* LIGAND DATABASE FILE (OPLS2005)
*
001      86    86    157    237     461
    1     0 S   NP   _N1_     1    29.10624    96.98971   -17.16852
    2     1 S   H    _HN1     2     1.02769    64.02737   -60.71170
    3     1 S   H    _H1_     3     1.03324    98.77288    44.07894
    4     1 S   H    _H2_     4     1.02791    48.83697   148.28378
    5     1 S   CT   _CA1     5     1.50031   148.20825  -151.82246
    6     5 S   HC   _HA1     6     1.09594   105.10095    15.75388
    7     5 S   CO3  _C1_     7     1.53773   112.49469  -104.18940
    8     7 S   O2Z  _O11     8     1.26297   115.27867   -51.95007
    9     7 S   O2Z  _O12     9     1.26301   114.79059   127.45720
   10     5 S   CT   _CB1    10     1.53077   107.71024   133.24468
   11    10 S   HC   HB11    11     1.09791   109.33470   -51.04123
   12    10 S   HC   HB12    12     1.09619   110.39549    65.67716
   13    10 S   CT   _CG1    13     1.53014   113.00689  -172.83977
   14    13 S   HC   HG11    14     1.09580   110.09561   -61.17500
   15    13 S   HC   HG12    15     1.09602   110.38559    57.93027
   16    13 S   C    _CD1    16     1.51946   111.70332   177.69463
   17    16 S   O    _OE1    17     1.22774   122.91716   -23.72433
   18    16 S   N    _N2_    18     1.38543   112.09334   157.77048
   19    18 S   H    _HN2    19     1.01584   119.03850     0.13848
   20    18 S   CT1  _CA2    20     1.46319   123.51642  -179.44786
   21    20 S   HC   _HA2    21     1.09740   109.31148   -17.75216
   22    20 S   C    _C2_    22     1.53444   107.99695  -133.28056
   23    22 S   O    _O2_    23     1.22999   122.36597  -144.81901
   24    20 S   CT   _CB2    32     1.53556   111.49226   104.59676
   25    24 S   HC   HB21    33     1.09475   109.55399    51.88869
   26    24 S   HC   HB22    34     1.09499   110.57158   170.87170
   27    22 S   N    _N3_    24     1.38547   113.26008    42.51393
   28    27 S   H    _HN3    25     1.01536   118.91599    -0.48739
   29    24 S   S    _SG2    35     1.82730   111.75508   -69.72116
   30    27 S   CT   _CA3    26     1.45449   123.40971   175.10103
   31    30 S   HC   HA31    27     1.09526   109.18048    25.32389
   32    30 S   HC   HA32    28     1.09493   107.12962   142.32770
   33    29 S   CT   _C14    36     1.82208   100.11415   172.24359
   34    33 S   HC   _H4_    37     1.09963   106.68455    49.00504
   35    30 S   CO3  _C3_    29     1.52935   113.18289   -98.11017
   36    35 S   O2Z  _O31    30     1.26397   115.44396   -43.29372
   37    35 S   O2Z  _O32    31     1.26362   114.95508   137.65263
   38    33 S   CT   _C15    38     1.53525   112.01892   -69.70944
   39    38 S   HC   _H19    39     1.09312   111.85291    81.49358
   40    38 S   HC   _H20    40     1.09450   113.32660   -44.71541
   41    38 S   CO4  _C16    41     1.50138   101.62545  -161.31224
   42    41 S   O    _O33    42     1.22080   124.88683  -164.60661
   43    41 S   CM   _C12    43     1.49142   110.07241    16.98824
   44    33 S   CT   _C13    44     1.55388   116.10423   168.48366
   45    44 S   HC   _H3_    45     1.09773   108.44577   -81.94838
   46    43 S   CM   _C11    65     1.33950   121.54640  -171.01655
   47    46 S   HC   _H18    66     1.08854   119.11311    -1.50623
   48    44 S   CT   _C17    46     1.54722   116.91033    43.56586
   49    48 S   HC   _H21    47     1.09862   109.63441   147.22178
   50    48 S   HC   _H22    48     1.09391   110.70437    31.36583
   51    46 S   CM   _C10    67     1.44621   124.69012   178.81040
   52    51 S   HC   _H17    68     1.08639   117.84123     0.43566
   53    48 S   CM   _C18    49     1.50524   112.69427   -95.54732
   54    53 S   HC   _H23    50     1.08956   115.02280   -55.84529
   55    51 S   CM   _C9_    69     1.34156   123.00278  -179.90721
   56    55 S   HC   _H16    70     1.08799   120.00216     0.45370
   57    53 S   CM   _C19    51     1.34198   128.31968   126.21184
   58    57 S   HC   _H24    52     1.08930   116.97050   179.17647
   59    55 S   CT   _C8_    71     1.50199   123.61311   179.91844
   60    59 S   HC   _H14    72     1.09688   110.78258    -4.84472
   61    59 S   HC   _H15    73     1.09659   108.41294  -121.74980
   62    57 S   CT   _C20    53     1.50026   127.97089    -1.94189
   63    62 S   HC   _H25    54     1.09706   107.87865  -121.42574
   64    62 S   HC   _H26    55     1.09379   111.97318    -4.72062
