* LIGAND DATABASE FILE (OPLS2005)
*
001      71    73    137    222     411
    1     0 S   NP   _N1_     1    28.82481    96.32330   -24.51067
    2     1 S   H    _HN1     2     1.02792   113.06010   -96.20996
    3     1 S   H    _H1_     3     1.02948    72.12561     6.64948
    4     1 S   H    _H2_     4     1.02828    35.65628   174.98593
    5     1 S   CT   _CA1     5     1.50119   130.76721   108.53794
    6     5 S   HC   _HA1     6     1.09574   105.17222    94.12096
    7     5 S   CO3  _C1_     7     1.53767   112.44798   -26.09123
    8     7 S   O2Z  _O11     8     1.26373   115.00933   -43.09149
    9     7 S   O2Z  _O12     9     1.26235   114.93425   135.94389
   10     5 S   CT   _CB1    10     1.53063   107.40865  -147.92680
   11    10 S   HC   HB11    11     1.09839   109.32294   -49.62305
   12    10 S   HC   HB12    12     1.09810   110.47759    66.96477
   13    10 S   CT   _CG1    13     1.53017   112.64079  -170.57473
   14    13 S   HC   HG11    14     1.09573   110.70292   -66.98494
   15    13 S   HC   HG12    15     1.09670   109.72574    52.26585
   16    13 S   C    _CD1    16     1.51812   112.04406   172.71940
   17    16 S   O    _OE1    17     1.22753   123.20381    10.75407
   18    16 S   N    _N2_    18     1.38650   111.80536  -169.26993
   19    18 S   H    _HN2    19     1.01580   118.98606     1.11592
   20    18 S   CT1  _CA2    20     1.46212   123.35364   176.68418
   21    20 S   HC   _HA2    21     1.09740   109.28462     6.17628
   22    20 S   C    _C2_    22     1.53638   108.82280  -109.30707
   23    22 S   O    _O2_    23     1.23077   122.23872  -148.79933
   24    20 S   CT   _CB2    32     1.53323   111.66283   128.14171
   25    24 S   HC   HB21    33     1.09531   110.03342    56.94779
   26    24 S   HC   HB22    34     1.09521   110.08179   175.98380
   27    22 S   N    _N3_    24     1.38314   113.83405    38.70355
   28    27 S   H    _HN3    25     1.01555   119.60798    -3.26039
   29    24 S   S    _SG2    35     1.82716   111.49514   -64.26746
   30    27 S   CT   _CA3    26     1.45288   123.27861   177.16131
   31    30 S   HC   HA31    27     1.09547   107.50826   -64.84231
   32    30 S   HC   HA32    28     1.09555   108.00065    51.61605
   33    29 S   CT   _C11    36     1.83611    99.52850  -175.91103
   34    33 S   HC   _H3_    37     1.09542   108.99270    44.08979
   35    30 S   CO3  _C3_    29     1.52975   114.03867   173.61589
   36    35 S   O2Z  _O31    30     1.26383   116.06646    -0.57437
   37    35 S   O2Z  _O32    31     1.26423   114.42263   179.48909
   38    33 S   CM   _C4_    38     1.49332   108.66239   -76.94734
   39    38 S   HC   _H20    39     1.08312   122.71856    72.98311
   40    38 S   CMA  _C5_    40     1.34307   113.97356  -104.95285
   41    40 S   OM   _O16    41     1.25900   132.77997   176.77499
   42    40 S   CT   _C16    42     1.55612   109.99791    -1.68144
   43    42 S   CT   _C9_    43     1.56261   111.62029  -136.09520
   44    43 S   HC   _H23    44     1.10005   109.37587    25.44347
   45    43 S   HC   _H24    45     1.09942   108.59968   -88.43838
   46    33 S   CT   _C13    59     1.55847   117.40082   168.60359
   47    46 S   HC   _H29    60     1.10350   104.40011  -158.51240
   48    42 S   CT   _C18    68     1.55032   108.06931   102.73006
   49    48 S   HC   _H35    69     1.09036   113.00790  -168.88800
   50    48 S   HC   _H36    70     1.09693   111.08317    71.09893
   51    48 S   HC   _H37    71     1.09396   112.41464   -47.82134
   52    43 S   CT   _C12    46     1.52860   118.11759   146.19058
   53    52 S   HC   _H28    47     1.09924   108.64414   -80.48164
   54    52 S   CM   _C6_    48     1.49421   115.58349   160.13412
   55    54 S   CO4  _C7_    49     1.47612   108.40902  -147.90083
   56    55 S   O    _O17    50     1.21734   127.20626  -169.68018
   57    54 S   CM   _C8_    65     1.33611   130.06751    31.06394
   58    57 S   HC   _H21    66     1.08482   121.10642     0.87626
   59    57 S   HC   _H22    67     1.08520   121.69206  -179.36326
   60    55 S   OS   _O18    51     1.36206   106.84730     9.05161
