* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    137    221     404
    1     0 S   NP   _N1_     1    29.22868    96.73400   -18.90413
    2     1 S   H    _HN1     2     1.02777    74.28679   -72.77171
    3     1 S   H    _H1_     3     1.02963    88.14310    36.88065
    4     1 S   H    _H2_     4     1.02838    46.77994   152.55840
    5     1 S   CT   _CA1     5     1.50064   155.76779   177.82867
    6     5 S   HC   _HA1     6     1.09578   105.28535    39.65827
    7     5 S   CO3  _C1_     7     1.53741   112.43188   -80.60228
    8     7 S   O2Z  _O11     8     1.26330   114.92512   -45.02610
    9     7 S   O2Z  _O12     9     1.26231   114.89869   134.28229
   10     5 S   CT   _CB1    10     1.53072   107.46453   157.57191
   11    10 S   HC   HB11    11     1.09808   109.34078   -52.32393
   12    10 S   HC   HB12    12     1.09825   110.50864    64.33624
   13    10 S   CT   _CG1    13     1.52865   112.39259  -173.50236
   14    13 S   HC   HG11    14     1.09522   110.09696   -63.57517
   15    13 S   HC   HG12    15     1.09639   110.08575    55.55100
   16    13 S   C    _CD1    16     1.51681   112.55674   175.96565
   17    16 S   O    _OE1    17     1.22716   123.22811    -7.31185
   18    16 S   N    _N2_    18     1.38505   111.45614   173.31261
   19    18 S   H    _HN2    19     1.01807   118.79786     1.48819
   20    18 S   CT1  _CA2    20     1.46079   123.70203  -178.81965
   21    20 S   HC   _HA2    21     1.09743   109.09037   -15.76430
   22    20 S   C    _C2_    22     1.53567   108.88207  -131.22456
   23    22 S   O    _O2_    23     1.23058   122.15997  -152.19157
   24    20 S   CT   _CB2    32     1.53412   111.41941   106.25405
   25    24 S   HC   HB21    33     1.09431   110.01041    54.62546
   26    24 S   HC   HB22    34     1.09516   110.55659   172.55727
   27    22 S   N    _N3_    24     1.38512   113.55818    35.80433
   28    27 S   H    _HN3    25     1.01513   118.81219    -2.15958
   29    24 S   S    _SG2    35     1.82862   111.85307   -68.99403
   30    27 S   CT   _CA3    26     1.45418   123.51150   174.89136
   31    30 S   HC   HA31    27     1.09525   109.19755    24.74535
   32    30 S   HC   HA32    28     1.09496   107.11646   141.71238
   33    29 S   CT   _C17    36     1.84542   100.30587   132.51910
   34    33 S   HC   _H4_    37     1.09572   108.34720    33.91815
   35    30 S   CO3  _C3_    29     1.52945   113.19968   -98.72666
   36    35 S   O2Z  _O31    30     1.26412   115.49338   -43.59771
   37    35 S   O2Z  _O32    31     1.26384   114.98350   137.37775
   38    33 S   CM   _C12    38     1.52748   109.27556   -85.84358
   39    38 S   CT   _C13    39     1.51667   113.98099   -77.82146
   40    39 S   HC   _H9_    40     1.09806   108.14458    63.32800
   41    39 S   HC   _H10    41     1.09250   113.25856   179.06833
   42    38 S   CM   _C11    53     1.34698   119.83688   104.81974
   43    42 S   HC   _H8_    54     1.08587   118.81762    -1.55432
   44    39 S   CT1  _C14    42     1.52994   111.63557   -56.54696
   45    44 S   HC   _H3_    43     1.09801   107.45206   162.05270
   46    42 S   CG   _C10    55     1.48207   124.46761   176.81469
   47    46 S   HC   _H7_    56     1.09331   116.80881   -10.53500
   48    44 S   NE   _N5_    44     1.45227   111.35988    43.81906
   49    48 S   H    _H11    45     1.01751   117.77349   168.95949
   50    44 S   CO3  _C18    50     1.54301   116.56836   -79.29710
   51    50 S   O2Z  _O40    51     1.26338   116.67269    11.26348
   52    50 S   O2Z  _O39    52     1.26749   114.67337  -167.27883
