* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    143    239     430
    1     0 S   NP   _N1_     1    28.78112    96.63729   -23.18838
    2     1 S   H    _HN1     2     1.02948    71.23325     8.52464
    3     1 S   H    _H1_     3     1.02827    39.48297   162.72188
    4     1 S   H    _H2_     4     1.02789   104.29198   -96.36454
    5     1 S   CT   _CA1     5     1.50121   140.00034   108.19432
    6     5 S   HC   _HA1     6     1.09573   105.17537    92.88541
    7     5 S   CO3  _C1_     7     1.53779   112.47394   -27.33378
    8     7 S   O2Z  _O11     8     1.26376   115.00253   -42.20626
    9     7 S   O2Z  _O12     9     1.26238   114.94682   136.85927
   10     5 S   CT   _CB1    10     1.53068   107.41216  -149.13104
   11    10 S   HC   HB11    11     1.09837   109.35224   -49.45512
   12    10 S   HC   HB12    12     1.09811   110.46049    67.14900
   13    10 S   CT   _CG1    13     1.53003   112.62335  -170.40736
   14    13 S   HC   HG11    14     1.09575   110.68620   -66.58669
   15    13 S   HC   HG12    15     1.09671   109.73719    52.65564
   16    13 S   C    _CD1    16     1.51804   112.11197   173.12596
   17    16 S   O    _OE1    17     1.22742   123.23766     9.89527
   18    16 S   N    _N2_    18     1.38646   111.75433  -170.21709
   19    18 S   H    _HN2    19     1.01577   118.95649     1.40054
   20    18 S   CT1  _CA2    20     1.46221   123.38445   176.90902
   21    20 S   HC   _HA2    21     1.09738   109.36463     4.87194
   22    20 S   C    _C2_    22     1.53612   108.52768  -110.59890
   23    22 S   O    _O2_    23     1.23059   122.30713  -147.09859
   24    20 S   CT   _CB2    32     1.53465   111.67316   126.91218
   25    24 S   HC   HB21    33     1.09468   109.55214    56.81111
   26    24 S   HC   HB22    34     1.09314   109.66743   175.51930
   27    22 S   N    _N3_    24     1.38338   113.73165    40.28700
   28    27 S   H    _HN3    25     1.01566   119.61060    -3.08509
   29    24 S   S    _SG2    35     1.82982   111.16879   -64.05028
   30    27 S   CT   _CA3    26     1.45283   123.23847   177.25077
   31    30 S   HC   HA31    27     1.09548   107.49735   -65.10355
   32    30 S   HC   HA32    28     1.09556   108.00698    51.34636
   33    29 S   CT   _C16    36     1.85901   101.82739  -175.21169
   34    30 S   CO3  _C3_    29     1.52968   114.06442   173.36277
   35    34 S   O2Z  _O31    30     1.26380   116.08034    -0.38917
   36    34 S   O2Z  _O32    31     1.26428   114.41313   179.66957
   37    33 S   CO4  _C17    37     1.51536   105.16772    78.21640
   38    37 S   O    _O35    38     1.22189   126.30900   -78.07068
   39    33 S   CT   _C15    55     1.53382   114.34472   -45.70927
   40    39 S   HC   _H7_    56     1.09528   113.17120    74.53013
   41    37 S   OS   _O36    39     1.36129   110.08104    99.59692
   42    39 S   OH   _O37    57     1.42361   111.39300   -48.00302
   43    42 S   HO   _H15    58     0.97233   107.69623  -175.87322
   44    41 S   CT   _C9_    40     1.43742   111.44464    16.38917
   45    44 S   HC   _H5_    41     1.09609   106.43361  -119.98161
   46    44 S   CT   _C8_    42     1.54171   107.57738   124.05811
   47    46 S   HC   _H4_    43     1.09514   110.78397    81.27196
   48    46 S   CT   _C7_    44     1.52571   115.24000  -149.25289
   49    48 S   HC   _H3_    45     1.10451   106.37992   179.48756
   50    48 S   CT   _C12    46     1.54068    97.04609    69.50953
   51    50 S   HC   _H6_    47     1.09531   110.83439   162.57343
   52    48 S   CM   _C5_    66     1.50834   120.07269   -63.54954
   53    50 S   CO4  _C13    48     1.51131    97.21310    48.73633
