* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    219     408
    1     0 S   NP   _N1_     1    28.10913    97.13898   -22.00668
    2     1 S   H    _HN1     2     1.02776    98.29038  -104.59088
    3     1 S   H    _H1_     3     1.02957    72.74557     2.13249
    4     1 S   H    _H2_     4     1.02835    41.05157   147.61943
    5     1 S   CT   _CA1     5     1.50133   145.37984   103.20751
    6     5 S   HC   _HA1     6     1.09573   105.21811    88.61199
    7     5 S   CO3  _C1_     7     1.53791   112.36779   -31.60723
    8     7 S   O2Z  _O11     8     1.26369   114.99344   -43.44486
    9     7 S   O2Z  _O12     9     1.26233   114.93638   135.66278
   10     5 S   CT   _CB1    10     1.53095   107.42715  -153.43768
   11    10 S   HC   HB11    11     1.09828   109.36840   -50.12920
   12    10 S   HC   HB12    12     1.09816   110.40758    66.43631
   13    10 S   CT   _CG1    13     1.53022   112.67171  -171.17991
   14    13 S   HC   HG11    14     1.09592   110.51555   -64.09780
   15    13 S   HC   HG12    15     1.09656   109.91062    55.11515
   16    13 S   C    _CD1    16     1.51837   112.29443   175.52385
   17    16 S   O    _OE1    17     1.22750   123.28563     1.12274
   18    16 S   N    _N2_    18     1.38545   111.72107  -179.02161
   19    18 S   H    _HN2    19     1.01568   119.03582     4.71451
   20    18 S   CT1  _CA2    20     1.45873   122.89224   178.07512
   21    20 S   HC   _HA2    21     1.09717   108.98226    23.33271
   22    20 S   C    _C2_    22     1.52869   106.76622   -93.90018
   23    22 S   O    _O2_    23     1.22996   122.91586   -29.98353
   24    20 S   CT   _CB2    32     1.53276   112.15344   146.52181
   25    24 S   HC   HB21    33     1.09381   109.45872    54.76199
   26    24 S   HC   HB22    34     1.09424   109.68124   173.65446
   27    22 S   N    _N3_    24     1.38468   112.67425   152.65533
   28    27 S   H    _HN3    25     1.01654   120.40996    -1.11417
   29    24 S   S    _SG2    35     1.82928   110.60603   -66.13154
   30    27 S   CT   _CA3    26     1.45363   122.40993   178.70080
   31    30 S   HC   HA31    27     1.09565   107.52992   -62.76785
   32    30 S   HC   HA32    28     1.09573   107.87213    53.54492
   33    29 S   CT   _C18    36     1.87765   102.10456   175.87954
   34    30 S   CO3  _C3_    29     1.52887   114.40477   175.60742
   35    34 S   O2Z  _O31    30     1.26325   116.09183     1.88388
   36    34 S   O2Z  _O32    31     1.26454   114.40079  -178.07756
   37    33 S   CO4  _C17    37     1.52469   104.35423   -68.96747
   38    37 S   O    _O35    38     1.23146   121.83982   -69.16741
   39    33 S   CM   _C8_    49     1.52511   110.50181    55.50638
   40    37 S   CA   _C11    39     1.46959   118.89827   109.91723
   41    39 S   CT   _C7_    50     1.56129   111.70276    70.12531
   42    41 S   HC   _H4_    51     1.09570   108.90822   -65.54085
   43    40 S   CA   _C12    40     1.41130   116.94266  -171.69998
   44    43 S   HA   _H9_    41     1.08884   120.44703    -1.09539
   45    41 S   CT   _C6_    52     1.53833   111.95263    56.19529
   46    45 S   HC   _H3_    53     1.09812   108.76892    66.38663
   47    41 S   OH   _O38    67     1.43221   115.13116   177.56755
   48    47 S   HO   _H16    68     0.97327   107.77949    29.12066
   49    43 S   CA   _C13    42     1.39173   121.28108   178.34507
   50    45 S   CT   _C5_    54     1.54013   112.11930   -56.53699
   51    45 S   OH   _O39    65     1.43406   108.52562  -178.04155
   52    51 S   HO   _H17    66     0.97134   107.66019  -165.12757
   53    49 S   CA   _C14    43     1.38539   118.39461    -0.13988
   54    53 S   HA   _H10    44     1.08601   121.65365  -179.68721
   55    33 S   CT   _C19    55     1.57041   110.08179   177.77243
   56    55 S   HC   _H5_    56     1.09915   109.63570    51.60967
