* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    228     443
    1     0 S   NP   _N1_     1    31.04276    94.09200   -28.61717
    2     1 S   H    _HN1     2     1.02829   126.59269  -133.37093
    3     1 S   H    _H1_     3     1.03024   103.36272    -8.59352
    4     1 S   H    _H2_     4     1.02798    19.70057  -112.19965
    5     1 S   CT   _CA1     5     1.50251    95.22058   103.92085
    6     5 S   HC   _HA1     6     1.09540   105.34830    70.90770
    7     5 S   CO3  _C1_     7     1.53720   112.38905   -49.82830
    8     7 S   O2Z  _O11     8     1.26395   114.95098   -41.58606
    9     7 S   O2Z  _O12     9     1.26218   114.99166   137.54405
   10     5 S   CT   _CB1    10     1.52843   107.20895  -170.82712
   11    10 S   HC   HB11    11     1.09805   109.35540   -47.33296
   12    10 S   HC   HB12    12     1.09710   110.06824    69.41019
   13    10 S   CT   _CG1    13     1.52914   113.53271  -168.60796
   14    13 S   HC   HG11    14     1.09563   110.63542   -62.96021
   15    13 S   HC   HG12    15     1.09610   110.20705    56.78519
   16    13 S   C    _CD1    16     1.51796   111.21822   176.89354
   17    16 S   O    _OE1    17     1.22802   123.07455    -1.81951
   18    16 S   N    _N2_    18     1.38593   112.19371   178.17737
   19    18 S   H    _HN2    19     1.01582   119.24571     2.75165
   20    18 S   CT1  _CA2    20     1.46077   122.80153  -179.28618
   21    20 S   HC   _HA2    21     1.09617   109.18803     0.88027
   22    20 S   C    _C2_    22     1.53490   109.47123  -114.35370
   23    22 S   O    _O2_    23     1.23084   122.04450  -151.73758
   24    20 S   CT   _CB2    32     1.53400   112.06660   122.62621
   25    24 S   HC   HB21    33     1.09662   109.53195    69.09516
   26    24 S   HC   HB22    34     1.09586   110.55153  -173.94903
   27    22 S   N    _N3_    24     1.38265   113.88435    35.75721
   28    27 S   H    _HN3    25     1.01603   119.58259    -3.64910
   29    24 S   S    _SG2    35     1.82850   115.45066   -50.64050
   30    27 S   CT   _CA3    26     1.45294   123.12483   176.92006
   31    30 S   HC   HA31    27     1.09552   107.52798   -63.81817
   32    30 S   HC   HA32    28     1.09559   107.94564    52.58935
   33    29 S   CT   _C21    36     1.82774   100.60700   -61.32580
   34    33 S   HC   _H3_    37     1.09285   108.80110    58.53746
   35    33 S   HC   _H4_    38     1.09534   107.68623   -58.28858
   36    30 S   CO3  _C3_    29     1.52935   114.14674   174.57957
   37    36 S   O2Z  _O31    30     1.26362   116.06571    -0.53814
   38    36 S   O2Z  _O32    31     1.26431   114.40755   179.52481
   39    33 S   CT   _C22    39     1.53680   114.51837  -179.88131
   40    39 S   HC   _H48    40     1.09904   106.56786   173.92430
   41    39 S   CO4  _C12    41     1.52162   111.44056   -69.21108
   42    41 S   O    _O22    42     1.22397   124.54558    70.21550
   43    39 S   CT   _C20    80     1.52695   114.55982    56.27402
   44    43 S   HC   _H43    81     1.09476   112.39117   -68.59281
   45    43 S   HC   _H44    82     1.09478   110.89290    52.99112
   46    43 S   HC   _H45    83     1.09599   110.23705   172.42547
   47    41 S   OS   _O25    43     1.36589   110.00761  -110.76585
   48    47 S   CT   _C17    44     1.45350   117.23956  -178.11446
   49    48 S   HC   _H36    45     1.09792   108.94475   -37.13698
   50    48 S   CT   _C13    46     1.55825   105.91914    82.13167
   51    50 S   HC   _H31    47     1.09939   107.97362    56.92443
   52    50 S   HC   _H32    48     1.09778   109.71258   -55.59842
   53    48 S   CT   _C15    61     1.56212   108.25264  -155.68488