   54    53 S   O    _O33    49     1.21955   126.69393   146.70899
   55    50 S   CT   _C11    51     1.55645   114.88223   -67.93736
   56    52 S   CM   _C6_    67     1.34350   122.82399   149.46939
   57    56 S   HC   _H11    68     1.08548   121.33269   177.64931
   58    56 S   HC   _H12    69     1.08374   122.12295    -1.64521
   59    52 S   CT   _C4_    70     1.50490   116.99242   -35.77425
   60    59 S   HC   _H8_    71     1.09496   110.28100   -52.27515
   61    59 S   HC   _H9_    72     1.09358   110.82192    68.11990
   62    59 S   HC   _H10    73     1.09541   112.16119  -171.90553
   63    46 S   OS   _O34    50     1.44943   109.30754   -36.20783
   64    55 S   CT   _C14    52     1.54916   114.29506   149.03274
   65    64 S   HC   _H13    53     1.09552   111.91933    83.58000
   66    64 S   HC   _H14    54     1.09240   112.87241   -38.99393
   67    33 S   CT   _C10    59     1.56343   116.83561  -168.92188
   68    55 S   OH   _O38    64     1.43828   106.48879   -94.89943
   69    68 S   HO   _H16    65     0.97251   108.44633   -59.68430
   70    67 S   CT   _C18    60     1.54845   112.27098    24.55354
   71    70 S   HC   _H17    61     1.09585   111.56528    53.14606
   72    70 S   HC   _H18    62     1.09569   112.02322   -67.53683
   73    70 S   HC   _H19    63     1.08822   112.65308   173.32327
  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  12   5   4   3
  21   2   1   1  12   4  13   7   9   6   1  17   7  14   7  18
   8  15   8  10   6   2  11   6   2   1   3   2   1   1   1   6
   3   2   6   2   1   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    39    67    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    55    64    39    40    42    67    70  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    44    45    46    50    55    64    65    66    39    40    42    43    67    70    71    72    73    68  
   35    36  
   36  
    0  
   38    41    44    45    46    55    64    39    40    42    67    70  
   41    44    39    67  
   40    42    43    67    70    68    41    44    50    55    64    65    66  
   42    43    67    55    64    65    66  
   44    45    46    47    48    63    55    67    70  
   43    67    55    64    65    66  
   64  
   45    46    47    48    49    50    53    63    55    64    67    70    71    72    73    68    52  
   46    47    48    63    55    67    70  
   47    48    49    50    51    53    54    63    55    67    70    52    56    59  
   48    49    50    53    63    67    52  
   49    50    51    53    54    63    55    64    67    68    52    56    57    58    59    60    61    62  
   50    51    53    63    55    52    56    59  
   51    53    54    63    55    64    65    66    67    70    68    69    52    56    59  
   53    54    63    55    64    67    68    52  
   56    57    58    59    60    61    62    53    55    63  
   54    63    55    64    67    68  
   63    55  
   64    65    66    67    70    71    72    73    68    69    63  
   57    58    59    60    61    62  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   67  
   65    66    67    70    68    69  
   66    67    68  
   67    68  
   70    71    72    73    68    69  
   69    70  
    0  
   71    72    73  
   72    73  
   73  
    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   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    67   268.000  1.529
   37    38   570.000  1.229
   37    41   214.000  1.327
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    67   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    63   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    52   317.000  1.510