   57    50 S   CT   _C4_    59     1.53762   110.98463   176.37118
   58    57 S   HC   _H6_    60     1.09632   110.53560  -175.39695
   59    57 S   HC   _H7_    61     1.09569   111.31144    67.18222
   60    57 S   HC   _H8_    62     1.09452   112.14007   -54.45343
   61    50 S   OH   _O40    63     1.43224   108.54086   -67.36440
   62    61 S   HO   _H18    64     0.97243   108.19082   176.14146
   63    49 S   OS   _O34    71     1.36754   115.35279  -179.88636
   64    53 S   CA   _C15    45     1.40398   120.03901     0.31216
   65    55 S   OH   _O36    57     1.43874   109.18187   167.89045
   66    65 S   HO   _H15    58     0.97295   107.75501   -73.77282
   67    63 S   CT   _C16    72     1.42288   116.76226   179.95577
   68    67 S   HC   _H12    73     1.09428   107.75335   179.87805
   69    67 S   HC   _H13    74     1.09504   111.13736    62.10482
   70    67 S   HC   _H14    75     1.09503   111.12716   -62.36273
   71    40 S   CA   _C10    46     1.39954   120.87611     7.05330
   72    64 S   OH   _O33    69     1.37656   113.32738  -179.68973
   73    72 S   HO   _H11    70     0.97527   107.37370  -178.80188
   74    71 S   CMA  _C9_    47     1.52848   122.30930     2.48743
   75    74 S   OM   _O37    48     1.26810   117.86272   173.62628
  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  11   5   4   3
  19   2   1   1  14   5  16  11  14   7   9   4  16   7   4   1
  10  12   4   1   8   4  10   4   6   3   2   1   2   1   5   5
   1   1   3   2   1   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    55    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    74    39    41    50    55    56    65  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    71    74    75    39    41    42    45    50    55    56    65    66    57    61    47  
   35    36  
   36  
    0  
   38    40    43    44    49    64    71    74    39    41    50    55    56    65  
   40    43    71    39    55  
   41    42    45    46    50    55    56    65    51    47    48    40    64    71    74    75  
   43    44    49    53    64    71    74    75    55    72    63  
   42    45    46    50    55    57    61    51    52    47    48    71    74    75  
   45    46    50    51    47    48    74  
   44    49    53    54    64    71    74    63    67  
   49    53    71    63  
   46    50    55    56    65    57    58    59    60    61    62    51    52    47    48    74  
   50    55    57    61    51    52    47  
   48    50    51    74  
    0  
   53    54    64    71    72    63    67    68    69    70  
   55    56    65    66    57    58    59    60    61    62    51    52  
   52    55    57    61  
    0  
   54    64    71    74    72    73    63    67  
   64    71    72    63  
   56    65    66    57    58    59    60    61    62    74  
   65    66    57    61  
   58    59    60    61    62    65  
   59    60    61  
   60    61  
   61  
   62    65  
    0  
   67    68    69    70    64  
   71    74    75    72    73  
   66  
    0  
   68    69    70  
   69    70  
   70  
    0  
   74    75    72    73  
   73    74  
    0  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   75   3.1500   0.2500  -0.773900   1.7825   1.5750   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    39   317.000  1.510
   33    55   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    71   469.000  1.400
   43    44   367.000  1.080
   43    49   469.000  1.400
   49    53   469.000  1.400
   49    63   450.000  1.364
   53    54   367.000  1.080
   53    64   469.000  1.400
   64    71   469.000  1.400
   64    72   450.000  1.364
   71    74   320.000  1.460
   74    75   745.000  1.250
   74    39   465.000  1.376
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    50   268.000  1.529
   45    51   320.000  1.410
   50    55   268.000  1.529
   50    57   268.000  1.529
   50    61   320.000  1.410
