* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    155    226     456
    1     0 S   NP   _N1_     1    29.05000    97.08507   -24.21593
    2     1 S   H    _HN1     2     1.02791   109.97240   -92.65469
    3     1 S   H    _H1_     3     1.02948    66.40043     9.29191
    4     1 S   H    _H2_     4     1.02827    42.31315   172.41235
    5     1 S   CT   _CA1     5     1.50137   135.99865   104.77135
    6     5 S   HC   _HA1     6     1.09572   105.17957   101.09414
    7     5 S   CO3  _C1_     7     1.53790   112.33075   -19.15857
    8     7 S   O2Z  _O11     8     1.26386   114.98904   -44.57613
    9     7 S   O2Z  _O12     9     1.26213   114.93932   134.28742
   10     5 S   CT   _CB1    10     1.53046   107.39102  -140.91945
   11    10 S   HC   HB11    11     1.09841   109.44162   -48.88178
   12    10 S   HC   HB12    12     1.09810   110.44984    67.73904
   13    10 S   CT   _CG1    13     1.53003   112.59035  -169.76888
   14    13 S   HC   HG11    14     1.09557   110.70753   -65.82512
   15    13 S   HC   HG12    15     1.09662   109.73138    53.41500
   16    13 S   C    _CD1    16     1.51812   111.92762   174.04352
   17    16 S   O    _OE1    17     1.22763   123.16792    12.98397
   18    16 S   N    _N2_    18     1.38590   111.87354  -167.40601
   19    18 S   H    _HN2    19     1.01627   119.05424     1.46420
   20    18 S   CT1  _CA2    20     1.46349   123.45762   178.21414
   21    20 S   HC   _HA2    21     1.09740   109.19905     6.97103
   22    20 S   C    _C2_    22     1.53622   109.39088  -108.61361
   23    22 S   O    _O2_    23     1.23086   122.15334  -152.91022
   24    20 S   CT   _CB2    32     1.53211   111.14341   128.72397
   25    24 S   HC   HB21    33     1.09437   109.61313    56.12651
   26    24 S   HC   HB22    34     1.09487   111.18349   175.10387
   27    22 S   N    _N3_    24     1.38304   113.97339    34.79964
   28    27 S   H    _HN3    25     1.01545   119.57422    -3.85646
   29    24 S   S    _SG2    35     1.82205   111.20226   -64.69990
   30    27 S   CT   _CA3    26     1.45269   123.26125   176.97153
   31    30 S   HC   HA31    27     1.09549   107.58046   -63.11139
   32    30 S   HC   HA32    28     1.09557   107.91288    53.32378
   33    29 S   OS   _O35    36     1.66896    99.36553   168.95732
   34    30 S   CO3  _C3_    29     1.52965   114.07013   175.29655
   35    34 S   O2Z  _O31    30     1.26383   116.09572     0.49218
   36    34 S   O2Z  _O32    31     1.26430   114.40927  -179.47810
   37    33 S   CT   _C18    37     1.44508   115.88038   -89.73688
   38    37 S   HC   _H5_    38     1.09387   108.12834    45.32133
   39    37 S   CT   _C19    39     1.53702   106.09292   162.18019
   40    39 S   HC   _H30    40     1.09516   110.33876   168.63566
   41    39 S   HC   _H31    41     1.09762   109.62498    50.09952
   42    37 S   CT   _C15    45     1.56524   110.31083   -75.22601
   43    42 S   HC   _H4_    46     1.09668   107.84136    54.34694
   44    39 S   CO3  _C20    42     1.53399   116.96725   -70.44765
   45    44 S   O2Z  _O34    43     1.26020   117.09744    -5.39194
   46    44 S   O2Z  _O33    44     1.26651   113.90259   174.52485
   47    42 S   CT   _C16    47     1.55518   110.66336   -60.65111
   48    47 S   HC   _H25    48     1.09635   110.22691   -72.27111
   49    47 S   HC   _H26    49     1.09623   109.63264    45.05974
   50    42 S   CT   _C14    54     1.55966   114.74778   173.49211
   51    50 S   HC   _H23    55     1.09714   108.14366    66.58297
   52    50 S   HC   _H24    56     1.09695   106.06897   179.73905
   53    47 S   CT   _C17    50     1.52430   114.04892   165.33955
   54    53 S   HC   _H27    51     1.09436   111.13797   -52.57648
   55    53 S   HC   _H28    52     1.09340   111.84628    69.09928
   56    53 S   HC   _H29    53     1.09504   109.85697  -171.97346
   57    50 S   CT   _C12    57     1.55715   119.72680   -61.10092
   58    57 S   OM   _O36    58     1.32101   110.38205    79.34039
   59    57 S   CT   _C13    59     1.54496   111.49933   -40.76901
   60    59 S   HC   _H20    60     1.09636   113.04631    65.03705
   61    59 S   HC   _H21    61     1.09859   111.91332  -174.85304
   62    59 S   HC   _H22    62     1.09672   110.60776   -55.59301
   63    57 S   CT   _C11    63     1.57097   111.81692  -160.80320