   50    51   340.000  1.090
   50    53   317.000  1.522
   50    55   268.000  1.529
   53    54   570.000  1.229
   53    63   214.000  1.327
   55    64   268.000  1.529
   55    67   268.000  1.529
   55    68   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   268.000  1.529
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   68    69   553.000  0.945
   52    56   549.000  1.340
   52    59   317.000  1.510
   56    57   340.000  1.080
   56    58   340.000  1.080
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   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  111.63000
   29    33    67    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    81.00000  111.40000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   33    67    44    58.35000  112.70000
   33    67    55    58.35000  112.70000
   33    67    70    58.35000  112.70000
   37    41    44    83.00000  116.90000
   41    37    38    83.00000  123.40000
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    67    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    46    63    50.00000  109.50000
   44    67    55    58.35000  112.70000
   44    67    70    58.35000  112.70000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    52    70.00000  112.02700
   46    63    53    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    53    63.00000  111.10000
   48    50    55    58.35000  112.70000
   48    52    56    70.00000  124.00000
   48    52    59    65.00000  117.92700
   50    48    49    37.50000  110.70000
   50    53    54    80.00000  120.40000
   50    53    63    81.00000  111.40000
   50    55    64    58.35000  112.70000
   50    55    67    58.35000  112.70000
   50    55    68    50.00000  109.50000
   53    50    51    35.00000  109.50000
   63    46    47    35.00000  109.50000
   63    46    48    50.00000  109.50000
   63    53    54    83.00000  123.40000
   55    50    51    37.50000  110.70000
   55    50    53    63.00000  111.10000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    39    58.35000  112.70000
   55    67    70    58.35000  112.70000
   55    68    69    55.00000  108.50000
   64    39    40    37.50000  110.70000
   64    39    42    50.00000  109.50000
   66    64    65    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    64    65    37.50000  110.70000
   39    64    66    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   67    33    37    63.00000  111.10000
   67    33    39    58.35000  112.70000
   67    44    45    37.50000  110.70000
   67    44    46    58.35000  112.70000
   67    55    64    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   68    55    64    50.00000  109.50000
   68    55    67    50.00000  109.50000
   52    48    49    35.00000  109.50000
   52    48    50    70.00000  112.02700
   52    56    57    35.00000  120.00000
   52    56    58    35.00000  120.00000
   52    59    60    35.00000  109.50000
   52    59    61    35.00000  109.50000
   52    59    62    35.00000  109.50000
   58    56    57    35.00000  117.00000
   59    52    56    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    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   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   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    41   0.40000  1.0 3.0
   29    33    39    64   0.44750  1.0 1.0
   29    33    39    64  -0.17800 -1.0 2.0
   29    33    39    64   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    67    44   0.44750  1.0 1.0
   29    33    67    44  -0.17800 -1.0 2.0
   29    33    67    44   0.20200  1.0 3.0