   55    56   340.000  1.090
   55    65   320.000  1.410
   65    66   553.000  0.945
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   553.000  0.945
   51    52   553.000  0.945
   47    48   553.000  0.945
   72    73   553.000  0.945
   63    67   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    39    75.00000  112.20000
   29    33    55    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    74    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    65    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    71    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    49    63.00000  120.00000
   40    71    64    63.00000  120.00000
   40    71    74    60.00000  120.93500
   43    49    53    63.00000  120.00000
   43    49    63    70.00000  120.00000
   49    43    44    35.00000  120.00000
   49    53    54    35.00000  120.00000
   49    53    64    63.00000  120.00000
   49    63    67    75.00000  111.00000
   53    64    71    63.00000  120.00000
   53    64    72    70.00000  120.00000
   64    53    54    35.00000  120.00000
   64    71    74    60.00000  120.93500
   64    72    73    35.00000  113.00000
   71    40    43    63.00000  120.00000
   71    74    75    85.00000  114.86500
   71    74    39    60.00000  123.20500
   74    39    41    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    74    75    65.00000  137.10300
   39    41    42    35.00000  109.50000
   39    41    45    70.00000  112.02700
   39    41    47    90.00000  110.39200
   41    45    46    37.50000  110.70000
   41    45    50    58.35000  112.70000
   41    45    51    50.00000  109.50000
   41    47    48    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    50    55    58.35000  112.70000
   45    50    57    58.35000  112.70000
   45    50    61    50.00000  109.50000
   45    51    52    55.00000  108.50000
   50    45    46    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    65    50.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   50    61    62    55.00000  108.50000
   55    33    37    63.00000  111.10000
   55    33    39    70.00000  112.02700
   55    65    66    55.00000  108.50000
   65    55    56    35.00000  109.50000
   57    50    55    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    50    55    50.00000  109.50000
   61    50    57    50.00000  109.50000
   51    45    46    35.00000  109.50000
   51    45    50    50.00000  109.50000
   47    41    42    35.00000  109.50000
   47    41    45    50.00000  109.50000
   72    64    71    70.00000  120.00000
   63    49    53    70.00000  120.00000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  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
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   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    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    39    74   0.42700  1.0 1.0
   29    33    39    74  -0.70350 -1.0 2.0
   29    33    39    74  -0.43150  1.0 3.0
   29    33    39    41   0.30250  1.0 1.0
   29    33    39    41  -0.14950 -1.0 2.0
   29    33    39    41   0.36900  1.0 3.0
   29    33    55    50   0.44750  1.0 1.0
   29    33    55    50  -0.17800 -1.0 2.0
   29    33    55    50   0.20200  1.0 3.0
   29    33    55    56   0.15000  1.0 3.0
   29    33    55    65   0.56750  1.0 1.0
   29    33    55    65  -0.07550 -1.0 2.0
   29    33    55    65   0.20000  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    71   2.26350  1.0 1.0
   33    37    40    71   0.76750 -1.0 2.0
   33    37    40    71   0.22500  1.0 3.0
   33    39    41    42   0.34800  1.0 3.0
   33    39    41    45   0.46850  1.0 1.0
   33    39    41    45   0.08550 -1.0 2.0
   33    39    41    45   0.09800  1.0 3.0
   33    39    41    47   0.18000  1.0 1.0
   33    39    41    47   0.16450 -1.0 2.0
   33    39    41    47   0.04450  1.0 3.0
