* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    216     415
    1     0 S   NP   _N1_     1    28.59709    95.23991   -21.97282
    2     1 S   H    _HN1     2     1.02779    93.60515   -81.54287
    3     1 S   H    _H1_     3     1.02959    84.49721    26.54620
    4     1 S   H    _H2_     4     1.02837    32.80180   160.39512
    5     1 S   CT   _CA1     5     1.50107   142.66754   143.37587
    6     5 S   HC   _HA1     6     1.09572   105.25257    68.89341
    7     5 S   CO3  _C1_     7     1.53800   112.39964   -51.38447
    8     7 S   O2Z  _O11     8     1.26362   115.00544   -43.70474
    9     7 S   O2Z  _O12     9     1.26237   114.93277   135.55693
   10     5 S   CT   _CB1    10     1.53105   107.44807  -173.13621
   11    10 S   HC   HB11    11     1.09824   109.40361   -50.49214
   12    10 S   HC   HB12    12     1.09820   110.38391    66.07819
   13    10 S   CT   _CG1    13     1.53009   112.64966  -171.57622
   14    13 S   HC   HG11    14     1.09595   110.45254   -62.84798
   15    13 S   HC   HG12    15     1.09649   109.98663    56.37451
   16    13 S   C    _CD1    16     1.51807   112.33598   176.79753
   17    16 S   O    _OE1    17     1.22717   123.27584    -2.17115
   18    16 S   N    _N2_    18     1.38633   111.60952   177.88863
   19    18 S   H    _HN2    19     1.01584   119.01468     1.59373
   20    18 S   CT1  _CA2    20     1.46185   123.39320  -179.42461
   21    20 S   HC   _HA2    21     1.09729   109.43234    -7.79077
   22    20 S   C    _C2_    22     1.53437   108.38273  -123.50522
   23    22 S   O    _O2_    23     1.23024   122.18898  -145.26639
   24    20 S   CT   _CB2    32     1.53369   111.46040   114.25833
   25    24 S   HC   HB21    33     1.09509   109.85692    56.47316
   26    24 S   HC   HB22    34     1.09529   110.23744   175.28740
   27    22 S   N    _N3_    24     1.38488   113.43861    42.00920
   28    27 S   H    _HN3    25     1.01514   118.95587    -0.53413
   29    24 S   S    _SG2    35     1.82831   111.81706   -65.09972
   30    27 S   CT   _CA3    26     1.45453   123.47024   175.19878
   31    30 S   HC   HA31    27     1.09520   109.29218    23.54538
   32    30 S   HC   HA32    28     1.09498   107.11413   140.55394
   33    29 S   CT   _C10    36     1.85481    99.53714   175.00617
   34    33 S   HC   _H4_    37     1.09735   106.91380    27.62557
   35    30 S   CO3  _C3_    29     1.52916   113.05003   -99.96958
   36    35 S   O2Z  _O31    30     1.26406   115.37193   -45.35868
   37    35 S   O2Z  _O32    31     1.26349   115.00322   135.55767
   38    33 S   CT   _C11    38     1.54843   106.13398   -85.98293
   39    38 S   HC   _H13    39     1.09898   109.28168    51.56616
   40    38 S   HC   _H14    40     1.09169   109.19237   -61.34736
   41    33 S   CT   _C9_    60     1.57366   111.27692   143.16250
   42    38 S   CT   _C12    41     1.53300   116.41725   173.30209
   43    42 S   HC   _H5_    42     1.08798   112.08806    29.97817
   44    41 S   CT   _C18    61     1.55180   109.55049   -58.71099
   45    44 S   HC   _H19    62     1.09638   110.79797   -50.93261
   46    44 S   HC   _H20    63     1.09705   110.87545  -168.24391
   47    44 S   HC   _H21    64     1.09392   112.79435    71.19540
   48    41 S   OH   _O35    65     1.43258   108.41889  -171.19123
   49    48 S   HO   _H22    66     0.97258   108.51128   179.14088
   50    42 S   CM   _C16    43     1.49330   118.56475   -92.91568
   51    50 S   CO4  _C15    44     1.48353   107.44865  -150.14008
   52    51 S   O    _O34    45     1.21727   127.11244  -166.55570
   53    50 S   CM   _C17    73     1.33523   130.77344    28.47116
   54    53 S   HC   _H17    74     1.08399   121.38488     0.95039
   55    53 S   HC   _H18    75     1.08539   121.51448  -179.22091
   56    51 S   OS   _O33    46     1.36777   106.91913    12.13268
   57    42 S   CT   _C13    47     1.52636   112.35414   153.11281
   58    57 S   HC   _H6_    48     1.10013   111.18273    47.11831