   29    33    67    55   0.44750  1.0 1.0
   29    33    67    55  -0.17800 -1.0 2.0
   29    33    67    55   0.20200  1.0 3.0
   29    33    67    70   0.44750  1.0 1.0
   29    33    67    70  -0.17800 -1.0 2.0
   29    33    67    70   0.20200  1.0 3.0
   33    37   -41    44   1.63150  1.0 1.0
   33    37   -41    44   2.92000 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   33    67    70    71   0.15000  1.0 3.0
   33    67    70    72   0.15000  1.0 3.0
   33    67    70    73   0.15000  1.0 3.0
   37    33    39    64  -0.95700  1.0 1.0
   37    33    39    64  -0.18200 -1.0 2.0
   37    33    39    64   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.09450  1.0 1.0
   37    33    39    42  -1.12950 -1.0 2.0
   37    33    39    42   0.54000  1.0 3.0
   37    33   -67    44  -0.95700  1.0 1.0
   37    33   -67    44  -0.18200 -1.0 2.0
   37    33   -67    44   0.29450  1.0 3.0
   37    33    67    55  -0.95700  1.0 1.0
   37    33    67    55  -0.18200 -1.0 2.0
   37    33    67    55   0.29450  1.0 3.0
   37    33    67    70  -0.95700  1.0 1.0
   37    33    67    70  -0.18200 -1.0 2.0
   37    33    67    70   0.29450  1.0 3.0
   37    41    44    45   0.08050  1.0 3.0
   37    41    44    46  -0.25900  1.0 1.0
   37    41    44    46  -0.47000 -1.0 2.0
   37    41    44    46   0.11750  1.0 3.0
   37    41   -44    67  -0.25900  1.0 1.0
   37    41   -44    67  -0.47000 -1.0 2.0
   37    41   -44    67   0.11750  1.0 3.0
   38    37    41    44   3.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    46    63   1.11900  1.0 1.0
   41    44    46    63  -1.16350 -1.0 2.0
   41    44    46    63  -0.34150  1.0 3.0
   41    44   -67    33   0.62750  1.0 1.0
   41    44   -67    33  -0.30950 -1.0 2.0
   41    44   -67    33   0.27300  1.0 3.0
   41    44    67    55   0.62750  1.0 1.0
   41    44    67    55  -0.30950 -1.0 2.0
   41    44    67    55   0.27300  1.0 3.0
   41    44    67    70   0.62750  1.0 1.0
   41    44    67    70  -0.30950 -1.0 2.0
   41    44    67    70   0.27300  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.56750  1.0 1.0
   44    46    48    50  -0.07550 -1.0 2.0
   44    46    48    50   0.20000  1.0 3.0
   44    46    48    52   0.34400  1.0 1.0
   44    46    48    52   0.09450 -1.0 2.0
   44    46    48    52   0.11100  1.0 3.0
   44    46    63    53  -0.25900  1.0 1.0
   44    46    63    53  -0.47000 -1.0 2.0
   44    46    63    53   0.11750  1.0 3.0
   44    67    70    71   0.15000  1.0 3.0
   44    67    70    72   0.15000  1.0 3.0
   44    67    70    73   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    63   0.23400  1.0 3.0
   45    44    67    33   0.15000  1.0 3.0
   45    44    67    55   0.15000  1.0 3.0
   45    44    67    70   0.15000  1.0 3.0
   46    44    67    33   0.56750  1.0 1.0
   46    44    67    33  -0.07550 -1.0 2.0
   46    44    67    33   0.20000  1.0 3.0
   46    44    67    55   0.56750  1.0 1.0
   46    44    67    55  -0.07550 -1.0 2.0
   46    44    67    55   0.20000  1.0 3.0
   46    44    67    70   0.56750  1.0 1.0
   46    44    67    70  -0.07550 -1.0 2.0
   46    44    67    70   0.20000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48   -50    53  -0.95700  1.0 1.0
   46    48   -50    53  -0.18200 -1.0 2.0
   46    48   -50    53   0.29450  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    48    52    56   0.09850  1.0 1.0
   46    48    52    56   0.15250 -1.0 2.0
   46    48    52    56  -0.50650  1.0 3.0
   46    48    52    59   0.46850  1.0 1.0
   46    48    52    59   0.08550 -1.0 2.0
   46    48    52    59   0.09800  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    63    53   0.08050  1.0 3.0