   33    55    65    66  -0.11600  1.0 1.0
   33    55    65    66  -0.09450 -1.0 2.0
   33    55    65    66   0.21250  1.0 3.0
   37    33    39    74  -0.51250  1.0 1.0
   37    33    39    74  -0.88800 -1.0 2.0
   37    33    39    74   0.08850  1.0 3.0
   37    33    39    41   0.17250  1.0 1.0
   37    33    39    41  -0.04100 -1.0 2.0
   37    33    39    41  -0.33850  1.0 3.0
   37    33    55    50  -0.95700  1.0 1.0
   37    33    55    50  -0.18200 -1.0 2.0
   37    33    55    50   0.29450  1.0 3.0
   37    33    55    56  -0.11250  1.0 3.0
   37    33    55    65  -0.09450  1.0 1.0
   37    33    55    65  -1.12950 -1.0 2.0
   37    33    55    65   0.54000  1.0 3.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    49   3.62500 -1.0 2.0
   37    40    71    64   3.62500 -1.0 2.0
   37    40   -71    74   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    71   1.05000 -1.0 2.0
   40    43    49    53   3.62500 -1.0 2.0
   40    43    49    63   3.62500 -1.0 2.0
   40    71    74    75  -0.01750  1.0 1.0
   40    71    74    75  -0.32000 -1.0 2.0
   40    71    74    75   0.00600  1.0 3.0
   40    71    74    39   0.15800  1.0 1.0
   40    71    74    39   1.85350 -1.0 2.0
   40    71    74    39  -0.48700  1.0 3.0
   43    40    71    64   3.62500 -1.0 2.0
   43    40    71    74   3.62500 -1.0 2.0
   43    49    53    54   3.62500 -1.0 2.0
   43    49   -53    64   3.62500 -1.0 2.0
   43    49    63    67   1.63200 -1.0 2.0
   44    43    49    53   3.62500 -1.0 2.0
   44    43    49    63   3.62500 -1.0 2.0
   49    53    64    71   3.62500 -1.0 2.0
   49    53    64    72   3.62500 -1.0 2.0
   49    63    67    68   0.08050  1.0 3.0
   49    63    67    69   0.08050  1.0 3.0
   49    63    67    70   0.08050  1.0 3.0
   53    49    63    67   1.63200 -1.0 2.0
   53    64   -71    40   3.62500 -1.0 2.0
   53    64    71    74   3.62500 -1.0 2.0
   53    64    72    73   0.84100 -1.0 2.0
   54    53    64    71   3.62500 -1.0 2.0
   54    53    64    72   3.62500 -1.0 2.0
   64    71    74    75  -0.01750  1.0 1.0
   64    71    74    75  -0.32000 -1.0 2.0
   64    71    74    75   0.00600  1.0 3.0
   64    71    74    39   0.15800  1.0 1.0
   64    71    74    39   1.85350 -1.0 2.0
   64    71    74    39  -0.48700  1.0 3.0
   71    40    43    44   3.62500 -1.0 2.0
   71    40   -43    49   3.62500 -1.0 2.0
   71    64    72    73   0.84100 -1.0 2.0
   71    74   -39    33   7.00000 -1.0 2.0
   71    74    39    41   7.00000 -1.0 2.0
   74    39    41    42   0.00000  1.0 1.0
   74    39    41    45   0.09850  1.0 1.0
   74    39    41    45   0.15250 -1.0 2.0
   74    39    41    45  -0.50650  1.0 3.0
   74    39    41    47   0.67800  1.0 1.0
   74    39    41    47   0.47050 -1.0 2.0
   74    39    41    47  -0.62500  1.0 3.0
   75    74    39    33   7.00000 -1.0 2.0
   75    74    39    41   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    40   0.65300  1.0 1.0
   39    33   -37    40  -0.03850 -1.0 2.0
   39    33   -37    40   0.33900  1.0 3.0
   39    33    55    50   0.34400  1.0 1.0
   39    33    55    50   0.09450 -1.0 2.0
   39    33    55    50   0.11100  1.0 3.0
   39    33    55    56   0.15000  1.0 3.0
   39    33    55    65   1.05650  1.0 1.0
   39    33    55    65   0.15600 -1.0 2.0
   39    33    55    65   0.53150  1.0 3.0
   39    41    45    46   0.15000  1.0 3.0
   39    41   -45    50   0.34400  1.0 1.0
   39    41   -45    50   0.09450 -1.0 2.0
   39    41   -45    50   0.11100  1.0 3.0
   39    41    45    51   1.05650  1.0 1.0
   39    41    45    51   0.15600 -1.0 2.0
   39    41    45    51   0.53150  1.0 3.0
   39    41    47    48  -0.07800  1.0 1.0
   39    41    47    48  -0.21500 -1.0 2.0
   39    41    47    48  -0.03150  1.0 3.0
   41    45    50    55   0.56750  1.0 1.0
   41    45    50    55  -0.07550 -1.0 2.0
   41    45    50    55   0.20000  1.0 3.0
