* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    157    242     460
    1     0 S   NP   _N1_     1    28.86375    96.31802   -21.26308
    2     1 S   H    _HN1     2     1.02828    42.16754   151.99466
    3     1 S   H    _H1_     3     1.02786    92.80614   -94.21415
    4     1 S   H    _H2_     4     1.02949    75.33094    13.98297
    5     1 S   CT   _CA1     5     1.50117   149.70916   119.51266
    6     5 S   HC   _HA1     6     1.09579   105.20062    82.06934
    7     5 S   CO3  _C1_     7     1.53791   112.21547   -38.07783
    8     7 S   O2Z  _O11     8     1.26355   115.05247   -48.30140
    9     7 S   O2Z  _O12     9     1.26230   114.92829   130.61104
   10     5 S   CT   _CB1    10     1.53073   107.37399  -160.12960
   11    10 S   HC   HB11    11     1.09834   109.39086   -50.37365
   12    10 S   HC   HB12    12     1.09809   110.47516    66.21650
   13    10 S   CT   _CG1    13     1.52972   112.57518  -171.33868
   14    13 S   HC   HG11    14     1.09556   110.52291   -65.31528
   15    13 S   HC   HG12    15     1.09661   109.86253    53.93392
   16    13 S   C    _CD1    16     1.51799   112.14735   174.61704
   17    16 S   O    _OE1    17     1.22743   123.23088     8.60407
   18    16 S   N    _N2_    18     1.38564   111.72704  -171.87409
   19    18 S   H    _HN2    19     1.01739   118.95919     2.75506
   20    18 S   CT1  _CA2    20     1.46136   123.48887   178.65987
   21    20 S   HC   _HA2    21     1.09734   109.34553    -1.43258
   22    20 S   C    _C2_    22     1.53488   108.50624  -116.88972
   23    22 S   O    _O2_    23     1.23059   122.30097  -148.15495
   24    20 S   CT   _CB2    32     1.53357   111.67386   120.57972
   25    24 S   HC   HB21    33     1.09538   110.01815    56.56440
   26    24 S   HC   HB22    34     1.09431   110.03617   175.56385
   27    22 S   N    _N3_    24     1.38357   113.63034    39.49324
   28    27 S   H    _HN3    25     1.01605   119.52393    -4.24330
   29    24 S   S    _SG2    35     1.82790   111.52656   -64.39670
   30    27 S   CT   _CA3    26     1.45272   123.14414   176.98721
   31    30 S   HC   HA31    27     1.09554   107.62824   -61.10414
   32    30 S   HC   HA32    28     1.09558   107.82164    55.27999
   33    29 S   CT   _C6_    36     1.84038    99.83180   172.63398
   34    33 S   HC   _H4_    37     1.09575   106.79148   -39.97557
   35    30 S   CO3  _C3_    29     1.52944   114.16688   177.16275
   36    35 S   O2Z  _O31    30     1.26368   116.10116    -0.92894
   37    35 S   O2Z  _O32    31     1.26443   114.40055   179.08102
   38    33 S   CT   _C7_    38     1.52879   109.88780    76.59005
   39    38 S   HC   _H11    39     1.09504   112.37447    56.36690
   40    38 S   HC   _H12    40     1.09495   111.41797   -64.74229
   41    38 S   HC   _H13    41     1.09567   110.38320   176.72380
   42    33 S   CT   _C5_    42     1.55040   112.09934  -158.01241
   43    42 S   HC   _H3_    43     1.09950   108.12031   177.63272
   44    42 S   CO4  _C8_    44     1.52620   111.32240    62.16031
   45    44 S   O    _O33    45     1.22347   124.94093  -119.70612
   46    42 S   CT   _C4_    81     1.53225   114.90215   -64.10539
   47    46 S   HC   _H8_    82     1.09452   112.21430    62.41358
   48    46 S   HC   _H9_    83     1.09389   111.48031   -59.40421
   49    46 S   HC   _H10    84     1.09629   110.37087  -178.39051
   50    44 S   OS   _O34    46     1.36447   109.41202    60.94762
   51    50 S   CT   _C9_    47     1.44217   118.60549  -178.03278
   52    51 S   HC   _H5_    48     1.09838   107.52659    29.57096
   53    51 S   CT   _C10    49     1.55433   110.04032   -83.97818
   54    53 S   HC   _H14    50     1.09808   107.54509    59.45806
   55    53 S   HC   _H15    51     1.09853   106.54786   173.60791
   56    51 S   CT   _C18    63     1.56607   110.70114   146.71396
   57    56 S   HC   _H7_    64     1.09724   109.26302   143.30411
   58    53 S   CT   _C11    52     1.54001   119.85029   -63.43668
   59    56 S   CM   _C19    65     1.49818   111.93248   -99.16979