   48    46   -63    53  -0.25900  1.0 1.0
   48    46   -63    53  -0.47000 -1.0 2.0
   48    46   -63    53   0.11750  1.0 3.0
   48    50    53    54   0.30150 -1.0 2.0
   48    50   -53    63   0.36750  1.0 3.0
   48    50    55    64   0.56750  1.0 1.0
   48    50    55    64  -0.07550 -1.0 2.0
   48    50    55    64   0.20000  1.0 3.0
   48    50    55    67   0.56750  1.0 1.0
   48    50    55    67  -0.07550 -1.0 2.0
   48    50    55    67   0.20000  1.0 3.0
   48    50    55    68   0.86500  1.0 1.0
   48    50    55    68  -0.17500 -1.0 2.0
   48    50    55    68   0.20800  1.0 3.0
   48    52    56    57   7.00000 -1.0 2.0
   48    52    56    58   7.00000 -1.0 2.0
   48    52    59    60   0.34800  1.0 3.0
   48    52    59    61   0.34800  1.0 3.0
   48    52    59    62   0.34800  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    53  -0.11250  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    52    56   0.00000  1.0 1.0
   49    48    52    59   0.34800  1.0 3.0
   50    48    52    56   0.09850  1.0 1.0
   50    48    52    56   0.15250 -1.0 2.0
   50    48    52    56  -0.50650  1.0 3.0
   50    48    52    59   0.46850  1.0 1.0
   50    48    52    59   0.08550 -1.0 2.0
   50    48    52    59   0.09800  1.0 3.0
   50    53   -63    46   1.63150  1.0 1.0
   50    53   -63    46   2.92000 -1.0 2.0
   50    55    64    65   0.15000  1.0 3.0
   50    55    64    66   0.15000  1.0 3.0
   50    55    64    39   0.56750  1.0 1.0
   50    55    64    39  -0.07550 -1.0 2.0
   50    55    64    39   0.20000  1.0 3.0
   50    55    67    33   0.56750  1.0 1.0
   50    55    67    33  -0.07550 -1.0 2.0
   50    55    67    33   0.20000  1.0 3.0
   50    55   -67    44   0.56750  1.0 1.0
   50    55   -67    44  -0.07550 -1.0 2.0
   50    55   -67    44   0.20000  1.0 3.0
   50    55    67    70   0.56750  1.0 1.0
   50    55    67    70  -0.07550 -1.0 2.0
   50    55    67    70   0.20000  1.0 3.0
   50    55    68    69  -0.11600  1.0 1.0
   50    55    68    69  -0.09450 -1.0 2.0
   50    55    68    69   0.21250  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    63   0.00000  1.0 1.0
   51    50    55    64   0.15000  1.0 3.0
   51    50    55    67   0.15000  1.0 3.0
   51    50    55    68   0.23400  1.0 3.0
   53    50    55    64  -0.95700  1.0 1.0
   53    50    55    64  -0.18200 -1.0 2.0
   53    50    55    64   0.29450  1.0 3.0
   53    50    55    67  -0.95700  1.0 1.0
   53    50    55    67  -0.18200 -1.0 2.0
   53    50    55    67   0.29450  1.0 3.0
   53    50    55    68  -0.09450  1.0 1.0
   53    50    55    68  -1.12950 -1.0 2.0
   53    50    55    68   0.54000  1.0 3.0
   54    53    63    46   3.00000 -1.0 2.0
   63    46    48    49   0.23400  1.0 3.0
   63    46   -48    50   0.62750  1.0 1.0
   63    46   -48    50  -0.30950 -1.0 2.0
   63    46   -48    50   0.27300  1.0 3.0
   63    46    48    52   0.61850  1.0 1.0
   63    46    48    52  -0.22750 -1.0 2.0
   63    46    48    52   0.15300  1.0 3.0
   55    50    53    54   0.30150 -1.0 2.0
   55    50    53    63   0.36750  1.0 3.0
   55    64   -39    33   0.56750  1.0 1.0
   55    64   -39    33  -0.07550 -1.0 2.0
   55    64   -39    33   0.20000  1.0 3.0
   55    64    39    40   0.15000  1.0 3.0
   55    64    39    42   0.86500  1.0 1.0
   55    64    39    42  -0.17500 -1.0 2.0
   55    64    39    42   0.20800  1.0 3.0
   55    67    70    71   0.15000  1.0 3.0
   55    67    70    72   0.15000  1.0 3.0
   55    67    70    73   0.15000  1.0 3.0
   64    55   -67    33   0.56750  1.0 1.0
   64    55   -67    33  -0.07550 -1.0 2.0