   41    45    50    57   0.56750  1.0 1.0
   41    45    50    57  -0.07550 -1.0 2.0
   41    45    50    57   0.20000  1.0 3.0
   41    45    50    61   0.86500  1.0 1.0
   41    45    50    61  -0.17500 -1.0 2.0
   41    45    50    61   0.20800  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    50   0.15000  1.0 3.0
   42    41    45    51   0.23400  1.0 3.0
   42    41    47    48   0.19450  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    50   -55    33   0.56750  1.0 1.0
   45    50   -55    33  -0.07550 -1.0 2.0
   45    50   -55    33   0.20000  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    65   0.86500  1.0 1.0
   45    50    55    65  -0.17500 -1.0 2.0
   45    50    55    65   0.20800  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    60   0.15000  1.0 3.0
   45    50    61    62  -0.11600  1.0 1.0
   45    50    61    62  -0.09450 -1.0 2.0
   45    50    61    62   0.21250  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   46    45    50    61   0.23400  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   50    45    51    52  -0.11600  1.0 1.0
   50    45    51    52  -0.09450 -1.0 2.0
   50    45    51    52   0.21250  1.0 3.0
   50    55    65    66  -0.11600  1.0 1.0
   50    55    65    66  -0.09450 -1.0 2.0
   50    55    65    66   0.21250  1.0 3.0
   55    33    37    38   0.30150 -1.0 2.0
   55    33    37    40   0.05850 -1.0 2.0
   55    33    37    40   0.17250  1.0 3.0
   55    33    39    74   0.09850  1.0 1.0
   55    33    39    74   0.15250 -1.0 2.0
   55    33    39    74  -0.50650  1.0 3.0
   55    33   -39    41   0.46850  1.0 1.0
   55    33   -39    41   0.08550 -1.0 2.0
   55    33   -39    41   0.09800  1.0 3.0
   55    50    57    58   0.15000  1.0 3.0
   55    50    57    59   0.15000  1.0 3.0
   55    50    57    60   0.15000  1.0 3.0
   55    50    61    62  -0.11600  1.0 1.0
   55    50    61    62  -0.09450 -1.0 2.0
   55    50    61    62   0.21250  1.0 3.0
   56    55    65    66   0.19450  1.0 3.0
   57    50    55    33   0.56750  1.0 1.0
   57    50    55    33  -0.07550 -1.0 2.0
   57    50    55    33   0.20000  1.0 3.0
   57    50    55    56   0.15000  1.0 3.0
   57    50    55    65   0.86500  1.0 1.0
   57    50    55    65  -0.17500 -1.0 2.0
   57    50    55    65   0.20800  1.0 3.0
   57    50    61    62  -0.11600  1.0 1.0
   57    50    61    62  -0.09450 -1.0 2.0
   57    50    61    62   0.21250  1.0 3.0
   61    50    55    33   0.86500  1.0 1.0
   61    50    55    33  -0.17500 -1.0 2.0
   61    50    55    33   0.20800  1.0 3.0
   61    50    55    56   0.23400  1.0 3.0
   61    50    55    65   3.75450  1.0 1.0
   61    50    57    58   0.23400  1.0 3.0
   61    50    57    59   0.23400  1.0 3.0
   61    50    57    60   0.23400  1.0 3.0
   51    45    50    55   0.86500  1.0 1.0
   51    45    50    55  -0.17500 -1.0 2.0
   51    45    50    55   0.20800  1.0 3.0
   51    45    50    57   0.86500  1.0 1.0
   51    45    50    57  -0.17500 -1.0 2.0
   51    45    50    57   0.20800  1.0 3.0
   51    45    50    61   3.75450  1.0 1.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    50   0.86500  1.0 1.0
   47    41    45    50  -0.17500 -1.0 2.0
   47    41    45    50   0.20800  1.0 3.0
   47    41    45    51   3.75450  1.0 1.0
   72    64    71    40   3.62500 -1.0 2.0
   72    64    71    74   3.62500 -1.0 2.0
   63    49    53    54   3.62500 -1.0 2.0
   63    49    53    64   3.62500 -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
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   43    71    40    37   4.00000 -1.0 2.0
   49    44    43    40   1.10000 -1.0 2.0
   53    63    49    43   4.00000 -1.0 2.0
   64    54    53    49   1.10000 -1.0 2.0
   71    72    64    53   4.00000 -1.0 2.0
   64    74    71    40   4.00000 -1.0 2.0
   71    75    74    39   1.10000 -1.0 2.0
   33    41    39    74   1.10000 -1.0 2.0
END