   60    58 S   CO4  _C12    53     1.50886   114.45151    56.18884
   61    60 S   O    _O35    54     1.22095   126.18721    68.58062
   62    59 S   CO4  _C21    66     1.46788   111.15008   120.37840
   63    62 S   O    _O37    67     1.21811   126.91244  -175.20376
   64    59 S   CM   _C20    69     1.33712   127.89912   -62.52874
   65    64 S   HC   _H18    70     1.08515   121.01832     1.41430
   66    64 S   HC   _H19    71     1.08527   121.93955  -178.32030
   67    58 S   CT   _C23    77     1.52663   111.36478  -178.25359
   68    67 S   HC   _H22    78     1.09567   110.87215    60.78708
   69    67 S   HC   _H23    79     1.09502   111.56187   -60.52796
   70    67 S   HC   _H24    80     1.09647   111.04300   179.06414
   71    60 S   CM   _C13    55     1.45748   110.22013  -109.08059
   72    71 S   HC   _H16    56     1.07396   127.20387   166.04322
   73    83 S   OS   _O38    68     1.44387   107.87222   169.01477
   74    71 S   CM   _C14    57     1.33189   101.27697    -3.13819
   75    74 S   CM   _C15    58     1.44596   126.07559   161.26625
   76    58 S   OS   _O36    76     1.43207   109.60532   -58.60176
   77    75 S   CM   _C16    59     1.35184   118.63856   -85.64249
   78    77 S   HC   _H17    60     1.08788   118.58262  -176.48999
   79    75 S   CT   _C22    72     1.52486   117.96454   100.66235
   80    79 S   OM   _O39    73     1.32442   106.96828   -84.37095
   81    79 S   HC   _H20    74     1.10287   106.17787   148.78085
   82    79 S   HC   _H21    75     1.10287   105.79021    43.16343
   83    77 S   CT   _C17    61     1.51409   124.34201     6.08128
   84    83 S   HC   _H6_    62     1.09320   107.20702    57.19337
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  16   6   5  14   7  11   9  10   5   8   3   4
   1   1   6   3   2   1   6   3   5   9   9   2   7   3   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    83    56    57    59  
   52    53    54    55    58    60    77    83    84    56    57    59    62    73    64    76    67  
   53    54    55    58    83    56    57    59  
   54    55    58    60    61    71    74    83    56    57    59    76    67    68    69    70  
   55    58    60    56    76    67  
   58    60    56    76    67  
   57    59    62    63    73    64    65    66    58    75    77    78    83    84  
   59    62    73    64    77    83    84  
   60    61    71    72    74    75    76    67    68    69    70  
   62    63    73    64    65    66    77    83    84  
   61    71    72    74    75    76    67    68    69    70  
   71    72    74    76    67  
   63    73    64    65    66    77    83    84  
   73    64    83  
   65    66    73    83  
   66  
    0  
   68    69    70    71    74    76  
   69    70    76  
   70    76  
   76  
   72    74    75    77    79    76  
   74    75    76  
   75    77    78    83    84  
   75    77    78    83    79    80    81    82    76  
   77    78    83    84    79    80    81    82    76  
   77    79  
   78    83    84    79    80    81    82  
   83    84    79  
   80    81    82    83  
   81    82  
   82  
    0  
   84  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   4.2000   0.3000  -0.140000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   81   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   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   268.000  1.529
   33    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    60   317.000  1.522
   58    76   320.000  1.410
   58    67   268.000  1.529
   60    61   570.000  1.229
   60    71   320.000  1.462
   71    72   340.000  1.080
   71    74   549.000  1.340
   74    75   380.000  1.444
   74    76   440.000  1.360
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    83   317.000  1.510
   83    84   340.000  1.090
   83    56   268.000  1.529
   83    73   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    73   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   79    80   570.000  1.307
   79    81   340.000  1.090
   79    82   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    58.35000  112.70000
