    70.00000  112.02700
   44    46    50    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    54    58.35000  112.70000
   46    62    58    58.35000  112.70000
   46    62    63    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    56    58.35000  112.70000
   47    54    72    50.00000  109.50000
   49    47    48    33.00000  107.80000
   54    47    48    37.50000  110.70000
   54    47    49    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    72    64    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    62    58.35000  112.70000
   56    61    64    63.00000  111.10000
   56    61    66    58.35000  112.70000
   56    61    70    50.00000  109.50000
   58    56    57    37.50000  110.70000
   58    62    63    37.50000  110.70000
   60    58    59    33.00000  107.80000
   62    39    40    70.00000  124.00000
   62    46    47    58.35000  112.70000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    64    65    80.00000  120.40000
   61    64    72    81.00000  111.40000
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    69    37.50000  110.70000
   61    70    71    55.00000  108.50000
   72    54    55    35.00000  109.50000
   72    54    56    50.00000  109.50000
   72    64    65    83.00000  123.40000
   66    61    64    63.00000  111.10000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    61    64    90.00000  109.61100
   70    61    66    50.00000  109.50000
   50    46    47    58.35000  112.70000
   50    46    62    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    62   0.30250  1.0 1.0
   29    33    39    62  -0.14950 -1.0 2.0
   29    33    39    62   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    62    46   0.46850  1.0 1.0
   33    39    62    46   0.08550 -1.0 2.0
   33    39    62    46   0.09800  1.0 3.0
   33    39    62    58   0.46850  1.0 1.0
   33    39    62    58   0.08550 -1.0 2.0
   33    39    62    58   0.09800  1.0 3.0
   33    39    62    63   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    62   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    62   0.34800  1.0 3.0
   39    40    42    43   7.00000 -1.0 2.0
   39    40    42    44   7.00000 -1.0 2.0
   40    39    62    46   0.09850  1.0 1.0
   40    39    62    46   0.15250 -1.0 2.0
   40    39    62    46  -0.50650  1.0 3.0
   40    39    62    58   0.09850  1.0 1.0
   40    39    62    58   0.15250 -1.0 2.0
   40    39    62    58  -0.50650  1.0 3.0
   40    39    62    63   0.00000  1.0 1.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42   -44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.09850  1.0 1.0
   42    44    46    47   0.15250 -1.0 2.0
   42    44    46    47  -0.50650  1.0 3.0
   42    44    46    62   0.09850  1.0 1.0
   42    44    46    62   0.15250 -1.0 2.0
   42    44    46    62  -0.50650  1.0 3.0
   42    44    46    50   0.09850  1.0 1.0
   42    44    46    50   0.15250 -1.0 2.0
   42    44    46    50  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.15000  1.0 3.0
   44    46    47    54   0.34400  1.0 1.0
   44    46    47    54   0.09450 -1.0 2.0
   44    46    47    54   0.11100  1.0 3.0
   44    46   -62    39   0.31000  1.0 1.0
   44    46   -62    39   0.14700 -1.0 2.0
   44    46   -62    39   0.07550  1.0 3.0
   44    46    62    58   0.34400  1.0 1.0
   44    46    62    58   0.09450 -1.0 2.0
   44    46    62    58   0.11100  1.0 3.0
   44    46    62    63   0.15000  1.0 3.0
   44    46    50    51   0.15000  1.0 3.0
   44    46    50    52   0.15000  1.0 3.0
   44    46    50    53   0.15000  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    62   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    47    54    55   0.15000  1.0 3.0
   46    47    54    56   0.56750  1.0 1.0
   46    47    54    56  -0.07550 -1.0 2.0
   46    47    54    56   0.20000  1.0 3.0
   46    47    54    72   0.62750  1.0 1.0
   46    47    54    72  -0.30950 -1.0 2.0
   46    47    54    72   0.27300  1.0 3.0
   47    46    62    39   0.34400  1.0 1.0
   47    46    62    39   0.09450 -1.0 2.0
   47    46    62    39   0.11100  1.0 3.0
   47    46    62    58   0.56750  1.0 1.0
   47    46    62    58  -0.07550 -1.0 2.0
   47    46    62    58   0.20000  1.0 3.0
   47    46    62    63   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    54    56    57   0.15000  1.0 3.0
   47    54   -56    58   0.56750  1.0 1.0
   47    54   -56    58  -0.07550 -1.0 2.0
   47    54   -56    58   0.20000  1.0 3.0
   47    54    56    61   0.56750  1.0 1.0
   47    54    56    61  -0.07550 -1.0 2.0
   47    54    56    61   0.20000  1.0 3.0
   47    54    72    64  -0.25900  1.0 1.0
   47    54    72    64  -0.47000 -1.0 2.0
   47    54    72    64   0.11750  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    56   0.15000  1.0 3.0