   61    52 S   CT   _C15    52     1.51492   115.48612    43.25031
   62    61 S   HC   _H31    53     1.09312   113.61746    37.68681
   63    61 S   CT   _C10    54     1.52287   112.53831   -90.09696
   64    63 S   HC   _H25    55     1.10008   108.02912   -56.14519
   65    63 S   HC   _H26    56     1.09964   107.91286  -167.99460
   66    63 S   CT   _C14    57     1.54509   118.39699    68.74477
   67    66 S   HC   _H30    58     1.09604   107.50008    75.80806
   68    66 S   CT   _C17    61     1.54439   105.56445  -169.93628
   69    68 S   HC   _H32    62     1.09579   110.92873    69.06358
   70    68 S   HC   _H33    63     1.09610   110.70536   -50.59638
   71    68 S   HC   _H34    64     1.09089   112.97984  -169.87700
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  17  18   7   6  16   5   5
   2   1   1  14   7   9   8   3   4   1   1   6   7   4   8   4
   3   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    66    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    63    66    67    46    47    68    48  
   38    39    40    42    66    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    66    46    47    48  
   40    41    42    46  
   41    42    43    44    45    52    66    46    47    48    49    50    51  
   42    43    46    48  
   43    44    45    52    53    54    61    63    66    67    46    47    68    48    49    50    51  
   44    45    52    53    54    55    60    61    62    63    66    46    47    57    48    49    50    51  
   45    52    53    54    61    46    48  
   52    53    54    61    46    48  
   47    68    69    70    71    48    49    50    51    52    61    63    64    65    66    67  
   68    48    63    66    67  
   49    50    51    52    66  
   50    51  
   51  
    0  
   53    54    55    56    60    61    62    63    64    65    66    57    58    59  
   54    55    60    61    62    63    57  
   55    56    60    61    62    63    57    58    59  
   56    60    61    62    63    57    58    59  
   60    61    57  
   58    59    60    61  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    68  
   63    64    65    66  
   64    65    66    67    68    69    70    71  
   65    66    67    68  
   66    67    68  
   67    68    69    70    71  
   68    69    70    71  
   69    70    71  
   70    71  
   71  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   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    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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    46   268.000  1.529
   42    48   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   268.000  1.529
   52    53   340.000  1.090
   52    54   317.000  1.510
   52    61   268.000  1.529
   54    55   320.000  1.462
   54    57   549.000  1.340
   55    56   570.000  1.229
   55    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    46   268.000  1.529
   66    68   268.000  1.529
   46    47   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   57    58   340.000  1.080
   57    59   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    42    58.35000  112.70000
   33    46    66    58.35000  112.70000
   33    46    47    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    46    70.00000  112.02700
   40    42    48    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    52    58.35000  112.70000
   42    46    66    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    70.00000  112.02700
   43    52    61    58.35000  112.70000
   45    43    44    33.00000  107.80000
   52    43    44    37.50000  110.70000
   52    43    45    37.50000  110.70000
   52    54    55    65.00000  116.34900
   52    54    57    70.00000  124.00000
   52    61    60    50.00000  109.50000
   52    61    62    37.50000  110.70000
   52    61    63    58.35000  112.70000
   54    52    53    35.00000  109.50000
   54    55    56    80.00000  123.72100
   54    55    60    90.00000  111.29400
   54    57    58    35.00000  120.00000
   54    57    59    35.00000  120.00000
   55    60    61    83.00000  116.90000