   51    56    83    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    63.00000  111.10000
   53    58    76    50.00000  109.50000
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    60    61    80.00000  120.40000
   58    60    71    65.00000  118.62400
   58    76    74    90.00000  111.18400
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   60    71    72    40.00000  117.72500
   60    71    74    65.00000  118.96000
   71    60    61    80.00000  123.72100
   71    74    75    70.00000  123.01800
   71    74    76    80.00000  120.01400
   74    71    72    35.00000  120.00000
   74    75    77    70.00000  123.01800
   74    75    79    70.00000  124.00000
   75    77    78    35.00000  120.00000
   75    77    83    70.00000  124.00000
   75    79    80    85.00000  110.90400
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   77    83    84    35.00000  109.50000
   77    83    56    70.00000  112.02700
   77    83    73    85.00000  110.90400
   83    77    78    35.00000  117.00000
   83    56    57    37.50000  110.70000
   83    56    59    70.00000  112.02700
   83    73    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    83    84    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    73    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   73    83    84    35.00000  109.50000
   73    83    56    50.00000  109.50000
   73    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   79    75    77    70.00000  124.00000
   81    79    80    45.00000  125.66300
   82    79    80    45.00000  125.66300
   82    79    81    33.00000  107.80000
   76    58    60    90.00000  108.74100
   76    74    75    80.00000  120.01400
   67    58    60    63.00000  111.10000
   67    58    76    50.00000  109.50000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58   0.62750  1.0 1.0
   50    51    53    58  -0.30950 -1.0 2.0
   50    51    53    58   0.27300  1.0 3.0
   50    51    56    83   0.62750  1.0 1.0
   50    51    56    83  -0.30950 -1.0 2.0
   50    51    56    83   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60  -0.95700  1.0 1.0
   51    53    58    60  -0.18200 -1.0 2.0
   51    53    58    60   0.29450  1.0 3.0
   51    53    58    76   0.62750  1.0 1.0
   51    53    58    76  -0.30950 -1.0 2.0
   51    53    58    76   0.27300  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    83   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    83   0.56750  1.0 1.0
   53    51    56    83  -0.07550 -1.0 2.0
   53    51    56    83   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   0.30150 -1.0 2.0
   53    58    60    71   0.65300  1.0 1.0
   53    58    60    71  -0.03850 -1.0 2.0
   53    58    60    71   0.33900  1.0 3.0
   53    58    76    74  -0.46850  1.0 1.0
   53    58    76    74   0.09300 -1.0 2.0
   53    58    76    74  -0.12850  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    60  -0.11250  1.0 3.0
   54    53    58    76   0.23400  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    60  -0.11250  1.0 3.0
   55    53    58    76   0.23400  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    60    71    72   0.04550  1.0 1.0
   58    60    71    72   0.83000 -1.0 2.0
   58    60    71    72  -0.04000  1.0 3.0
   58    60   -71    74  -0.33500  1.0 1.0
   58    60   -71    74   1.06600 -1.0 2.0
   58    60   -71    74  -0.14000  1.0 3.0
   60    58   -76    74  -0.48150  1.0 1.0
   60    58   -76    74   0.09250 -1.0 2.0
   60    58   -76    74  -0.12850  1.0 3.0
   60    58    67    68  -0.11250  1.0 3.0
   60    58    67    69  -0.11250  1.0 3.0
   60    58    67    70  -0.11250  1.0 3.0
   60    71    74    75   7.00000 -1.0 2.0
   60    71   -74    76   7.00000 -1.0 2.0
   61    60    71    72   0.00000  1.0 1.0
   61    60    71    74   1.00000 -1.0 2.0
   71    74    75    77   0.28850  1.0 1.0
   71    74    75    77   2.61350 -1.0 2.0
   71    74    75    77   0.78400  1.0 3.0
   71    74    75    79  -0.18600  1.0 3.0
   71    74   -76    58  -2.26850  1.0 1.0
   71    74   -76    58   3.39050 -1.0 2.0