   53    46 S   NIP  _N4_    57     1.29076   123.93022   169.55469
   54    33 S   CM   _C15    46     1.51585   108.50916   151.55788
   55    53 S   CM   _C6_    58     1.40964   123.26589   175.11617
   56    54 S   CMA  _C16    47     1.54115   121.08230   -78.32296
   57    56 S   OM   _O37    48     1.26497   120.62696   162.08386
   58    56 S   OM   _O38    49     1.26391   121.59521   -18.43380
   59    55 S   CM   _C5_    59     1.33699   112.08850   176.99658
   60    59 S   CM   _C4_    60     1.42482   123.88515   179.70591
   61    60 S   HC   _H6_    61     1.08369   119.37223   179.03571
   62    59 S   CT   _C20    69     1.48854   111.74820     0.85638
   63    62 S   HC   _H12    70     1.09639   110.75794   118.98011
   64    62 S   HC   _H13    71     1.09582   111.46376  -120.97508
   65    60 S   CM   _C8_    62     1.33616   117.73818    -0.43745
   66    53 S   CT1  _C19    72     1.51084   129.19222    -5.62054
   67    66 S   HC   _H5_    73     1.09646   107.44574    64.90487
   68    65 S   OS   _O34    63     1.42079   121.16224    -0.91877
   69    65 S   CO3  _C9_    66     1.54246   122.64704   179.73166
   70    69 S   O2Z  _O36    67     1.26526   115.10080   179.20230
   71    69 S   O2Z  _O35    68     1.26473   116.07585    -0.62558
   72    66 S   CO3  _C21    74     1.53292   110.47321   -57.90432
   73    72 S   O2Z  _O42    75     1.26268   116.65045   -50.12929
   74    72 S   O2Z  _O41    76     1.26407   114.30889   129.63168
   75    55 S   CO4  _C7_    64     1.48701   129.09167    -7.18532
   76    75 S   O    _O33    65     1.22459   123.60505    -2.02342
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  15   6   2   1   1  14  13   6   5   8   3   8   6   9   3   8
   3   3   1   1  14   3  13   2   1   1  13  11   4   9   4   3
   6   5   3   5   3   1   1   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    54    56    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    54    56    57    58    42    43    46  
   38    39    48    54    56    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    54    56    50    42    43    46    47    53  
   40    41    44    45    48    49    54    50    51    52    42    43    46  
   41    44    45    48    50    42  
   44    45    48    50    42  
   43    46    47    53    55    66    44    54  
   46    47    53  
   45    48    49    54    56    50    51    52  
   48    49    54    50    51    52  
   47    53    55    59    75    62    66    67    72  
   53    55    66  
   49    54    56    57    58    50    51    52  
   54    56    50  
   51    52    54  
   52  
    0  
   55    59    60    68    75    76    62    63    64    66    67    72    73    74  
   56    57    58  
   59    60    61    65    68    75    76    62    63    64    66    67    72  
   57    58  
   58  
    0  
   60    61    65    68    75    76    69    62    63    64    66    67    72  
   61    65    68    75    69    70    71    62    63    64    66  
   65    68    69    62  
   63    64    66    67    72    73    74    65    75  
   64    66    67    72  
   66    67    72  
   68    75    76    69    70    71  
   67    72    73    74    75  
   72    73    74  
   75    76    69    70    71  
   70    71    75  
   71  
    0  
   73    74  
   74  
    0  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.2500   0.1700   0.218500   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   58   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    54   317.000  1.510
   38    39   317.000  1.510
   38    42   549.000  1.340