   60    55    56    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   61    52    53    37.50000  110.70000
   61    52    54    70.00000  112.02700
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    58.35000  112.70000
   63    61    62    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    46    58.35000  112.70000
   63    66    68    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    46    47    37.50000  110.70000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    71    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    42    43    58.35000  112.70000
   46    66    67    37.50000  110.70000
   68    66    67    37.50000  110.70000
   68    66    46    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   57    54    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   48    42    43    58.35000  112.70000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    42   0.44750  1.0 1.0
   29    33    46    42  -0.17800 -1.0 2.0
   29    33    46    42   0.20200  1.0 3.0
   29    33    46    66   0.44750  1.0 1.0
   29    33    46    66  -0.17800 -1.0 2.0
   29    33    46    66   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    42   0.15000  1.0 3.0
   34    33    46    66   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   38    33   -46    42   0.34400  1.0 1.0
   38    33   -46    42   0.09450 -1.0 2.0
   38    33   -46    42   0.11100  1.0 3.0
   38    33    46    66   0.34400  1.0 1.0
   38    33    46    66   0.09450 -1.0 2.0
   38    33    46    66   0.11100  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    46   0.09850  1.0 1.0
   38    40   -42    46   0.15250 -1.0 2.0
   38    40   -42    46  -0.50650  1.0 3.0
   38    40    42    48   0.09850  1.0 1.0
   38    40    42    48   0.15250 -1.0 2.0
   38    40    42    48  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    45   0.15000  1.0 3.0
   40    42    43    52   0.34400  1.0 1.0
   40    42    43    52   0.09450 -1.0 2.0
   40    42    43    52   0.11100  1.0 3.0
   40    42   -46    33   0.34400  1.0 1.0
   40    42   -46    33   0.09450 -1.0 2.0
   40    42   -46    33   0.11100  1.0 3.0
   40    42    46    66   0.34400  1.0 1.0
   40    42    46    66   0.09450 -1.0 2.0
   40    42    46    66   0.11100  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    48    49   0.15000  1.0 3.0
   40    42    48    50   0.15000  1.0 3.0
   40    42    48    51   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   41    40    42    48   0.09700  1.0 1.0
   41    40    42    48   0.15600 -1.0 2.0
   41    40    42    48  -0.50800  1.0 3.0
   42    43    52    53   0.15000  1.0 3.0
   42    43    52    54   0.34400  1.0 1.0
   42    43    52    54   0.09450 -1.0 2.0
   42    43    52    54   0.11100  1.0 3.0
   42    43    52    61   0.56750  1.0 1.0
   42    43    52    61  -0.07550 -1.0 2.0
   42    43    52    61   0.20000  1.0 3.0
   43    42    46    33   0.56750  1.0 1.0
   43    42    46    33  -0.07550 -1.0 2.0
   43    42    46    33   0.20000  1.0 3.0
   43    42    46    66   0.56750  1.0 1.0
   43    42    46    66  -0.07550 -1.0 2.0
   43    42    46    66   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    52    54    55   0.09700  1.0 1.0
   43    52    54    55   0.15600 -1.0 2.0
   43    52    54    55  -0.50800  1.0 3.0
   43    52    54    57   0.09850  1.0 1.0
   43    52    54    57   0.15250 -1.0 2.0
   43    52    54    57  -0.50650  1.0 3.0
   43    52    61    60   0.62750  1.0 1.0
   43    52    61    60  -0.30950 -1.0 2.0
   43    52    61    60   0.27300  1.0 3.0
   43    52    61    62   0.15000  1.0 3.0
   43    52    61    63   0.56750  1.0 1.0
   43    52    61    63  -0.07550 -1.0 2.0
   43    52    61    63   0.20000  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    61   0.15000  1.0 3.0
   45    43    52    53   0.15000  1.0 3.0
   45    43    52    54   0.15000  1.0 3.0
   45    43    52    61   0.15000  1.0 3.0
   52    54    55    56  -0.64400  1.0 1.0
   52    54    55    56   0.26850 -1.0 2.0
   52    54   -55    60  -0.15000  1.0 1.0
   52    54   -55    60   0.89550 -1.0 2.0
   52    54   -55    60  -0.06900  1.0 3.0
   52    54    57    58   7.00000 -1.0 2.0