   72    71    74    75   7.00000 -1.0 2.0
   72    71    74    76   7.00000 -1.0 2.0
   74    75    77    78   7.00000 -1.0 2.0
   74    75    77    83   7.00000 -1.0 2.0
   74    75    79    80   0.39000  1.0 1.0
   74    75    79    80  -0.05800 -1.0 2.0
   74    75    79    80  -0.55150  1.0 3.0
   74    75    79    81   0.00000  1.0 1.0
   74    75    79    82   0.00000  1.0 1.0
   75    74    76    58  -2.26850  1.0 1.0
   75    74    76    58   3.39050 -1.0 2.0
   75    77    83    84   0.00000  1.0 1.0
   75    77    83    56   0.09850  1.0 1.0
   75    77    83    56   0.15250 -1.0 2.0
   75    77    83    56  -0.50650  1.0 3.0
   75    77    83    73   0.39000  1.0 1.0
   75    77    83    73  -0.05800 -1.0 2.0
   75    77    83    73  -0.55150  1.0 3.0
   77    75    79    80   0.39000  1.0 1.0
   77    75    79    80  -0.05800 -1.0 2.0
   77    75    79    80  -0.55150  1.0 3.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    82   0.00000  1.0 1.0
   77    83    56    51   0.34400  1.0 1.0
   77    83    56    51   0.09450 -1.0 2.0
   77    83    56    51   0.11100  1.0 3.0
   77    83    56    57   0.15000  1.0 3.0
   77    83    56    59   0.31000  1.0 1.0
   77    83    56    59   0.14700 -1.0 2.0
   77    83    56    59   0.07550  1.0 3.0
   77    83    73    62  -0.82050  1.0 1.0
   77    83    73    62   0.00600 -1.0 2.0
   77    83    73    62   0.04400  1.0 3.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    56   0.00000  1.0 1.0
   78    77    83    73   0.00000  1.0 1.0
   83    56   -59    62   0.09700  1.0 1.0
   83    56   -59    62   0.15600 -1.0 2.0
   83    56   -59    62  -0.50800  1.0 3.0
   83    56    59    64   0.09850  1.0 1.0
   83    56    59    64   0.15250 -1.0 2.0
   83    56    59    64  -0.50650  1.0 3.0
   84    83    56    51   0.15000  1.0 3.0
   84    83    56    57   0.15000  1.0 3.0
   84    83    56    59   0.15000  1.0 3.0
   84    83    73    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.56750  1.0 1.0
   56    51    53    58  -0.07550 -1.0 2.0
   56    51    53    58   0.20000  1.0 3.0
   56    83   -73    62  -0.25900  1.0 1.0
   56    83   -73    62  -0.47000 -1.0 2.0
   56    83   -73    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    73  -0.15000  1.0 1.0
   56    59   -62    73   0.89550 -1.0 2.0
   56    59   -62    73  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -73    83   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    73    83   3.00000 -1.0 2.0
   73    83    56    51   0.62750  1.0 1.0
   73    83    56    51  -0.30950 -1.0 2.0
   73    83    56    51   0.27300  1.0 3.0
   73    83    56    57   0.23400  1.0 3.0
   73    83   -56    59   0.61850  1.0 1.0
   73    83   -56    59  -0.22750 -1.0 2.0
   73    83   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    73  -0.56150  1.0 1.0
   64    59    62    73   2.19150 -1.0 2.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    83   7.00000 -1.0 2.0
   76    58    60    61   0.30150 -1.0 2.0
   76    58   -60    71   0.65300  1.0 1.0
   76    58   -60    71  -0.03850 -1.0 2.0
   76    58   -60    71   0.33900  1.0 3.0
   76    58    67    68   0.23400  1.0 3.0
   76    58    67    69   0.23400  1.0 3.0
   76    58    67    70   0.23400  1.0 3.0
   76    74    75    77  -0.51250  1.0 1.0
   76    74    75    77   1.23350 -1.0 2.0
   76    74    75    79   1.08500 -1.0 2.0
   67    58    60    61   0.30150 -1.0 2.0
   67    58    60    71   0.65300  1.0 1.0
   67    58    60    71  -0.03850 -1.0 2.0
   67    58    60    71   0.33900  1.0 3.0
   67    58    76    74  -0.46850  1.0 1.0
   67    58    76    74   0.09300 -1.0 2.0
   67    58    76    74  -0.12850  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   42    50    44    45  10.50000 -1.0 2.0
   58    71    60    61  10.50000 -1.0 2.0
   60    72    71    74   1.10000 -1.0 2.0
   75    76    74    71   1.10000 -1.0 2.0
   74    79    75    77   1.10000 -1.0 2.0
   83    78    77    75   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    73    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