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   382.000  1.448
   44    50   317.000  1.522
   48    49   434.000  1.010
   48    54   425.000  1.378
   54    56   465.000  1.376
   56    57   745.000  1.250
   56    58   745.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
   42    43   340.000  1.080
   42    46   400.000  1.403
   46    47   385.000  1.083
   46    53   635.000  1.286
   53    55   335.000  1.413
   53    66   280.000  1.462
   55    59   549.000  1.340
   55    75   320.000  1.462
   59    60   380.000  1.444
   59    62   317.000  1.510
   60    61   340.000  1.080
   60    65   549.000  1.340
   65    68   440.000  1.360
   65    69   230.000  1.545
   68    75   214.000  1.327
   75    76   570.000  1.229
   69    70   656.000  1.250
   69    71   656.000  1.250
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    72   317.000  1.522
   72    73   656.000  1.250
   72    74   656.000  1.250
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    54    75.00000  112.20000
   33    38    39    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    54    48    75.00000  116.24600
   33    54    56    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  109.50000
   38    39    41    35.00000  109.50000
   38    39    44    70.00000  112.02700
   38    42    43    35.00000  120.00000
   38    42    46    65.00000  121.68800
   39    44    45    37.50000  110.70000
   39    44    48    80.00000  111.61500
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    35.00000  112.50000
   44    48    54    50.00000  121.00000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    35.00000  109.50000
   48    54    56    70.00000  124.03900
   54    33    34    35.00000  109.50000
   54    33    38    70.00000  110.12100
   54    48    49    35.00000  114.50000
   54    56    57    65.00000  137.10300
   54    56    58    65.00000  137.10300
   58    56    57    65.00000  121.00000
   50    44    45    35.00000  109.50000
   50    44    48    63.00000  110.10000
   52    50    51    80.00000  126.00000
   42    38    39    70.00000  124.00000
   42    46    47    40.00000  123.36000
   42    46    53    65.00000  126.03000
   46    42    43    40.00000  116.17200
   46    53    55    70.00000  118.46000
   46    53    66    70.00000  122.59000
   53    46    47    45.00000  118.03900
   53    55    59    70.00000  113.56000
   53    55    75    70.00000  120.00000
   53    66    62    75.00000  111.57000
   53    66    67    50.00000  106.46400
   53    66    72    75.00000  110.00000
   55    59    60    70.00000  123.01800
   55    59    62    70.00000  124.00000
   55    75    68    90.00000  111.29400
   55    75    76    80.00000  123.72100
   59    60    61    35.00000  120.00000
   59    60    65    70.00000  123.01800
   59    62    63    35.00000  109.50000
   59    62    64    35.00000  109.50000
   59    62    66    70.00000  112.02700
   60    65    68    80.00000  120.01400
   60    65    69    55.00000  124.75400
   65    60    61    35.00000  120.00000
   65    68    75    90.00000  114.22900
   65    69    70    85.00000  113.83300
   65    69    71    85.00000  113.83300
   68    75    76    83.00000  123.40000
   75    55    59    65.00000  118.96000
   69    65    68    80.00000  119.00000
   71    69    70    80.00000  126.00000
   62    59    60    70.00000  124.00000
   62    66    67    37.50000  110.70000
   62    66    72    63.00000  111.10000
   64    62    63    33.00000  107.80000
   66    53    55    70.00000  121.00000
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    72    73    70.00000  117.00000