   59    57 S   CT   _C14    49     1.53884   115.94458   -75.86466
   60    59 S   HC   _H15    50     1.09810   109.08380  -162.11303
   61    59 S   HC   _H16    51     1.09516   108.51216    84.18139
   62    59 S   CM   _C5_    52     1.51654   115.78045   -39.70952
   63    62 S   CM   _C6_    53     1.35000   124.68468    98.19581
   64    63 S   HC   _H10    54     1.08980   117.75899   178.74852
   65    62 S   CT   _C4_    69     1.50659   115.17825   -82.50962
   66    65 S   HC   _H7_    70     1.09484   110.33155   -57.48702
   67    65 S   HC   _H8_    71     1.09520   112.31956  -177.35795
   68    65 S   HC   _H9_    72     1.09418   110.51900    62.67015
   69    63 S   CT   _C7_    55     1.50315   128.14573    -1.58832
   70    69 S   HC   _H3_    56     1.08692   112.48640     3.19408
   71    69 S   CT   _C8_    57     1.54237   115.21100  -123.93802
   72    71 S   HC   _H11    58     1.09840   107.77980  -176.84222
   73    71 S   HC   _H12    59     1.10138   106.02794   -65.95630
   74    69 S   OH   _O36    67     1.43559   105.95374   117.51240
   75    74 S   HO   _H23    68     0.97252   107.48566  -175.18871
  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
  19   8   2   1   1  15   6   5  14  14   7   9   4   3   2   5
   1   9   8   3   4   1   1   6   7   4  10   4   3  10  12   5
   4   2   1   1   6   5   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    71    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    57    69    71    72    73    41    44    45    46    47    48    49  
   38    39    40    42    71    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    51    56    57    58    59    71    41    44    48    53  
   40    42    43    50    57    41  
   42    43    50    57    41  
   44    45    46    47    48    49    74    42    63    69    70    71    72    73  
   43    50    51    52    56    57    58    59    60    61    62    53    54    55  
   50    51    56    57    58    59    53  
   45    46    47    48    49    69    71    72    73  
   46    47    48    71  
   47    48    71  
   48    71  
   49    69    71    72    73  
   71  
   51    52    56    57    58    59    53    54    55  
   52    56    57    58    59    53    54    55  
   56    57    53  
   54    55    56    57  
   55  
    0  
   57    58    59    60    61    62  
   58    59    60    61    62    63    65  
   59    60    61    62  
   60    61    62    63    64    69    65    66    67    68  
   61    62    63    65  
   62    63    65  
   63    64    69    70    71    74    65    66    67    68  
   64    69    70    71    72    73    74    75    65    66    67    68  
   69    70    71    74    65  
   66    67    68    69  
   67    68  
   68  
    0  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75  
   73    74  
   74  
   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   0.107500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    50   317.000  1.510
   42    57   268.000  1.529
   50    51   320.000  1.462
   50    53   549.000  1.340
   51    52   570.000  1.229
   51    56   214.000  1.327
   56    57   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   549.000  1.340
   62    65   317.000  1.510
   63    64   340.000  1.080
   63    69   317.000  1.510
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    41   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   74    75   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    71    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    70.00000  112.02700
   38    42    57    58.35000  112.70000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    50    51    65.00000  116.34900
   42    50    53    70.00000  124.00000
   42    57    56    50.00000  109.50000
   42    57    58    37.50000  110.70000
   42    57    59    58.35000  112.70000
   50    42    43    35.00000  109.50000
   50    51    52    80.00000  123.72100
   50    51    56    90.00000  111.29400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    83.00000  116.90000