   65    59 S   CT   _C7_    74     1.52997   111.24028   117.37856
   66    65 S   HC   _H12    75     1.09746   109.71866   -59.19103
   67    65 S   HC   _H13    76     1.09745   109.81644    58.12327
   68    62 S   CT   _C21    56     1.53133   111.74201   118.23603
   69    68 S   HC   _H27    57     1.09733   110.09500    56.19551
   70    68 S   HC   _H28    58     1.09725   109.90123   -61.22566
   71    65 S   CT   _C6_    77     1.53000   111.27203   179.48111
   72    71 S   HC   _H10    78     1.09684   109.56691   -58.62230
   73    71 S   HC   _H11    79     1.09685   109.57512    58.65471
   74    68 S   CT   _C22    59     1.52403   110.50149   177.43646
   75    74 S   HC   _H29    60     1.09720   109.14313    58.94448
   76    74 S   HC   _H30    61     1.09716   108.95076   -58.16393
   77    71 S   CT   _C5_    80     1.52848   111.33470  -180.00000
   78    77 S   HC   _H8_    81     1.09622   109.86729    58.87267
   79    77 S   HC   _H9_    82     1.09622   109.86556   -58.85679
   80    74 S   CO3  _C23    62     1.52820   116.92026  -179.42631
   81    80 S   O2Z  _O35    63     1.26680   113.59110   178.49963
   82    80 S   O2Z  _O34    64     1.26011   116.76844    -1.35552
   83    77 S   CT   _C4_    83     1.52036   111.49335  -180.00000
   84    83 S   HC   _H5_    84     1.09469   111.00104    60.26072
   85    83 S   HC   _H6_    85     1.09468   111.00126   -60.25926
   86    83 S   HC   _H7_    86     1.09449   110.26131  -180.00000
  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   9   5   4   8   3  11  10   5   7   3   7
   4   3   7   3   7   3   8   4   8   4   9   5   4   9   5   4
   9   5   4   8   5   4   9   5   4   5   4   3   6   5   4   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    44    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    44    45    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    48    49    50    53    46  
   38    39    40    41    43    44    45    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    48    46  
   40    41    42    43    44  
   41    42    43    44  
   42    43    44    45    48    46    47    51  
   43    44    46  
   44    45    48    49    50    53    46    47    51    52    55  
   45    48    49    50    53    54    57    46    47    51  
   48    49    50    53    46  
   47    51    52    55    56    59    48  
   51    52    55  
   49    50    53    54    57    58    62  
   50    53    54    57  
   53    54    57  
   52    55    56    59    60    61    65  
   55    56    59  
   54    57    58    62    63    64    68  
   57    58    62  
   56    59    60    61    65    66    67    71  
   59    60    61    65  
   58    62    63    64    68    69    70    74  
   62    63    64    68  
   60    61    65    66    67    71    72    73    77  
   61    65    66    67    71  
   65    66    67    71  
   63    64    68    69    70    74    75    76    80  
   64    68    69    70    74  
   68    69    70    74  
   66    67    71    72    73    77    78    79    83  
   67    71    72    73    77  
   71    72    73    77  
   69    70    74    75    76    80    81    82  
   70    74    75    76    80  
   74    75    76    80  
   72    73    77    78    79    83    84    85    86  
   73    77    78    79    83  
   77    78    79    83  
   75    76    80    81    82  
   76    80    81    82  
   80    81    82  
   78    79    83    84    85    86  
   79    83    84    85    86  
   83    84    85    86  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    44   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   317.000  1.510
   43    46   549.000  1.340
   44    45   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   340.000  1.080
   53    57   549.000  1.340
   57    58   340.000  1.080
   57    62   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    80   317.000  1.522
   80    81   656.000  1.250
   80    82   656.000  1.250
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    44    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    44    43    70.00000  112.02700
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    65.00000  116.34900
   41    43    46    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    44    45    35.00000  109.50000
   43    44    48    70.00000  112.02700
   43    46    47    35.00000  120.00000
