* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    135    199     380
    1     0 S   NP   _N1_     1    28.77248    96.56847   -23.77946
    2     1 S   H    _HN1     2     1.02947    72.11107     0.01978
    3     1 S   H    _H1_     3     1.02827    36.44076   163.11341
    4     1 S   H    _H2_     4     1.02794   109.98958  -103.58244
    5     1 S   CT   _CA1     5     1.50124   133.85536   101.44991
    6     5 S   HC   _HA1     6     1.09574   105.15681    93.25517
    7     5 S   CO3  _C1_     7     1.53766   112.49708   -26.94453
    8     7 S   O2Z  _O11     8     1.26376   115.00260   -41.80858
    9     7 S   O2Z  _O12     9     1.26237   114.94009   137.22208
   10     5 S   CT   _CB1    10     1.53061   107.40752  -148.76934
   11    10 S   HC   HB11    11     1.09841   109.31722   -49.33147
   12    10 S   HC   HB12    12     1.09810   110.47497    67.26042
   13    10 S   CT   _CG1    13     1.53022   112.65122  -170.26993
   14    13 S   HC   HG11    14     1.09568   110.73592   -67.66368
   15    13 S   HC   HG12    15     1.09670   109.69127    51.58712
   16    13 S   C    _CD1    16     1.51812   111.98789   172.06872
   17    16 S   O    _OE1    17     1.22756   123.18106    12.70897
   18    16 S   N    _N2_    18     1.38655   111.84203  -167.31965
   19    18 S   H    _HN2    19     1.01576   118.96703     1.11100
   20    18 S   CT1  _CA2    20     1.46214   123.34457   176.25937
   21    20 S   HC   _HA2    21     1.09742   109.29834     7.04250
   22    20 S   C    _C2_    22     1.53679   108.74794  -108.40530
   23    22 S   O    _O2_    23     1.23075   122.24951  -148.34947
   24    20 S   CT   _CB2    32     1.53438   111.73362   129.04938
   25    24 S   HC   HB21    33     1.09533   109.72902    56.35228
   26    24 S   HC   HB22    34     1.09399   109.67082   175.30218
   27    22 S   N    _N3_    24     1.38312   113.83558    39.12101
   28    27 S   H    _HN3    25     1.01546   119.62070    -3.12669
   29    24 S   S    _SG2    35     1.82864   111.27177   -64.17151
   30    27 S   CT   _CA3    26     1.45287   123.30622   177.23777
   31    30 S   HC   HA31    27     1.09546   107.49695   -65.21661
   32    30 S   HC   HA32    28     1.09554   108.02093    51.25459
   33    29 S   CT   _C14    36     1.86571   101.84926  -170.84438
   34    30 S   CO3  _C3_    29     1.52984   114.01465   173.25779
   35    34 S   O2Z  _O31    30     1.26388   116.06361    -0.73940
   36    34 S   O2Z  _O32    31     1.26422   114.42505   179.32711
   37    33 S   CM   _C9_    37     1.54920   107.60103  -173.14067
   38    33 S   CT   _C15    67     1.54320   113.17091   -43.70428
   39    38 S   HC   _H14    68     1.09736   111.27438    68.37176
   40    38 S   HC   _H15    69     1.09594   111.48767   -51.60303
   41    37 S   N4   _N4_    38     1.37674   110.75996  -100.71376
   42    37 S   CMA  _C10    54     1.36756   126.38878    80.99964
   43    42 S   OM   _O34    55     1.26912   125.12875    -1.13125
   44    38 S   OS   _O38    70     1.44379   110.08254  -172.25894
   45    41 S   C4   _C8_    39     1.36090   131.17180  -122.26634
   46    45 S   O    _O33    40     1.20989   134.22050   -33.08301
   47    41 S   C4T  _C7_    43     1.45082   118.54770     8.99281
   48    47 S   HC   _H5_    44     1.09546   112.46553    96.68214
   49    42 S   OS   _O35    56     1.42052   111.35061  -178.73808
   50    44 S   CO4  _C16    71     1.35999   116.05849   178.78196
   51    50 S   O    _O39    72     1.22519   125.60365     1.69142
   52    45 S   C4T  _C6_    41     1.55420    90.46880   141.51476
   53    52 S   HC   _H4_    42     1.10139   110.29586   108.00122
   54    33 S   S    _S1_    45     1.88335   108.20720    74.56836
   55    49 S   CO   _C11    57     1.42853   116.59486   177.87072
   56    55 S   HC   _H9_    58     1.09580   109.75292   -63.18967
   57    55 S   HC   _H10    59     1.09751   111.47695    57.73116
   58    50 S   N    _N5_    73     1.36856   110.13609  -178.41996
   59    58 S   H    _H16    74     1.01296   121.09314   179.78060
   60    58 S   H    _H17    75     1.01344   120.85824     0.85501
   61    52 S   CT   _C5_    46     1.52486   115.42687  -126.57575