   64    55   -67    33   0.20000  1.0 3.0
   64    55    67    44   0.56750  1.0 1.0
   64    55    67    44  -0.07550 -1.0 2.0
   64    55    67    44   0.20000  1.0 3.0
   64    55    67    70   0.56750  1.0 1.0
   64    55    67    70  -0.07550 -1.0 2.0
   64    55    67    70   0.20000  1.0 3.0
   64    55    68    69  -0.11600  1.0 1.0
   64    55    68    69  -0.09450 -1.0 2.0
   64    55    68    69   0.21250  1.0 3.0
   64    39    42    43  -0.11600  1.0 1.0
   64    39    42    43  -0.09450 -1.0 2.0
   64    39    42    43   0.21250  1.0 3.0
   65    64    39    33   0.15000  1.0 3.0
   65    64    39    40   0.15000  1.0 3.0
   65    64    39    42   0.23400  1.0 3.0
   66    64    39    33   0.15000  1.0 3.0
   66    64    39    40   0.15000  1.0 3.0
   66    64    39    42   0.23400  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.36750  1.0 3.0
   39    33    67    44   0.56750  1.0 1.0
   39    33    67    44  -0.07550 -1.0 2.0
   39    33    67    44   0.20000  1.0 3.0
   39    33   -67    55   0.56750  1.0 1.0
   39    33   -67    55  -0.07550 -1.0 2.0
   39    33   -67    55   0.20000  1.0 3.0
   39    33    67    70   0.56750  1.0 1.0
   39    33    67    70  -0.07550 -1.0 2.0
   39    33    67    70   0.20000  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   67    33    37    38   0.30150 -1.0 2.0
   67    33   -37    41   0.36750  1.0 3.0
   67    33   -39    64   0.56750  1.0 1.0
   67    33   -39    64  -0.07550 -1.0 2.0
   67    33   -39    64   0.20000  1.0 3.0
   67    33    39    40   0.15000  1.0 3.0
   67    33    39    42   0.86500  1.0 1.0
   67    33    39    42  -0.17500 -1.0 2.0
   67    33    39    42   0.20800  1.0 3.0
   67    44    46    47   0.15000  1.0 3.0
   67    44   -46    48   0.56750  1.0 1.0
   67    44   -46    48  -0.07550 -1.0 2.0
   67    44   -46    48   0.20000  1.0 3.0
   67    44    46    63   0.62750  1.0 1.0
   67    44    46    63  -0.30950 -1.0 2.0
   67    44    46    63   0.27300  1.0 3.0
   67    55    64    65   0.15000  1.0 3.0
   67    55    64    66   0.15000  1.0 3.0
   67    55   -64    39   0.56750  1.0 1.0
   67    55   -64    39  -0.07550 -1.0 2.0
   67    55   -64    39   0.20000  1.0 3.0
   67    55    68    69  -0.11600  1.0 1.0
   67    55    68    69  -0.09450 -1.0 2.0
   67    55    68    69   0.21250  1.0 3.0
   68    55    64    65   0.23400  1.0 3.0
   68    55    64    66   0.23400  1.0 3.0
   68    55    64    39   0.86500  1.0 1.0
   68    55    64    39  -0.17500 -1.0 2.0
   68    55    64    39   0.20800  1.0 3.0
   68    55    67    33   0.86500  1.0 1.0
   68    55    67    33  -0.17500 -1.0 2.0
   68    55    67    33   0.20800  1.0 3.0
   68    55    67    44   0.86500  1.0 1.0
   68    55    67    44  -0.17500 -1.0 2.0
   68    55    67    44   0.20800  1.0 3.0
   68    55    67    70   0.86500  1.0 1.0
   68    55    67    70  -0.17500 -1.0 2.0
   68    55    67    70   0.20800  1.0 3.0
   52    48    50    51   0.15000  1.0 3.0
   52    48    50    53  -0.98800  1.0 1.0
   52    48    50    53   0.48800 -1.0 2.0
   52    48    50    53   0.76800  1.0 3.0
   52    48    50    55   0.34400  1.0 1.0
   52    48    50    55   0.09450 -1.0 2.0
   52    48    50    55   0.11100  1.0 3.0
   56    52    59    60   0.00000  1.0 1.0
   56    52    59    61   0.00000  1.0 1.0
   56    52    59    62   0.00000  1.0 1.0
   59    52    56    57   7.00000 -1.0 2.0
   59    52    56    58   7.00000 -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    38  10.50000 -1.0 2.0
   50    63    53    54  10.50000 -1.0 2.0
   48    59    52    56  15.00000 -1.0 2.0
   57    58    56    52  15.00000 -1.0 2.0
END