   43    46    51    70.00000  123.01800
   44    33    34    37.50000  110.70000
   44    33    38    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    70.00000  112.02700
   48    44    45    37.50000  110.70000
   48    53    54    35.00000  117.00000
   48    53    57    70.00000  124.00000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    57    58    35.00000  120.00000
   53    57    62    70.00000  124.00000
   57    53    54    35.00000  120.00000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    68    70.00000  112.02700
   62    57    58    35.00000  117.00000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    74    58.35000  112.70000
   64    62    63    33.00000  107.80000
   68    62    63    37.50000  110.70000
   68    62    64    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    80    70.00000  109.69300
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    80    81    70.00000  117.00000
   74    80    82    70.00000  117.00000
   76    74    75    33.00000  107.80000
   80    74    75    35.00000  109.50000
   80    74    76    35.00000  109.50000
   82    80    81    80.00000  126.00000
   46    43    44    70.00000  124.00000
   46    51    52    35.00000  120.00000
   46    51    55    70.00000  123.01800
   51    46    47    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    59    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    65    70.00000  112.02700
   59    55    56    35.00000  117.00000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    71    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    77    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    83    58.35000  112.70000
   73    71    72    33.00000  107.80000
   77    71    72    37.50000  110.70000
   77    71    73    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    44    43   0.56750  1.0 1.0
   29    33    44    43  -0.07550 -1.0 2.0
   29    33    44    43   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.65300  1.0 1.0
   33    38   -41    43  -0.03850 -1.0 2.0
   33    38   -41    43   0.33900  1.0 3.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    53   0.34400  1.0 1.0
   33    44    48    53   0.09450 -1.0 2.0
   33    44    48    53   0.11100  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  -0.11250  1.0 3.0
   34    33    44    43   0.15000  1.0 3.0
   34    33    44    45   0.15000  1.0 3.0
   34    33    44    48   0.15000  1.0 3.0
   38    33   -44    43   0.34400  1.0 1.0
   38    33   -44    43   0.09450 -1.0 2.0
   38    33   -44    43   0.11100  1.0 3.0
   38    33    44    45   0.15000  1.0 3.0
   38    33    44    48   0.56750  1.0 1.0
   38    33    44    48  -0.07550 -1.0 2.0
   38    33    44    48   0.20000  1.0 3.0
   38    41   -43    44   0.25700  1.0 1.0
   38    41   -43    44   0.66200 -1.0 2.0
   38    41   -43    44   0.04450  1.0 3.0
   38    41    43    46  -0.33500  1.0 1.0
   38    41    43    46   1.06600 -1.0 2.0
   38    41    43    46  -0.14000  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43   -44    33   0.09700  1.0 1.0
   41    43   -44    33   0.15600 -1.0 2.0
   41    43   -44    33  -0.50800  1.0 3.0
   41    43    44    45   0.15000  1.0 3.0
   41    43    44    48   0.09700  1.0 1.0
   41    43    44    48   0.15600 -1.0 2.0
   41    43    44    48  -0.50800  1.0 3.0
   41    43    46    47   7.00000 -1.0 2.0
   41    43    46    51   7.00000 -1.0 2.0
   42    41    43    44  -0.64400  1.0 1.0
   42    41    43    44   0.26850 -1.0 2.0
   42    41    43    46   1.00000 -1.0 2.0
   43    44    48    49   0.15000  1.0 3.0
   43    44    48    50   0.15000  1.0 3.0
   43    44    48    53   0.31000  1.0 1.0
   43    44    48    53   0.14700 -1.0 2.0
   43    44    48    53   0.07550  1.0 3.0
   43    46    51    52  -0.18600  1.0 3.0
   43    46    51    55   0.28850  1.0 1.0
   43    46    51    55   2.61350 -1.0 2.0
   43    46    51    55   0.78400  1.0 3.0
   44    33    38    39   0.15000  1.0 3.0
   44    33    38    40   0.15000  1.0 3.0
   44    33   -38    41  -0.95700  1.0 1.0
   44    33   -38    41  -0.18200 -1.0 2.0
   44    33   -38    41   0.29450  1.0 3.0
   44    43    46    47   7.00000 -1.0 2.0
   44    43    46    51   7.00000 -1.0 2.0
   44    48    53    54   0.00000  1.0 1.0
   44    48    53    57   0.09850  1.0 1.0
   44    48    53    57   0.15250 -1.0 2.0