   62    61 S   HC   _H3_    47     1.09494   111.56608    51.40808
   63    55 S   OS   _O36    60     1.44088   110.59330  -180.00000
   64    61 S   CT   _C4_    48     1.52251   110.68260   175.05708
   65    64 S   HC   _H6_    49     1.09600   110.88534    60.15796
   66    64 S   HC   _H7_    50     1.09312   112.06101   -60.70833
   67    64 S   HC   _H8_    51     1.09531   110.45590   178.20245
   68    61 S   OH   _O40    52     1.42725   108.11295   -66.64547
   69    68 S   HO   _H18    53     0.97246   107.54193   177.42960
   70    63 S   CO4  _C12    61     1.36207   116.11691   -80.99690
   71    70 S   O    _O37    62     1.22322   126.65007    -2.26659
   72    70 S   CT   _C13    63     1.49868   109.44294   178.01614
   73    72 S   HC   _H11    64     1.09295   109.83188   -60.38394
   74    72 S   HC   _H12    65     1.09383   109.36230  -179.35593
   75    72 S   HC   _H13    66     1.09287   109.84642    61.55404
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  15   2   1   1  15  10   4   3  11   9   2   6  10   4   8   4
   5   4   3  10   5   1   6   3   2   2   1   1   7   6   6   5
   3   2   1   1   1   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    47    54    42    38    39    40    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    45    52    47    48    54    42    43    49    38    39    40    44    50  
   35    36  
   36  
    0  
   41    45    46    52    47    48    54    42    43    49    55    38    39    40    44  
   39    40    44    50    51    58    41    42    47    54  
   40    44    50    54  
   44    50    54  
   45    46    52    53    47    48    54    61    42    43    49  
   43    49    55    56    57    63    45    47    54  
   49    55  
   50    51    58    59    60    54  
   46    52    53    47    48    54    61    62    64    68  
   52    53    47    61  
   48    54    61    62    64    68    52    53  
   54    61    52    53  
   55    56    57    63    70  
   51    58    59    60  
   58    59    60  
   53    54    61    62    64    65    66    67    68    69  
   54    61    62    64    68  
   61  
   56    57    63    70    71    72  
   57    63    70  
   63    70  
   59    60  
   60  
    0  
   62    64    65    66    67    68    69  
   64    65    66    67    68    69  
   70    71    72    73    74    75  
   65    66    67    68    69  
   66    67    68  
   67    68  
   68  
   69  
    0  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   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   0.335000   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   47   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   52   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   55   3.5000   0.0660   0.171400   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   58   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   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    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  1.510
   33    54   222.000  1.810
   33    38   268.000  1.529
   37    41   400.000  1.384
   37    42   465.000  1.376
   41    45   440.000  1.369
   41    47   305.000  1.456
   45    46   930.000  1.212
   45    52   250.000  1.540
   52    53   340.000  1.090
   52    47   268.000  1.529
   52    61   260.000  1.519
   47    48   340.000  1.090
   47    54   200.000  1.824
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   553.000  0.945
   42    43   745.000  1.250
   42    49   440.000  1.360
   49    55   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    63   320.000  1.380
   63    70   214.000  1.327
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   320.000  1.410
   44    50   214.000  1.327
   50    51   570.000  1.229
   50    58   435.000  1.380
   58    59   434.000  1.010
   58    60   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    54    75.00000  118.28000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  113.82800
   33    37    42    70.00000  124.00000
   33    54    47    85.00000   99.86700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    50.00000  109.50000
   37    41    45    50.00000  132.10000
   37    41    47    50.00000  132.70000
