* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    135    207     389
    1     0 S   NP   _N1_     1    28.75995    96.54912   -23.59312
    2     1 S   H    _HN1     2     1.02944    70.22095    -3.50431
    3     1 S   H    _H1_     3     1.02825    38.41993   159.82725
    4     1 S   H    _H2_     4     1.02799   110.10400  -106.47786
    5     1 S   CT   _CA1     5     1.50141   134.60103    96.08942
    6     5 S   HC   _HA1     6     1.09573   105.15975    95.95606
    7     5 S   CO3  _C1_     7     1.53787   112.24988   -24.24945
    8     7 S   O2Z  _O11     8     1.26384   115.00789   -46.51510
    9     7 S   O2Z  _O12     9     1.26216   114.95632   132.22457
   10     5 S   CT   _CB1    10     1.53036   107.35383  -146.12965
   11    10 S   HC   HB11    11     1.09846   109.42587   -48.82546
   12    10 S   HC   HB12    12     1.09806   110.49254    67.79025
   13    10 S   CT   _CG1    13     1.52998   112.57845  -169.67356
   14    13 S   HC   HG11    14     1.09575   110.79140   -66.42898
   15    13 S   HC   HG12    15     1.09663   109.69317    52.80480
   16    13 S   C    _CD1    16     1.51816   111.78765   173.42156
   17    16 S   O    _OE1    17     1.22778   123.15188    15.29042
   18    16 S   N    _N2_    18     1.38519   111.91204  -164.89545
   19    18 S   H    _HN2    19     1.01778   119.02097    -0.59050
   20    18 S   CT1  _CA2    20     1.46218   123.64956   179.13227
   21    20 S   HC   _HA2    21     1.09734   108.96543    14.18002
   22    20 S   C    _C2_    22     1.53764   110.16422  -101.89737
   23    22 S   O    _O2_    23     1.23150   121.90407  -155.45810
   24    20 S   CT   _CB2    32     1.53441   111.11057   135.75499
   25    24 S   HC   HB21    33     1.09449   109.27561    60.20751
   26    24 S   HC   HB22    34     1.09515   110.44550   178.44568
   27    22 S   N    _N3_    24     1.38212   114.40467    31.95174
   28    27 S   H    _HN3    25     1.01497   119.64082    -4.07333
   29    24 S   S    _SG2    35     1.83378   111.16007   -62.07046
   30    27 S   CT   _CA3    26     1.45276   123.26929   177.03509
   31    30 S   HC   HA31    27     1.09551   107.60840   -62.14138
   32    30 S   HC   HA32    28     1.09557   107.87329    54.28072
   33    29 S   CT   _C15    36     1.86184   101.13805   154.77553
   34    33 S   OM   _O38    37     1.31725   108.69004   175.41414
   35    30 S   CO3  _C3_    29     1.52972   114.10304   176.21064
   36    35 S   O2Z  _O31    30     1.26381   116.11745     0.03426
   37    35 S   O2Z  _O32    31     1.26437   114.40617  -179.94065
   38    33 S   CM   _C14    38     1.50823   107.47776    59.38468
   39    38 S   HC   _H9_    39     1.08810   119.82371    34.58559
   40    38 S   CM   _C13    40     1.33813   120.76361  -136.66125
   41    40 S   CT   _C18    41     1.53231   125.19904    -6.46766
   42    41 S   CA   _C7_    42     1.52599    98.00023   154.06980
   43    41 S   CMA  _C17    62     1.56156   110.92432    26.46005
   44    43 S   OM   _O36    63     1.26519   112.71042   159.96401
   45    41 S   CT   _C19    71     1.55095   108.07809   -93.84855
   46    45 S   HC   _H10    72     1.09645   111.67176    68.66499
   47    45 S   HC   _H11    73     1.09770   111.98609   -51.48996
   48    45 S   HC   _H12    74     1.09665   111.56373  -171.15660
   49    42 S   CA   _C8_    43     1.39409   108.90351    10.31576
   50    33 S   CM   _C16    64     1.53352   110.69274   -63.66163
   51    49 S   CA   _C9_    44     1.39229   123.06832   176.22343
   52    40 S   OS   _O35    61     1.38744   121.83113   161.22419
   53    50 S   CO4  _C20    65     1.50677   118.61691   -42.95419
   54    53 S   O    _O37    66     1.23118   121.01201   102.72597
   55    51 S   CA   _C10    45     1.42175   121.70695    -1.31403
   56    55 S   OM   _O33    46     1.28153   122.68090  -177.95149
   57    51 S   CO4  _C11    55     1.48327   116.76978   179.47923
   58    57 S   O    _O34    56     1.22756   119.77403    63.90358
   59    53 S   CT   _C21    67     1.50547   117.47014   -75.77725
   60    59 S   HC   _H13    68     1.09259   109.59317    97.51152
   61    59 S   HC   _H14    69     1.09330   110.99265   -23.98284
   62    59 S   HC   _H15    70     1.09382   109.01135  -142.38282