   44    48    53    57  -0.50650  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.15000  1.0 3.0
   48    53    57    58   7.00000 -1.0 2.0
   48    53    57    62   7.00000 -1.0 2.0
   49    48    53    54   0.33100  1.0 3.0
   49    48    53    57   0.00000  1.0 1.0
   50    48    53    54   0.33100  1.0 3.0
   50    48    53    57   0.00000  1.0 1.0
   53    57    62    63   0.00000  1.0 1.0
   53    57    62    64   0.00000  1.0 1.0
   53    57    62    68   0.09850  1.0 1.0
   53    57    62    68   0.15250 -1.0 2.0
   53    57    62    68  -0.50650  1.0 3.0
   54    53    57    58   7.00000 -1.0 2.0
   54    53    57    62   7.00000 -1.0 2.0
   57    62    68    69   0.15000  1.0 3.0
   57    62    68    70   0.15000  1.0 3.0
   57    62    68    74   0.34400  1.0 1.0
   57    62    68    74   0.09450 -1.0 2.0
   57    62    68    74   0.11100  1.0 3.0
   58    57    62    63   0.33100  1.0 3.0
   58    57    62    64   0.33100  1.0 3.0
   58    57    62    68   0.00000  1.0 1.0
   62    68    74    75   0.15000  1.0 3.0
   62    68    74    76   0.15000  1.0 3.0
   62    68    74    80  -1.63150  1.0 1.0
   62    68    74    80  -0.43550 -1.0 2.0
   62    68    74    80   0.24500  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    70   0.15000  1.0 3.0
   63    62    68    74   0.15000  1.0 3.0
   64    62    68    69   0.15000  1.0 3.0
   64    62    68    70   0.15000  1.0 3.0
   64    62    68    74   0.15000  1.0 3.0
   68    74    80    81   0.41150 -1.0 2.0
   68    74    80    82   0.41150 -1.0 2.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    80  -0.11250  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    80  -0.11250  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   75    74    80    82   0.00000  1.0 1.0
   76    74    80    81   0.00000  1.0 1.0
   76    74    80    82   0.00000  1.0 1.0
   46    43    44    33   0.09850  1.0 1.0
   46    43    44    33   0.15250 -1.0 2.0
   46    43    44    33  -0.50650  1.0 3.0
   46    43    44    45   0.00000  1.0 1.0
   46    43    44    48   0.09850  1.0 1.0
   46    43    44    48   0.15250 -1.0 2.0
   46    43    44    48  -0.50650  1.0 3.0
   46    51    55    56   7.00000 -1.0 2.0
   46    51    55    59   7.00000 -1.0 2.0
   47    46    51    52   0.00000  1.0 1.0
   47    46    51    55  -0.18600  1.0 3.0
   51    55    59    60   0.00000  1.0 1.0
   51    55    59    61   0.00000  1.0 1.0
   51    55    59    65   0.09850  1.0 1.0
   51    55    59    65   0.15250 -1.0 2.0
   51    55    59    65  -0.50650  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    59   7.00000 -1.0 2.0
   55    59    65    66   0.15000  1.0 3.0
   55    59    65    67   0.15000  1.0 3.0
   55    59    65    71   0.34400  1.0 1.0
   55    59    65    71   0.09450 -1.0 2.0
   55    59    65    71   0.11100  1.0 3.0
   56    55    59    60   0.33100  1.0 3.0
   56    55    59    61   0.33100  1.0 3.0
   56    55    59    65   0.00000  1.0 1.0
   59    65    71    72   0.15000  1.0 3.0
   59    65    71    73   0.15000  1.0 3.0
   59    65    71    77   0.56750  1.0 1.0
   59    65    71    77  -0.07550 -1.0 2.0
   59    65    71    77   0.20000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    71   0.15000  1.0 3.0
   61    59    65    66   0.15000  1.0 3.0
   61    59    65    67   0.15000  1.0 3.0
   61    59    65    71   0.15000  1.0 3.0
   65    71    77    78   0.15000  1.0 3.0
   65    71    77    79   0.15000  1.0 3.0
   65    71    77    83   0.56750  1.0 1.0
   65    71    77    83  -0.07550 -1.0 2.0
   65    71    77    83   0.20000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    77   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    77   0.15000  1.0 3.0
   71    77    83    84   0.15000  1.0 3.0
   71    77    83    85   0.15000  1.0 3.0
   71    77    83    86   0.15000  1.0 3.0
   72    71    77    78   0.15000  1.0 3.0
   72    71    77    79   0.15000  1.0 3.0
   72    71    77    83   0.15000  1.0 3.0
   73    71    77    78   0.15000  1.0 3.0
   73    71    77    79   0.15000  1.0 3.0
   73    71    77    83   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    46   1.10000 -1.0 2.0
   48    54    53    57  15.00000 -1.0 2.0
   62    58    57    53  15.00000 -1.0 2.0
   81    74    80    82  10.50000 -1.0 2.0
   51    47    46    43   1.10000 -1.0 2.0
   46    52    51    55  15.00000 -1.0 2.0
   59    56    55    51  15.00000 -1.0 2.0
END