   48    47    54    72   0.23400  1.0 3.0
   49    47    54    55   0.15000  1.0 3.0
   49    47    54    56   0.15000  1.0 3.0
   49    47    54    72   0.23400  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    62   0.56750  1.0 1.0
   54    56    58    62  -0.07550 -1.0 2.0
   54    56    58    62   0.20000  1.0 3.0
   54    56   -61    64  -0.95700  1.0 1.0
   54    56   -61    64  -0.18200 -1.0 2.0
   54    56   -61    64   0.29450  1.0 3.0
   54    56    61    66   0.56750  1.0 1.0
   54    56    61    66  -0.07550 -1.0 2.0
   54    56    61    66   0.20000  1.0 3.0
   54    56    61    70   0.86500  1.0 1.0
   54    56    61    70  -0.17500 -1.0 2.0
   54    56    61    70   0.20800  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    72    64   0.08050  1.0 3.0
   56    54   -72    64  -0.25900  1.0 1.0
   56    54   -72    64  -0.47000 -1.0 2.0
   56    54   -72    64   0.11750  1.0 3.0
   56    58    62    39   0.34400  1.0 1.0
   56    58    62    39   0.09450 -1.0 2.0
   56    58    62    39   0.11100  1.0 3.0
   56    58   -62    46   0.56750  1.0 1.0
   56    58   -62    46  -0.07550 -1.0 2.0
   56    58   -62    46   0.20000  1.0 3.0
   56    58    62    63   0.15000  1.0 3.0
   56    61    64    65   0.30150 -1.0 2.0
   56    61   -64    72   0.36750  1.0 3.0
   56    61    66    67   0.15000  1.0 3.0
   56    61    66    68   0.15000  1.0 3.0
   56    61    66    69   0.15000  1.0 3.0
   56    61    70    71  -0.11600  1.0 1.0
   56    61    70    71  -0.09450 -1.0 2.0
   56    61    70    71   0.21250  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    62   0.15000  1.0 3.0
   57    56    61    64  -0.11250  1.0 3.0
   57    56    61    66   0.15000  1.0 3.0
   57    56    61    70   0.23400  1.0 3.0
   58    56    61    64  -0.95700  1.0 1.0
   58    56    61    64  -0.18200 -1.0 2.0
   58    56    61    64   0.29450  1.0 3.0
   58    56    61    66   0.56750  1.0 1.0
   58    56    61    66  -0.07550 -1.0 2.0
   58    56    61    66   0.20000  1.0 3.0
   58    56    61    70   0.86500  1.0 1.0
   58    56    61    70  -0.17500 -1.0 2.0
   58    56    61    70   0.20800  1.0 3.0
   59    58    62    39   0.15000  1.0 3.0
   59    58    62    46   0.15000  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   60    58    62    39   0.15000  1.0 3.0
   60    58    62    46   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   62    39    40    41   7.00000 -1.0 2.0
   62    39   -40    42   7.00000 -1.0 2.0
   62    46    47    48   0.15000  1.0 3.0
   62    46    47    49   0.15000  1.0 3.0
   62    46   -47    54   0.56750  1.0 1.0
   62    46   -47    54  -0.07550 -1.0 2.0
   62    46   -47    54   0.20000  1.0 3.0
   62    46    50    51   0.15000  1.0 3.0
   62    46    50    52   0.15000  1.0 3.0
   62    46    50    53   0.15000  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    62   0.56750  1.0 1.0
   61    56    58    62  -0.07550 -1.0 2.0
   61    56    58    62   0.20000  1.0 3.0
   61    64   -72    54   1.63150  1.0 1.0
   61    64   -72    54   2.92000 -1.0 2.0
   64    61    66    67  -0.11250  1.0 3.0
   64    61    66    68  -0.11250  1.0 3.0
   64    61    66    69  -0.11250  1.0 3.0
   64    61    70    71   0.91850  1.0 1.0
   64    61    70    71   0.57950  1.0 3.0
   65    64    72    54   3.00000 -1.0 2.0
   72    54    56    57   0.23400  1.0 3.0
   72    54    56    58   0.62750  1.0 1.0
   72    54    56    58  -0.30950 -1.0 2.0
   72    54    56    58   0.27300  1.0 3.0
   72    54   -56    61   0.62750  1.0 1.0
   72    54   -56    61  -0.30950 -1.0 2.0
   72    54   -56    61   0.27300  1.0 3.0
   66    61    64    65   0.30150 -1.0 2.0
   66    61    64    72   0.36750  1.0 3.0
   66    61    70    71  -0.11600  1.0 1.0
   66    61    70    71  -0.09450 -1.0 2.0
   66    61    70    71   0.21250  1.0 3.0
   70    61    64    65   0.30150 -1.0 2.0
   70    61    64    72   0.30750  1.0 1.0
   70    61    64    72   1.13850 -1.0 2.0
   70    61    64    72   0.38850  1.0 3.0
   70    61    66    67   0.23400  1.0 3.0
   70    61    66    68   0.23400  1.0 3.0
   70    61    66    69   0.23400  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46    47    54   0.56750  1.0 1.0
   50    46    47    54  -0.07550 -1.0 2.0
   50    46    47    54   0.20000  1.0 3.0
   50    46    62    39   0.34400  1.0 1.0
   50    46    62    39   0.09450 -1.0 2.0
   50    46    62    39   0.11100  1.0 3.0
   50    46    62    58   0.56750  1.0 1.0
   50    46    62    58  -0.07550 -1.0 2.0
   50    46    62    58   0.20000  1.0 3.0
   50    46    62    63   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   33    62    39    40   1.10000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   61    72    64    65  10.50000 -1.0 2.0
END