   56    51    52    83.00000  123.40000
   56    57    58    35.00000  109.50000
   56    57    59    50.00000  109.50000
   57    42    43    37.50000  110.70000
   57    42    50    70.00000  112.02700
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    70.00000  112.02700
   59    57    58    37.50000  110.70000
   59    62    63    70.00000  124.00000
   59    62    65    65.00000  117.92700
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    63    64    35.00000  120.00000
   62    63    69    70.00000  124.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    35.00000  109.50000
   63    69    71    70.00000  112.02700
   63    69    74    90.00000  110.39200
   69    63    64    35.00000  117.00000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    41    58.35000  112.70000
   69    74    75    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    41    44    58.35000  112.70000
   71    41    48    50.00000  109.50000
   73    71    72    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    71    72    37.50000  110.70000
   41    71    73    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   74    69    70    35.00000  109.50000
   74    69    71    50.00000  109.50000
   65    62    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   53    50    51    65.00000  118.96000
   55    53    54    35.00000  117.00000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    71   0.44750  1.0 1.0
   29    33    41    71  -0.17800 -1.0 2.0
   29    33    41    71   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.34400  1.0 1.0
   33    38    42    50   0.09450 -1.0 2.0
   33    38    42    50   0.11100  1.0 3.0
   33    38    42    57   0.56750  1.0 1.0
   33    38    42    57  -0.07550 -1.0 2.0
   33    38    42    57   0.20000  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    71   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    71   0.56750  1.0 1.0
   38    33    41    71  -0.07550 -1.0 2.0
   38    33    41    71   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    51   0.09700  1.0 1.0
   38    42    50    51   0.15600 -1.0 2.0
   38    42    50    51  -0.50800  1.0 3.0
   38    42    50    53   0.09850  1.0 1.0
   38    42    50    53   0.15250 -1.0 2.0
   38    42    50    53  -0.50650  1.0 3.0
   38    42    57    56   0.62750  1.0 1.0
   38    42    57    56  -0.30950 -1.0 2.0
   38    42    57    56   0.27300  1.0 3.0
   38    42    57    58   0.15000  1.0 3.0
   38    42    57    59   0.56750  1.0 1.0
   38    42    57    59  -0.07550 -1.0 2.0
   38    42    57    59   0.20000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    50   0.15000  1.0 3.0
   39    38    42    57   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    57   0.15000  1.0 3.0
   42    50    51    52  -0.64400  1.0 1.0
   42    50    51    52   0.26850 -1.0 2.0
   42    50   -51    56  -0.15000  1.0 1.0
   42    50   -51    56   0.89550 -1.0 2.0
   42    50   -51    56  -0.06900  1.0 3.0
   42    50    53    54   7.00000 -1.0 2.0
   42    50    53    55   7.00000 -1.0 2.0
   42    57    59    60   0.15000  1.0 3.0
   42    57    59    61   0.15000  1.0 3.0
   42    57    59    62   0.34400  1.0 1.0
   42    57    59    62   0.09450 -1.0 2.0
   42    57    59    62   0.11100  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    53   0.00000  1.0 1.0
   43    42    57    56   0.23400  1.0 3.0
   43    42    57    58   0.15000  1.0 3.0
   43    42    57    59   0.15000  1.0 3.0
   50    42   -57    56   0.61850  1.0 1.0
   50    42   -57    56  -0.22750 -1.0 2.0
   50    42   -57    56   0.15300  1.0 3.0
   50    42    57    58   0.15000  1.0 3.0
   50    42    57    59   0.34400  1.0 1.0
   50    42    57    59   0.09450 -1.0 2.0
   50    42    57    59   0.11100  1.0 3.0
   50    51   -56    57   2.00000 -1.0 2.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -57    42  -0.25900  1.0 1.0
   51    56   -57    42  -0.47000 -1.0 2.0
   51    56   -57    42   0.11750  1.0 3.0
   51    56    57    58   0.08050  1.0 3.0