   64    63 S   HC   _H18    64     1.10185   108.02626  -179.07001
   65    63 S   HC   _H19    65     1.10055   108.31160    67.97416
   66    63 S   CT   _C8_    66     1.55939   118.51387   -55.86824
   67    66 S   HC   _H3_    67     1.09717   109.14820   -40.09876
   68    66 S   CM   _C7_    68     1.51360   111.69891    81.72580
   69    68 S   HC   _H12    69     1.08772   116.78385    54.36537
   70    66 S   CT   _C9_    79     1.54771   109.06533  -157.05522
   71    70 S   HC   _H13    80     1.09749   110.31986   -62.56019
   72    70 S   HC   _H14    81     1.09734   109.10617    54.31784
   73    68 S   CM   _C6_    70     1.34208   123.97145  -126.01361
   74    73 S   HC   _H11    71     1.08750   119.31044     0.58081
   75    70 S   CT   _C10    82     1.52462   113.71848   174.48232
   76    75 S   HC   _H15    83     1.09460   110.99275   -55.13763
   77    75 S   HC   _H16    84     1.09486   109.96051  -174.54749
   78    75 S   HC   _H17    85     1.09405   111.71979    66.13783
   79    73 S   CT   _C5_    72     1.49912   123.81894   179.38483
   80    79 S   HC   _H9_    73     1.09602   108.70230  -121.18679
   81    79 S   HC   _H10    74     1.09623   111.08910    -3.82776
   82    79 S   CT   _C4_    75     1.52050   111.33010   118.14377
   83    82 S   HC   _H6_    76     1.09534   111.15841   -60.97817
   84    82 S   HC   _H7_    77     1.09470   110.19981   179.29891
   85    82 S   HC   _H8_    78     1.09533   111.25811    59.59888
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
  10   2   1   1  17   8   9   5   4  16   8   2   1   1  10   6
   5  13   5   4   3   2   1   1  12   8   7   3   2   1  11   5
   4  13   7  11   4   7   5   4   8   4   3   2   1   1   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    44    42    43    47    50  
   35    36  
   36  
    0  
   38    39    40    41    44    45    46    42    43    47    48    49    53    50    51    52    57  
   39    40    41    44    42    43    47    50  
   40    41    44    45    46    42    43    47    50  
   41    44    45    46    42  
   44    45    46    42  
   43    47    48    49    53    54    55    56    50    51    52    57    58    59    63    44  
   47    48    49    53    50    51    52    57  
   45    46  
   46  
    0  
   48    49    53    54    55    56    50    51    52    57  
   49    53    54    55    56    50  
   53    54    55    56    50  
   51    52    57    58    59    60    61    62    63    64    65    66    53  
   52    57    58    59    63  
   57    58    59    63  
   54    55    56  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    65    66    67    68    70  
   59    60    61    62    63    64    65    66  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66    67    68    69    73    70    71    72    75  
   65    66    67    68    70  
   66    67    68    70  
   67    68    69    73    74    79    70    71    72    75    76    77    78  
   68    69    73    70    71    72    75  
   69    73    74    79    80    81    82    70    71    72    75  
   73    74    79    70  
   71    72    75    76    77    78    73  
   72    75    76    77    78  
   75    76    77    78  
   74    79    80    81    82    83    84    85  
   79    80    81    82  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85  
   84    85  
   85  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   58   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   268.000  1.529
   37    42   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   570.000  1.307
   57    59   268.000  1.529
   57    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   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    68   317.000  1.510
   66    70   268.000  1.529
   68    69   340.000  1.080
   68    73   549.000  1.340
   73    74   340.000  1.080
   73    79   317.000  1.510
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    50.00000  109.50000
   33    37    42    50.00000  109.50000
   37    39    40    37.50000  110.70000
   37    39    41    37.50000  110.70000
   37    39    44    70.00000  109.69300
   37    42    43    37.50000  110.70000
   37    42    47    58.35000  112.70000
   37    42    50    58.35000  112.70000
   39    37    38    37.50000  110.70000
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
   42    37    38    37.50000  110.70000