   63    55 S   CA   _C5_    47     1.44099   114.59450     0.66705
   64    57 S   CT   _C12    57     1.50562   117.72170  -114.80732
   65    64 S   HC   _H6_    58     1.09370   108.86612   128.17319
   66    64 S   HC   _H7_    59     1.09358   111.43820     9.39545
   67    64 S   HC   _H8_    60     1.09282   109.52111  -111.69952
   68    42 S   CA   _C6_    48     1.38486   133.12292  -177.46595
   69    63 S   CT   _C4_    51     1.52103   119.62065  -178.12811
   70    69 S   HC   _H3_    52     1.09451   109.71088    85.41690
   71    69 S   HC   _H4_    53     1.09485   111.66679  -153.84991
   72    69 S   HC   _H5_    54     1.09482   111.69640   -35.88449
   73    68 S   OH   _O39    49     1.36819   121.41605     2.76492
   74    73 S   HO   _H16    50     0.97570   107.88065    14.71687
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   8   5   4   3
  12   6   2   1   1  10   4  13  15  17  12   3   7   2   1   1
  10   6  12   3   5   4  11   4   6   4   3   2   1   1   7   3
   2   1   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    50    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    43    44    50    53    54    59  
   38    39    40    43    50    53  
   36    37  
   37  
    0  
   39    40    41    42    49    52    43    50    53    45  
   40    41    52    50  
   41    42    49    51    68    52    43    44    50    45    46    47    48  
   42    49    51    63    68    73    52    43    44    50    53    45    46    47    48  
   49    51    55    63    68    73    74    69    57    52    43    44    50    45    46    47    48  
   44    50    53    54    59    45    46    47    48    49    52    68  
   50    53    45  
   46    47    48    49    50    52    68  
   47    48  
   48  
    0  
   51    55    56    63    68    73    57    58    64    52  
   53    54    59    60    61    62  
   55    56    63    68    69    57    58    64    65    66    67    52  
   55    57    68  
   54    59    60    61    62  
   59    60    61    62  
   56    63    68    73    69    70    71    72    57    58    64  
   63    68    69    57  
   58    64    65    66    67    63  
   64    65    66    67  
   60    61    62  
   61    62  
   62  
    0  
   68    73    74    69    70    71    72  
   65    66    67  
   66    67  
   67  
    0  
   73    74    69    70    71    72  
   70    71    72    73  
   71    72  
   72  
    0  
   74  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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  -0.115000   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   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   570.000  1.307
   33    38   317.000  1.510
   33    50   317.000  1.510
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   317.000  1.510
   40    52   440.000  1.360
   41    42   317.000  1.510
   41    43   270.000  1.512
   41    45   268.000  1.529
   42    49   469.000  1.400
   42    68   469.000  1.400
   49    51   469.000  1.400
   49    52   450.000  1.364
   51    55   469.000  1.400
   51    57   310.000  1.470
   55    56   450.000  1.364
   55    63   469.000  1.400
   63    68   469.000  1.400
   63    69   317.000  1.510
   68    73   450.000  1.364
   73    74   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   57    58   570.000  1.229
   57    64   317.000  1.522
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   745.000  1.250
   43    50   465.000  1.376
   50    53   320.000  1.462
   53    54   570.000  1.229
   53    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    50    43    70.00000  124.00000
   33    50    53    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    40    41    70.00000  124.00000
   38    40    52    80.00000  120.01400
   40    38    39    35.00000  120.00000
   40    41    42    70.00000  112.99600
   40    41    43    70.00000  110.12100
   40    41    45    70.00000  112.02700
   40    52    49    90.00000  114.30300
   41    42    49    70.00000  120.00000
   41    42    68    70.00000  120.00000
   41    43    44    85.00000  112.85300
   41    43    50    65.00000  122.18000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   42    49    51    63.00000  120.00000