   52    54    57    59   7.00000 -1.0 2.0
   52    61    63    64   0.15000  1.0 3.0
   52    61    63    65   0.15000  1.0 3.0
   52    61    63    66   0.56750  1.0 1.0
   52    61    63    66  -0.07550 -1.0 2.0
   52    61    63    66   0.20000  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    57   0.00000  1.0 1.0
   53    52    61    60   0.23400  1.0 3.0
   53    52    61    62   0.15000  1.0 3.0
   53    52    61    63   0.15000  1.0 3.0
   54    52   -61    60   0.61850  1.0 1.0
   54    52   -61    60  -0.22750 -1.0 2.0
   54    52   -61    60   0.15300  1.0 3.0
   54    52    61    62   0.15000  1.0 3.0
   54    52    61    63   0.34400  1.0 1.0
   54    52    61    63   0.09450 -1.0 2.0
   54    52    61    63   0.11100  1.0 3.0
   54    55   -60    61   2.00000 -1.0 2.0
   55    54    57    58   7.00000 -1.0 2.0
   55    54    57    59   7.00000 -1.0 2.0
   55    60   -61    52  -0.25900  1.0 1.0
   55    60   -61    52  -0.47000 -1.0 2.0
   55    60   -61    52   0.11750  1.0 3.0
   55    60    61    62   0.08050  1.0 3.0
   55    60    61    63  -0.25900  1.0 1.0
   55    60    61    63  -0.47000 -1.0 2.0
   55    60    61    63   0.11750  1.0 3.0
   56    55    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66   0.62750  1.0 1.0
   60    61    63    66  -0.30950 -1.0 2.0
   60    61    63    66   0.27300  1.0 3.0
   61    52   -54    55   0.09700  1.0 1.0
   61    52   -54    55   0.15600 -1.0 2.0
   61    52   -54    55  -0.50800  1.0 3.0
   61    52    54    57   0.09850  1.0 1.0
   61    52    54    57   0.15250 -1.0 2.0
   61    52    54    57  -0.50650  1.0 3.0
   61    63    66    67   0.15000  1.0 3.0
   61    63    66    46   0.56750  1.0 1.0
   61    63    66    46  -0.07550 -1.0 2.0
   61    63    66    46   0.20000  1.0 3.0
   61    63    66    68   0.56750  1.0 1.0
   61    63    66    68  -0.07550 -1.0 2.0
   61    63    66    68   0.20000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   63    66    46    33   0.56750  1.0 1.0
   63    66    46    33  -0.07550 -1.0 2.0
   63    66    46    33   0.20000  1.0 3.0
   63    66    46    42   0.56750  1.0 1.0
   63    66    46    42  -0.07550 -1.0 2.0
   63    66    46    42   0.20000  1.0 3.0
   63    66    46    47   0.15000  1.0 3.0
   63    66    68    69   0.15000  1.0 3.0
   63    66    68    70   0.15000  1.0 3.0
   63    66    68    71   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    46   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    46   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   67    66    46    33   0.15000  1.0 3.0
   67    66    46    42   0.15000  1.0 3.0
   67    66    46    47   0.15000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    45   0.15000  1.0 3.0
   46    42    43    52   0.56750  1.0 1.0
   46    42    43    52  -0.07550 -1.0 2.0
   46    42    43    52   0.20000  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    66    68    69   0.15000  1.0 3.0
   46    66    68    70   0.15000  1.0 3.0
   46    66    68    71   0.15000  1.0 3.0
   68    66    46    33   0.56750  1.0 1.0
   68    66    46    33  -0.07550 -1.0 2.0
   68    66    46    33   0.20000  1.0 3.0
   68    66    46    42   0.56750  1.0 1.0
   68    66    46    42  -0.07550 -1.0 2.0
   68    66    46    42   0.20000  1.0 3.0
   68    66    46    47   0.15000  1.0 3.0
   57    54    55    56   1.00000 -1.0 2.0
   57    54    55    60  -0.56150  1.0 1.0
   57    54    55    60   2.19150 -1.0 2.0
   48    42    43    44   0.15000  1.0 3.0
   48    42    43    45   0.15000  1.0 3.0
   48    42    43    52   0.56750  1.0 1.0
   48    42    43    52  -0.07550 -1.0 2.0
   48    42    43    52   0.20000  1.0 3.0
   48    42    46    33   0.56750  1.0 1.0
   48    42    46    33  -0.07550 -1.0 2.0
   48    42    46    33   0.20000  1.0 3.0
   48    42    46    66   0.56750  1.0 1.0
   48    42    46    66  -0.07550 -1.0 2.0
   48    42    46    66   0.20000  1.0 3.0
   48    42    46    47   0.15000  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   52    55    54    57   1.10000 -1.0 2.0
   54    60    55    56  10.50000 -1.0 2.0
   58    59    57    54   1.10000 -1.0 2.0
END