   42    37    39    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    53    58.35000  112.70000
   42    50    51    37.50000  110.70000
   42    50    52    37.50000  110.70000
   42    50    57    58.35000  112.70000
   47    42    43    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    55    37.50000  110.70000
   47    53    56    37.50000  110.70000
   49    47    48    33.00000  107.80000
   53    47    48    37.50000  110.70000
   53    47    49    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   50    42    43    37.50000  110.70000
   50    42    47    58.35000  112.70000
   50    57    58    50.00000  109.50000
   50    57    59    58.35000  112.70000
   50    57    63    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   59    57    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    57    58    50.00000  109.50000
   63    57    59    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    70.00000  112.02700
   63    66    70    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    68    69    35.00000  117.00000
   66    68    73    70.00000  124.00000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    75    58.35000  112.70000
   68    66    67    35.00000  109.50000
   68    73    74    35.00000  120.00000
   68    73    79    70.00000  124.00000
   73    68    69    35.00000  120.00000
   73    79    80    35.00000  109.50000
   73    79    81    35.00000  109.50000
   73    79    82    70.00000  112.02700
   79    73    74    35.00000  117.00000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   70    66    67    37.50000  110.70000
   70    66    68    70.00000  112.02700
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    78    37.50000  110.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    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   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    42   0.37500  1.0 3.0
   33    37    39    40   0.23400  1.0 3.0
   33    37    39    41   0.23400  1.0 3.0
   33    37    39    44  -3.35100  1.0 1.0
   33    37    39    44  -0.37050 -1.0 2.0
   33    37    39    44   0.22400  1.0 3.0
   33    37    42    43   0.23400  1.0 3.0
   33    37    42    47   0.62750  1.0 1.0
   33    37    42    47  -0.30950 -1.0 2.0
   33    37    42    47   0.27300  1.0 3.0
   33    37    42    50   0.62750  1.0 1.0
   33    37    42    50  -0.30950 -1.0 2.0
   33    37    42    50   0.27300  1.0 3.0
   37    39    44    45   0.41150 -1.0 2.0
   37    39    44    46   0.41150 -1.0 2.0
   37    42    47    48   0.15000  1.0 3.0
   37    42    47    49   0.15000  1.0 3.0
   37    42    47    53   0.56750  1.0 1.0
   37    42    47    53  -0.07550 -1.0 2.0
   37    42    47    53   0.20000  1.0 3.0
   37    42    50    51   0.15000  1.0 3.0
   37    42    50    52   0.15000  1.0 3.0
   37    42    50    57   0.56750  1.0 1.0
   37    42    50    57  -0.07550 -1.0 2.0
   37    42    50    57   0.20000  1.0 3.0
   38    37    39    40   0.15000  1.0 3.0
   38    37    39    41   0.15000  1.0 3.0
   38    37    39    44  -0.11250  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    47   0.15000  1.0 3.0
   38    37    42    50   0.15000  1.0 3.0
   39    37    42    43   0.15000  1.0 3.0
   39    37    42    47   0.56750  1.0 1.0
   39    37    42    47  -0.07550 -1.0 2.0
   39    37    42    47   0.20000  1.0 3.0
   39    37    42    50   0.56750  1.0 1.0
   39    37    42    50  -0.07550 -1.0 2.0
   39    37    42    50   0.20000  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
   42    37    39    40   0.15000  1.0 3.0
   42    37    39    41   0.15000  1.0 3.0
   42    37    39    44  -1.63150  1.0 1.0
   42    37    39    44  -0.43550 -1.0 2.0
   42    37    39    44   0.24500  1.0 3.0
   42    47    53    54   0.15000  1.0 3.0
   42    47    53    55   0.15000  1.0 3.0
   42    47    53    56   0.15000  1.0 3.0
   42    50    57    58   0.62750  1.0 1.0
   42    50    57    58  -0.30950 -1.0 2.0
   42    50    57    58   0.27300  1.0 3.0
   42    50    57    59   0.56750  1.0 1.0
   42    50    57    59  -0.07550 -1.0 2.0
   42    50    57    59   0.20000  1.0 3.0
   42    50    57    63   0.56750  1.0 1.0
   42    50    57    63  -0.07550 -1.0 2.0
   42    50    57    63   0.20000  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    53   0.15000  1.0 3.0