   42    49    52    70.00000  120.00000
   42    68    63    63.00000  120.00000
   42    68    73    70.00000  120.00000
   49    51    55    63.00000  120.00000
   49    51    57    60.00000  119.52600
   51    55    56    70.00000  120.00000
   51    55    63    63.00000  120.00000
   51    57    58    75.00000  123.78400
   51    57    64    65.00000  115.47100
   55    63    68    63.00000  120.00000
   55    63    69    70.00000  120.00000
   63    55    56    70.00000  120.00000
   63    68    73    70.00000  120.00000
   63    69    70    35.00000  109.50000
   63    69    71    35.00000  109.50000
   63    69    72    35.00000  109.50000
   68    42    49    63.00000  120.00000
   68    73    74    35.00000  113.00000
   69    63    68    70.00000  120.00000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   57    51    55    60.00000  119.52600
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   64    57    58    80.00000  120.40000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    40    41    85.00000  112.85300
   52    49    51    70.00000  120.00000
   43    41    42    70.00000  112.99600
   43    50    53    60.00000  125.92000
   50    33    34    85.00000  110.90400
   50    33    38    70.00000  110.12100
   50    43    44    65.00000  137.10300
   50    53    54    80.00000  123.72100
   50    53    59    65.00000  118.62400
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   59    53    54    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   45    41    42    70.00000  112.17500
   45    41    43    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  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    50    43   0.42700  1.0 1.0
   29    33    50    43  -0.70350 -1.0 2.0
   29    33    50    43  -0.43150  1.0 3.0
   29    33    50    53   0.09700  1.0 1.0
   29    33    50    53   0.15600 -1.0 2.0
   29    33    50    53  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    52   7.00000 -1.0 2.0
   33    50    53    54  -0.64400  1.0 1.0
   33    50    53    54   0.26850 -1.0 2.0
   33    50    53    59   0.25700  1.0 1.0
   33    50    53    59   0.66200 -1.0 2.0
   33    50    53    59   0.04450  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.39000  1.0 1.0
   34    33    38    40  -0.05800 -1.0 2.0
   34    33    38    40  -0.55150  1.0 3.0
   34    33    50    43   0.39000  1.0 1.0
   34    33    50    43  -0.05800 -1.0 2.0
   34    33    50    43  -0.55150  1.0 3.0
   34    33    50    53   0.09700  1.0 1.0
   34    33    50    53   0.15600 -1.0 2.0
   34    33    50    53  -0.50800  1.0 3.0
   38    33    50    43  -0.28300  1.0 1.0
   38    33    50    43   0.26700 -1.0 2.0
   38    33    50    43  -0.63300  1.0 3.0
   38    33    50    53   0.09700  1.0 1.0
   38    33    50    53   0.15600 -1.0 2.0
   38    33    50    53  -0.50800  1.0 3.0
   38    40    41    42   1.44450  1.0 1.0
   38    40    41    42   0.06600 -1.0 2.0
   38    40    41    42   0.29250  1.0 3.0
   38    40   -41    43  -0.28300  1.0 1.0
   38    40   -41    43   0.26700 -1.0 2.0
   38    40   -41    43  -0.63300  1.0 3.0
   38    40    41    45   0.09850  1.0 1.0
   38    40    41    45   0.15250 -1.0 2.0
   38    40    41    45  -0.50650  1.0 3.0
   38    40    52    49   2.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    52   7.00000 -1.0 2.0
   40    41   -42    49   0.18050 -1.0 2.0
   40    41    42    68   0.18050 -1.0 2.0
   40    41    43    44   0.09700  1.0 1.0
   40    41    43    44   0.15600 -1.0 2.0
   40    41    43    44  -0.50800  1.0 3.0
   40    41    43    50  -0.28300  1.0 1.0
   40    41    43    50   0.26700 -1.0 2.0
   40    41    43    50  -0.63300  1.0 3.0
   40    41    45    46   0.15000  1.0 3.0
   40    41    45    47   0.15000  1.0 3.0
   40    41    45    48   0.15000  1.0 3.0
   41    40   -52    49   2.00000 -1.0 2.0
   41    42    49    51   3.62500 -1.0 2.0
   41    42   -49    52   3.62500 -1.0 2.0
   41    42    68    63   3.62500 -1.0 2.0
   41    42    68    73   3.62500 -1.0 2.0
   41    43   -50    33   7.00000 -1.0 2.0
   41    43    50    53   7.00000 -1.0 2.0
   42    41    43    44   0.09700  1.0 1.0
   42    41    43    44   0.15600 -1.0 2.0
   42    41    43    44  -0.50800  1.0 3.0