   37    42    43    65.00000  137.10300
   37    42    49    80.00000  120.01400
   41    45    46    75.00000  131.60000
   41    45    52    95.00000   92.72400
   41    47    52   105.00000   87.49700
   41    47    48    50.00000  112.01000
   41    47    54    80.00000  108.62000
   45    52    53    40.00000  113.37500
   45    52    47   100.00000   86.36000
   45    52    61    63.00000  111.10000
   52    45    46    60.00000  136.58000
   52    47    48    37.50000  110.70000
   52    47    54    65.00000  119.05700
   52    61    62    45.00000  111.22300
   52    61    64    70.00000  112.98000
   52    61    68    50.00000  109.50000
   47    41    45   100.00000   93.00000
   47    52    53    37.50000  110.70000
   54    33    37    75.00000  112.20000
   54    47    48    45.00000  109.41400
   61    52    53    45.00000  112.72800
   61    52    47    65.00000  119.52000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   61    68    69    55.00000  108.50000
   64    61    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    62    35.00000  109.50000
   68    61    64    50.00000  109.50000
   42    37    41    75.00000  120.83300
   42    49    55    85.00000  113.97000
   49    42    43    65.00000  121.00000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    63    92.60000  111.55000
   55    63    70    95.00000  111.08000
   57    55    56    33.00000  109.50000
   63    55    56    35.00000  109.50000
   63    55    57    35.00000  109.50000
   63    70    71    83.00000  123.40000
   63    70    72    81.00000  111.40000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   72    70    71    80.00000  120.40000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    54    75.00000  111.63000
   38    44    50    83.00000  116.90000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    50    51    83.00000  123.40000
   44    50    58   110.00000  108.75700
   50    58    59    50.00000  116.34900
   50    58    60    50.00000  116.34900
   58    50    51    85.00000  125.96000
   60    58    59    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.08500  1.0 1.0
   24    29    33    54  -0.53150 -1.0 2.0
   24    29    33    54   0.48050  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    54    47   0.08500  1.0 1.0
   29    33    54    47  -0.53150 -1.0 2.0
   29    33    54    47   0.48050  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   33    37    41    45   0.00000  1.0 1.0
   33    37   -41    47   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    38    44    50  -0.25900  1.0 1.0
   33    38    44    50  -0.47000 -1.0 2.0
   33    38    44    50   0.11750  1.0 3.0
   37    33   -54    47  -0.70200  1.0 1.0
   37    33   -54    47  -0.14350 -1.0 2.0
   37    33   -54    47   0.55200  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    44   0.61850  1.0 1.0
   37    33    38    44  -0.22750 -1.0 2.0
   37    33    38    44   0.15300  1.0 3.0
   37    41    45    46   3.00000 -1.0 2.0
   37    41    45    52   3.00000 -1.0 2.0
   37    41   -47    52   0.00000  1.0 1.0
   37    41    47    48   0.00000  1.0 1.0
   37    41   -47    54   0.00000  1.0 1.0
   37    42    49    55  -2.26850  1.0 1.0
   37    42    49    55   3.39050 -1.0 2.0
   41    37    42    43   7.00000 -1.0 2.0
   41    37    42    49   7.00000 -1.0 2.0
   41    45    52    53   0.00000  1.0 1.0
   41    45   -52    47   3.00000 -1.0 2.0
   41    45    52    61   1.39750  1.0 1.0
   41    45    52    61  -0.07950 -1.0 2.0
   41    45    52    61  -0.18750  1.0 3.0
   41    47   -54    33   0.01700  1.0 1.0
   41    47   -54    33  -0.23550 -1.0 2.0
   41    47   -54    33   0.21350  1.0 3.0
   45    41   -47    52   0.00000  1.0 1.0
   45    41    47    48   0.00000  1.0 1.0
   45    41    47    54   0.00000  1.0 1.0
   45    52   -47    41   3.00000 -1.0 2.0
   45    52   -47    48   0.15000  1.0 3.0
   45    52   -47    54   0.00000  1.0 1.0
   45    52    61    62  -0.11250  1.0 3.0
   45    52    61    64  -0.95700  1.0 1.0
   45    52    61    64  -0.18200 -1.0 2.0
   45    52    61    64   0.29450  1.0 3.0
   45    52    61    68  -0.09450  1.0 1.0
   45    52    61    68  -1.12950 -1.0 2.0