   43    42    50    51   0.15000  1.0 3.0
   43    42    50    52   0.15000  1.0 3.0
   43    42    50    57   0.15000  1.0 3.0
   47    42    50    51   0.15000  1.0 3.0
   47    42    50    52   0.15000  1.0 3.0
   47    42    50    57   0.56750  1.0 1.0
   47    42    50    57  -0.07550 -1.0 2.0
   47    42    50    57   0.20000  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    55   0.15000  1.0 3.0
   48    47    53    56   0.15000  1.0 3.0
   49    47    53    54   0.15000  1.0 3.0
   49    47    53    55   0.15000  1.0 3.0
   49    47    53    56   0.15000  1.0 3.0
   50    42    47    48   0.15000  1.0 3.0
   50    42    47    49   0.15000  1.0 3.0
   50    42    47    53   0.56750  1.0 1.0
   50    42    47    53  -0.07550 -1.0 2.0
   50    42    47    53   0.20000  1.0 3.0
   50    57    59    60   0.15000  1.0 3.0
   50    57    59    61   0.15000  1.0 3.0
   50    57    59    62   0.15000  1.0 3.0
   50    57    63    64   0.15000  1.0 3.0
   50    57    63    65   0.15000  1.0 3.0
   50    57    63    66   0.56750  1.0 1.0
   50    57    63    66  -0.07550 -1.0 2.0
   50    57    63    66   0.20000  1.0 3.0
   51    50    57    58   0.23400  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    63   0.15000  1.0 3.0
   52    50    57    58   0.23400  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    63   0.15000  1.0 3.0
   57    63    66    67   0.15000  1.0 3.0
   57    63    66    68   0.34400  1.0 1.0
   57    63    66    68   0.09450 -1.0 2.0
   57    63    66    68   0.11100  1.0 3.0
   57    63    66    70   0.56750  1.0 1.0
   57    63    66    70  -0.07550 -1.0 2.0
   57    63    66    70   0.20000  1.0 3.0
   58    57    59    60   0.23400  1.0 3.0
   58    57    59    61   0.23400  1.0 3.0
   58    57    59    62   0.23400  1.0 3.0
   58    57    63    64   0.23400  1.0 3.0
   58    57    63    65   0.23400  1.0 3.0
   58    57    63    66   0.62750  1.0 1.0
   58    57    63    66  -0.30950 -1.0 2.0
   58    57    63    66   0.27300  1.0 3.0
   59    57    63    64   0.15000  1.0 3.0
   59    57    63    65   0.15000  1.0 3.0
   59    57    63    66   0.56750  1.0 1.0
   59    57    63    66  -0.07550 -1.0 2.0
   59    57    63    66   0.20000  1.0 3.0
   63    57    59    60   0.15000  1.0 3.0
   63    57    59    61   0.15000  1.0 3.0
   63    57    59    62   0.15000  1.0 3.0
   63    66    68    69   0.00000  1.0 1.0
   63    66    68    73   0.09850  1.0 1.0
   63    66    68    73   0.15250 -1.0 2.0
   63    66    68    73  -0.50650  1.0 3.0
   63    66    70    71   0.15000  1.0 3.0
   63    66    70    72   0.15000  1.0 3.0
   63    66    70    75   0.56750  1.0 1.0
   63    66    70    75  -0.07550 -1.0 2.0
   63    66    70    75   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    70   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    70   0.15000  1.0 3.0
   66    68    73    74   7.00000 -1.0 2.0
   66    68    73    79   7.00000 -1.0 2.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.15000  1.0 3.0
   67    66    68    69   0.33100  1.0 3.0
   67    66    68    73   0.00000  1.0 1.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    75   0.34400  1.0 1.0
   68    66    70    75   0.09450 -1.0 2.0
   68    66    70    75   0.11100  1.0 3.0
   68    73    79    80   0.00000  1.0 1.0
   68    73    79    81   0.00000  1.0 1.0
   68    73    79    82   0.09850  1.0 1.0
   68    73    79    82   0.15250 -1.0 2.0
   68    73    79    82  -0.50650  1.0 3.0
   69    68    73    74   7.00000 -1.0 2.0
   69    68    73    79   7.00000 -1.0 2.0
   73    79    82    83   0.15000  1.0 3.0
   73    79    82    84   0.15000  1.0 3.0
   73    79    82    85   0.15000  1.0 3.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.33100  1.0 3.0
   74    73    79    82   0.00000  1.0 1.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   70    66    68    69   0.00000  1.0 1.0
   70    66    68    73   0.09850  1.0 1.0
   70    66    68    73   0.15250 -1.0 2.0
   70    66    68    73  -0.50650  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    78   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    78   0.15000  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
   35    30    34    36  10.50000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
   66    69    68    73  15.00000 -1.0 2.0
   79    74    73    68  15.00000 -1.0 2.0
END