   51    56    57    59  -0.25900  1.0 1.0
   51    56    57    59  -0.47000 -1.0 2.0
   51    56    57    59   0.11750  1.0 3.0
   52    51    56    57   3.00000 -1.0 2.0
   56    57    59    60   0.23400  1.0 3.0
   56    57    59    61   0.23400  1.0 3.0
   56    57    59    62   0.61850  1.0 1.0
   56    57    59    62  -0.22750 -1.0 2.0
   56    57    59    62   0.15300  1.0 3.0
   57    42   -50    51   0.09700  1.0 1.0
   57    42   -50    51   0.15600 -1.0 2.0
   57    42   -50    51  -0.50800  1.0 3.0
   57    42    50    53   0.09850  1.0 1.0
   57    42    50    53   0.15250 -1.0 2.0
   57    42    50    53  -0.50650  1.0 3.0
   57    59    62    63   0.09850  1.0 1.0
   57    59    62    63   0.15250 -1.0 2.0
   57    59    62    63  -0.50650  1.0 3.0
   57    59    62    65   0.46850  1.0 1.0
   57    59    62    65   0.08550 -1.0 2.0
   57    59    62    65   0.09800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   59    62    63    64   7.00000 -1.0 2.0
   59    62    63    69   7.00000 -1.0 2.0
   59    62    65    66   0.34800  1.0 3.0
   59    62    65    67   0.34800  1.0 3.0
   59    62    65    68   0.34800  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    65   0.34800  1.0 3.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    65   0.34800  1.0 3.0
   62    63    69    70   0.00000  1.0 1.0
   62    63    69    71   0.09850  1.0 1.0
   62    63    69    71   0.15250 -1.0 2.0
   62    63    69    71  -0.50650  1.0 3.0
   62    63    69    74   0.67800  1.0 1.0
   62    63    69    74   0.47050 -1.0 2.0
   62    63    69    74  -0.62500  1.0 3.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    71    72   0.15000  1.0 3.0
   63    69    71    73   0.15000  1.0 3.0
   63    69    71    41   0.34400  1.0 1.0
   63    69    71    41   0.09450 -1.0 2.0
   63    69    71    41   0.11100  1.0 3.0
   63    69    74    75  -0.07800  1.0 1.0
   63    69    74    75  -0.21500 -1.0 2.0
   63    69    74    75  -0.03150  1.0 3.0
   64    63    69    70   0.33100  1.0 3.0
   64    63    69    71   0.00000  1.0 1.0
   64    63    69    74   0.00000  1.0 1.0
   69    71    41    33   0.56750  1.0 1.0
   69    71    41    33  -0.07550 -1.0 2.0
   69    71    41    33   0.20000  1.0 3.0
   69    71    41    44   0.56750  1.0 1.0
   69    71    41    44  -0.07550 -1.0 2.0
   69    71    41    44   0.20000  1.0 3.0
   69    71    41    48   0.86500  1.0 1.0
   69    71    41    48  -0.17500 -1.0 2.0
   69    71    41    48   0.20800  1.0 3.0
   70    69    71    72   0.15000  1.0 3.0
   70    69    71    73   0.15000  1.0 3.0
   70    69    71    41   0.15000  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75  -0.11600  1.0 1.0
   71    69    74    75  -0.09450 -1.0 2.0
   71    69    74    75   0.21250  1.0 3.0
   71    41    44    45   0.15000  1.0 3.0
   71    41    44    46   0.15000  1.0 3.0
   71    41    44    47   0.15000  1.0 3.0
   71    41    48    49  -0.11600  1.0 1.0
   71    41    48    49  -0.09450 -1.0 2.0
   71    41    48    49   0.21250  1.0 3.0
   72    71    41    33   0.15000  1.0 3.0
   72    71    41    44   0.15000  1.0 3.0
   72    71    41    48   0.23400  1.0 3.0
   73    71    41    33   0.15000  1.0 3.0
   73    71    41    44   0.15000  1.0 3.0
   73    71    41    48   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
   74    69    71    72   0.23400  1.0 3.0
   74    69    71    73   0.23400  1.0 3.0
   74    69    71    41   0.86500  1.0 1.0
   74    69    71    41  -0.17500 -1.0 2.0
   74    69    71    41   0.20800  1.0 3.0
   65    62    63    64   7.00000 -1.0 2.0
   65    62    63    69   7.00000 -1.0 2.0
   53    50    51    52   1.00000 -1.0 2.0
   53    50    51    56  -0.56150  1.0 1.0
   53    50    51    56   2.19150 -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
   36    30    35    37  10.50000 -1.0 2.0
   42    51    50    53   1.10000 -1.0 2.0
   50    56    51    52  10.50000 -1.0 2.0
   59    65    62    63   1.10000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