   45    52    61    68   0.54000  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    47  -0.11250  1.0 1.0
   46    45    52    47   0.11400 -1.0 2.0
   46    45    52    47  -0.28950  1.0 3.0
   46    45    52    61   0.30150 -1.0 2.0
   52    47    54    33   0.25150  1.0 1.0
   52    47    54    33  -1.17200 -1.0 2.0
   52    47    54    33   0.53050  1.0 3.0
   52    61    64    65   0.15000  1.0 3.0
   52    61    64    66   0.15000  1.0 3.0
   52    61    64    67   0.15000  1.0 3.0
   52    61    68    69  -0.11600  1.0 1.0
   52    61    68    69  -0.09450 -1.0 2.0
   52    61    68    69   0.21250  1.0 3.0
   53    52   -47    41   0.15000  1.0 3.0
   53    52    47    48   0.15000  1.0 3.0
   53    52    47    54   0.00000  1.0 1.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    68   0.23400  1.0 3.0
   47    41   -45    46   3.00000 -1.0 2.0
   47    41   -45    52   3.00000 -1.0 2.0
   47    52    61    62   0.00000  1.0 1.0
   47    52    61    64   0.04050  1.0 1.0
   47    52    61    64   0.63700 -1.0 2.0
   47    52    61    64   0.17650  1.0 3.0
   47    52    61    68   0.86500  1.0 1.0
   47    52    61    68  -0.17500 -1.0 2.0
   47    52    61    68   0.20800  1.0 3.0
   48    47    54    33   0.00000  1.0 1.0
   54    33   -37    41   0.09700  1.0 1.0
   54    33   -37    41   0.15600 -1.0 2.0
   54    33   -37    41  -0.50800  1.0 3.0
   54    33    37    42   0.42700  1.0 1.0
   54    33    37    42  -0.70350 -1.0 2.0
   54    33    37    42  -0.43150  1.0 3.0
   54    33    38    39   0.15000  1.0 3.0
   54    33    38    40   0.15000  1.0 3.0
   54    33    38    44   0.56750  1.0 1.0
   54    33    38    44  -0.07550 -1.0 2.0
   54    33    38    44   0.20000  1.0 3.0
   61    52   -47    41   0.43900  1.0 1.0
   61    52   -47    41   0.49100 -1.0 2.0
   61    52   -47    41   0.28400  1.0 3.0
   61    52    47    48   0.15000  1.0 3.0
   61    52    47    54   0.44750  1.0 1.0
   61    52    47    54  -0.17800 -1.0 2.0
   61    52    47    54   0.20200  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    68    69   0.19450  1.0 3.0
   64    61    68    69  -0.11600  1.0 1.0
   64    61    68    69  -0.09450 -1.0 2.0
   64    61    68    69   0.21250  1.0 3.0
   68    61    64    65   0.23400  1.0 3.0
   68    61    64    66   0.23400  1.0 3.0
   68    61    64    67   0.23400  1.0 3.0
   42    37    41    45   0.00000  1.0 1.0
   42    37    41    47   0.00000  1.0 1.0
   42    49    55    56   0.08050  1.0 3.0
   42    49    55    57   0.08050  1.0 3.0
   42    49    55    63  -0.48150  1.0 1.0
   42    49    55    63   0.09250 -1.0 2.0
   42    49    55    63  -0.12850  1.0 3.0
   43    42    49    55   2.00000 -1.0 2.0
   49    55    63    70  -1.83450  1.0 1.0
   49    55    63    70  -0.02700 -1.0 2.0
   49    55    63    70  -0.20100  1.0 3.0
   55    63    70    71   3.00000 -1.0 2.0
   55    63    70    72   1.63150  1.0 1.0
   55    63    70    72   2.92000 -1.0 2.0
   56    55    63    70   0.08050  1.0 3.0
   57    55    63    70   0.08050  1.0 3.0
   63    70    72    73   0.00000  1.0 1.0
   63    70    72    74   0.00000  1.0 1.0
   63    70    72    75   0.00000  1.0 1.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    75   0.00000  1.0 1.0
   38    33    37    41  -0.93550  1.0 1.0
   38    33    37    41   0.38900 -1.0 2.0
   38    33    37    41   0.16950  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    54    47  -0.25000 -1.0 2.0
   38    33    54    47  -0.01800  1.0 3.0
   38    44    50    51   3.00000 -1.0 2.0
   38    44    50    58  -0.80800  1.0 1.0
   38    44    50    58   2.06850 -1.0 2.0
   39    38    44    50   0.08050  1.0 3.0
   40    38    44    50   0.08050  1.0 3.0
   44    50    58    59   2.56700 -1.0 2.0
   44    50    58    60   2.56700 -1.0 2.0
   51    50    58    59   2.45000 -1.0 2.0
   51    50    58    60   2.45000 -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    41    37    42   1.10000 -1.0 2.0
   47    45    41    37   1.00000 -1.0 2.0
   41    52    45    46  10.50000 -1.0 2.0
   43    49    42    37   1.10000 -1.0 2.0
   63    72    70    71  10.50000 -1.0 2.0
   44    58    50    51  10.50000 -1.0 2.0
   60    50    58    59   1.00000 -1.0 2.0
END