   66    72    74    70.00000  117.00000
   72    66    67    35.00000  109.50000
   74    72    73    80.00000  126.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   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    38    39   0.30250  1.0 1.0
   29    33    38    39  -0.14950 -1.0 2.0
   29    33    38    39   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.09700  1.0 1.0
   29    33    54    48   0.15600 -1.0 2.0
   29    33    54    48  -0.50800  1.0 3.0
   29    33    54    56   0.42700  1.0 1.0
   29    33    54    56  -0.70350 -1.0 2.0
   29    33    54    56  -0.43150  1.0 3.0
   33    38    39    40   0.34800  1.0 3.0
   33    38    39    41   0.34800  1.0 3.0
   33    38    39    44   0.46850  1.0 1.0
   33    38    39    44   0.08550 -1.0 2.0
   33    38    39    44   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   33    54    56    57   7.00000 -1.0 2.0
   33    54    56    58   7.00000 -1.0 2.0
   34    33    38    39   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    54    48  -0.18050  1.0 3.0
   34    33    54    56   0.00000  1.0 1.0
   38    33    54    48  -1.35150  1.0 1.0
   38    33    54    48   0.13900 -1.0 2.0
   38    33    54    48   0.25250  1.0 3.0
   38    33    54    56  -0.28300  1.0 1.0
   38    33    54    56   0.26700 -1.0 2.0
   38    33    54    56  -0.63300  1.0 3.0
   38    39    44    45   0.15000  1.0 3.0
   38    39   -44    48   0.21700  1.0 1.0
   38    39   -44    48   0.68550 -1.0 2.0
   38    39   -44    48  -0.27950  1.0 3.0
   38    39    44    50  -0.98800  1.0 1.0
   38    39    44    50   0.48800 -1.0 2.0
   38    39    44    50   0.76800  1.0 3.0
   38    42    46    47   1.36050 -1.0 2.0
   38    42    46    53   1.09700  1.0 1.0
   38    42    46    53   0.56350 -1.0 2.0
   38    42    46    53   0.49350  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    54   0.25450  1.0 1.0
   39    44    48    54  -0.61700 -1.0 2.0
   39    44    48    54  -0.23550  1.0 3.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.22950  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.22950  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48   -54    33   1.00000 -1.0 2.0
   44    48    54    56  -0.54700  1.0 1.0
   44    48    54    56   1.23000 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    54   0.00000  1.0 1.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.00000  1.0 1.0
   48    44    50    52   0.00000  1.0 1.0
   48    54    56    57   7.00000 -1.0 2.0
   48    54    56    58   7.00000 -1.0 2.0
   49    48    54    33   2.40850 -1.0 2.0
   49    48    54    56   1.00000 -1.0 2.0
   54    33   -38    39   0.09700  1.0 1.0
   54    33   -38    39   0.15600 -1.0 2.0
   54    33   -38    39  -0.50800  1.0 3.0
   54    33    38    42  -0.28300  1.0 1.0
   54    33    38    42   0.26700 -1.0 2.0
   54    33    38    42  -0.63300  1.0 3.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    54  -0.12500  1.0 1.0
   50    44    48    54  -0.12500 -1.0 2.0
   50    44    48    54   0.25000  1.0 3.0
   42    38    39    40   0.00000  1.0 1.0
   42    38    39    41   0.00000  1.0 1.0
   42    38    39    44   0.09850  1.0 1.0
   42    38    39    44   0.15250 -1.0 2.0
   42    38    39    44  -0.50650  1.0 3.0
   42    46    53    55   2.00000 -1.0 2.0
   42    46    53    66   2.00000 -1.0 2.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.97550 -1.0 2.0
   46    53    55    59   5.00000 -1.0 2.0
   46    53    55    75   5.00000 -1.0 2.0
   46    53    66    62   0.00000  1.0 1.0
   46    53    66    67  -0.22200  1.0 3.0