   42    41    43    50   1.44450  1.0 1.0
   42    41    43    50   0.06600 -1.0 2.0
   42    41    43    50   0.29250  1.0 3.0
   42    41    45    46   0.43200  1.0 3.0
   42    41    45    47   0.43200  1.0 3.0
   42    41    45    48   0.43200  1.0 3.0
   42    49    51    55   3.62500 -1.0 2.0
   42    49    51    57   3.62500 -1.0 2.0
   42    49   -52    40   0.00000  1.0 1.0
   42    68    73    74   0.84100 -1.0 2.0
   49    42    68    63   3.62500 -1.0 2.0
   49    42    68    73   3.62500 -1.0 2.0
   49    51    55    56   3.62500 -1.0 2.0
   49    51   -55    63   3.62500 -1.0 2.0
   49    51    57    58   1.05000 -1.0 2.0
   49    51    57    64   2.26350  1.0 1.0
   49    51    57    64   0.76750 -1.0 2.0
   49    51    57    64   0.22500  1.0 3.0
   51    49    52    40   0.00000  1.0 1.0
   51    55    63    68   3.62500 -1.0 2.0
   51    55    63    69   3.62500 -1.0 2.0
   51    57    64    65   0.00000  1.0 1.0
   51    57    64    66   0.00000  1.0 1.0
   51    57    64    67   0.00000  1.0 1.0
   55    51    57    58   1.05000 -1.0 2.0
   55    51    57    64   2.26350  1.0 1.0
   55    51    57    64   0.76750 -1.0 2.0
   55    51    57    64   0.22500  1.0 3.0
   55    63   -68    42   3.62500 -1.0 2.0
   55    63    68    73   3.62500 -1.0 2.0
   55    63    69    70   0.00000  1.0 1.0
   55    63    69    71   0.00000  1.0 1.0
   55    63    69    72   0.00000  1.0 1.0
   56    55    63    68   3.62500 -1.0 2.0
   56    55    63    69   3.62500 -1.0 2.0
   63    68    73    74   0.84100 -1.0 2.0
   68    42   -49    51   3.62500 -1.0 2.0
   68    42    49    52   3.62500 -1.0 2.0
   68    63    69    70   0.00000  1.0 1.0
   68    63    69    71   0.00000  1.0 1.0
   68    63    69    72   0.00000  1.0 1.0
   69    63    68    42   3.62500 -1.0 2.0
   69    63    68    73   3.62500 -1.0 2.0
   57    51    55    56   3.62500 -1.0 2.0
   57    51    55    63   3.62500 -1.0 2.0
   58    57    64    65   0.00000  1.0 1.0
   58    57    64    66   0.00000  1.0 1.0
   58    57    64    67   0.00000  1.0 1.0
   52    40   -41    42   0.09700  1.0 1.0
   52    40   -41    42   0.15600 -1.0 2.0
   52    40   -41    42  -0.50800  1.0 3.0
   52    40    41    43   0.09700  1.0 1.0
   52    40    41    43   0.15600 -1.0 2.0
   52    40    41    43  -0.50800  1.0 3.0
   52    40    41    45   0.09700  1.0 1.0
   52    40    41    45   0.15600 -1.0 2.0
   52    40    41    45  -0.50800  1.0 3.0
   52    49    51    55   3.62500 -1.0 2.0
   52    49    51    57   3.62500 -1.0 2.0
   43    41    42    49   0.18050 -1.0 2.0
   43    41    42    68   0.18050 -1.0 2.0
   43    41    45    46   0.15000  1.0 3.0
   43    41    45    47   0.15000  1.0 3.0
   43    41    45    48   0.15000  1.0 3.0
   43    50    53    54   1.00000 -1.0 2.0
   43    50    53    59  -0.33500  1.0 1.0
   43    50    53    59   1.06600 -1.0 2.0
   43    50    53    59  -0.14000  1.0 3.0
   44    43    50    33   7.00000 -1.0 2.0
   44    43    50    53   7.00000 -1.0 2.0
   50    33    38    39   0.00000  1.0 1.0
   50    33   -38    40  -0.28300  1.0 1.0
   50    33   -38    40   0.26700 -1.0 2.0
   50    33   -38    40  -0.63300  1.0 3.0
   50    53    59    60   0.00000  1.0 1.0
   50    53    59    61   0.00000  1.0 1.0
   50    53    59    62   0.00000  1.0 1.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   54    53    59    62   0.00000  1.0 1.0
   45    41    42    49   0.04150 -1.0 2.0
   45    41    42    68   0.04150 -1.0 2.0
   45    41    43    44   0.09700  1.0 1.0
   45    41    43    44   0.15600 -1.0 2.0
   45    41    43    44  -0.50800  1.0 3.0
   45    41    43    50   0.09850  1.0 1.0
   45    41    43    50   0.15250 -1.0 2.0
   45    41    43    50  -0.50650  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    52    40    38   1.10000 -1.0 2.0
   49    68    42    41   4.00000 -1.0 2.0
   51    52    49    42   4.00000 -1.0 2.0
   55    57    51    49   4.00000 -1.0 2.0
   63    56    55    51   4.00000 -1.0 2.0
   68    69    63    55   4.00000 -1.0 2.0
   63    73    68    42   4.00000 -1.0 2.0
   51    64    57    58  10.50000 -1.0 2.0
   41    44    43    50   1.10000 -1.0 2.0
   33    53    50    43   1.10000 -1.0 2.0
   50    59    53    54  10.50000 -1.0 2.0
END