   46    53    66    72   0.00000  1.0 1.0
   47    46    53    55   2.00000 -1.0 2.0
   47    46    53    66   2.00000 -1.0 2.0
   53    55    59    60   7.00000 -1.0 2.0
   53    55   -59    62   7.00000 -1.0 2.0
   53    55    75    68   1.50000 -1.0 2.0
   53    55    75    76  -0.52200  1.0 1.0
   53    55    75    76   0.82950 -1.0 2.0
   53    66    72    73   0.30150 -1.0 2.0
   53    66    72    74   0.30150 -1.0 2.0
   55    53   -66    62   0.00000  1.0 1.0
   55    53    66    67   0.00000  1.0 1.0
   55    53    66    72   0.00000  1.0 1.0
   55    59    60    61  -0.18600  1.0 3.0
   55    59    60    65   0.28850  1.0 1.0
   55    59    60    65   2.61350 -1.0 2.0
   55    59    60    65   0.78400  1.0 3.0
   55    59    62    63   0.00000  1.0 1.0
   55    59    62    64   0.00000  1.0 1.0
   55    59   -62    66   0.09850  1.0 1.0
   55    59   -62    66   0.15250 -1.0 2.0
   55    59   -62    66  -0.50650  1.0 3.0
   59    55    75    68  -0.56150  1.0 1.0
   59    55    75    68   2.19150 -1.0 2.0
   59    55    75    76   1.00000 -1.0 2.0
   59    60   -65    68   7.00000 -1.0 2.0
   59    60    65    69   7.00000 -1.0 2.0
   59    62   -66    53   0.56750  1.0 1.0
   59    62   -66    53  -0.07550 -1.0 2.0
   59    62   -66    53   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    72  -0.98800  1.0 1.0
   59    62    66    72   0.48800 -1.0 2.0
   59    62    66    72   0.76800  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   60    59    62    66   0.98200  1.0 1.0
   60    59    62    66  -0.11900 -1.0 2.0
   60    59    62    66   0.24250  1.0 3.0
   60    65    68    75  -1.93650  1.0 1.0
   60    65    68    75   2.17750 -1.0 2.0
   60    65    68    75  -0.40250  1.0 3.0
   60    65    69    70  -0.04000 -1.0 2.0
   60    65    69    70  -0.29050  1.0 3.0
   60    65    69    71  -0.04000 -1.0 2.0
   60    65    69    71  -0.29050  1.0 3.0
   61    60    65    68   7.00000 -1.0 2.0
   61    60    65    69   7.00000 -1.0 2.0
   65    68   -75    55   2.00000 -1.0 2.0
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   68    65    69    70  -0.11900  1.0 1.0
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   68    65    69    71  -0.11900  1.0 1.0
   68    65    69    71   0.76850 -1.0 2.0
   68    65    69    71   0.14100  1.0 3.0
   75    55   -59    60   7.00000 -1.0 2.0
   75    55    59    62   7.00000 -1.0 2.0
   69    65    68    75   2.00000 -1.0 2.0
   62    59    60    61   0.00000  1.0 1.0
   62    59    60    65  -0.18600  1.0 3.0
   62    66    72    73   0.00000  1.0 1.0
   62    66    72    74   0.00000  1.0 1.0
   63    62    66    53   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    72  -0.03800  1.0 3.0
   64    62    66    53   0.15000  1.0 3.0
   64    62    66    67   0.15000  1.0 3.0
   64    62    66    72  -0.03800  1.0 3.0
   66    53   -55    59   5.00000 -1.0 2.0
   66    53    55    75   5.00000 -1.0 2.0
   67    66    72    73   0.00000  1.0 1.0
   67    66    72    74   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   49    54    48    44   1.00000 -1.0 2.0
   33    48    54    56   1.10000 -1.0 2.0
   57    58    56    54   1.10000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   42    47    46    53  10.50000 -1.0 2.0
   55    66    53    46   1.00000 -1.0 2.0
   53    75    55    59   1.10000 -1.0 2.0
   60    62    59    55   1.10000 -1.0 2.0
   59    61    60    65   1.10000 -1.0 2.0
   69    68    65    60   1.10000 -1.0 2.0
   55    68    75    76  10.50000 -1.0 2.0
   70    65    69    71  10.50000 -1.0 2.0
   73    66    72    74  10.50000 -1.0 2.0
END