   54    53 S   HC   _H34    62     1.09768   108.10359   -69.23552
   55    50 S   CM   _C6_    49     1.51160   116.03120  -178.61280
   56    53 S   CM   _C9_    63     1.49450   115.65533    52.29851
   57    55 S   CM   _C4_    50     1.34514   119.38512  -105.39557
   58    57 S   HC   _H27    51     1.08541   121.68810    -5.18860
   59    56 S   CO4  _C10    64     1.47136   110.81658   114.67832
   60    59 S   O    _O21    65     1.21791   127.21977  -176.84092
   61    56 S   CM   _C11    67     1.33695   128.49862   -69.42804
   62    61 S   HC   _H29    68     1.08455   121.12556     1.56935
   63    61 S   HC   _H30    69     1.08540   121.83119  -178.20420
   64    55 S   CT   _C18    76     1.50540   115.77065    73.65572
   65    64 S   HC   _H37    77     1.09251   111.08817   -58.35650
   66    64 S   HC   _H38    78     1.09354   113.06932  -179.46368
   67    64 S   HC   _H39    79     1.09527   109.71354    60.97752
   68    57 S   CO4  _C8_    52     1.47564   122.45837   167.30768
   69    68 S   O    _O20    53     1.22685   120.73390    99.17341
   70    80 S   OS   _O23    66     1.44156   110.40506    86.92352
   71    68 S   CM   _C5_    54     1.49937   118.43119   -80.57000
   72    71 S   HC   _H28    55     1.09028   110.90774   164.71892
   73    71 S   CM   _C7_    56     1.35205   131.19709   -14.72746
   74    73 S   CT   _C14    57     1.52218   125.52820    -2.93044
   75    74 S   HC   _H33    58     1.09055   108.63918   -30.47644
   76    73 S   CT   _C19    72     1.51096   118.81605   176.40223
   77    76 S   HC   _H40    73     1.09455   110.66157   115.35013
   78    76 S   HC   _H41    74     1.09542   112.37243    -4.59964
   79    76 S   HC   _H42    75     1.09452   110.47287  -124.19070
   80    74 S   CT   _C16    59     1.54418   111.77975    91.25944
   81    80 S   HC   _H35    60     1.09120   109.85710   -27.64750
   82    74 S   OH   _O24    70     1.42811   111.72475  -144.53477
   83    82 S   HO   _H49    71     0.97273   107.59563    56.19281
  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   7   5   4   3
  11   5   4   2   1   1   9   7  10   3   4   2   1   1  10  16
   8  14   5   4  15   7   9   9  10   4   8   3   4   1   1   4
   2   1   1   6   3   6  10   3  10   9   5   5   2   1   1   3
   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    43    44    45    46  
   35    39    40    41    43  
   39    40    41    43  
   37    38  
   38  
    0  
   40    41    42    47    48    43    44    45    46  
   41    42    47    43    44    45    46  
   42    47    48    49    50    53    43    44    45    46  
   47    48    43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    55    80    53    54    56  
   49    50    51    52    55    57    74    80    81    53    54    56    59    70    61    64  
   50    51    52    55    80    53    54    56  
   51    52    55    57    58    68    80    53    54    56    64    65    66    67  
   52    55    57    53    64  
   55    57    53    64  
   54    56    59    60    70    61    62    63    82    55    73    74    75    80    81  
   56    59    70    61    74    80    81  
   57    58    68    69    71    64    65    66    67  
   59    60    70    61    62    63    74    80    81  
   58    68    69    71    72    73    64    65    66    67  
   68    69    71    64  
   60    70    61    62    63    74    80    81  
   70    61    80  
   62    63    70    80  
   63  
    0  
   65    66    67    68  
   66    67  
   67  
    0  
   69    71    72    73    74    76  
   71    72    73  
   82    73    74    75    80    81  
   72    73    74    75    80    82    76    77    78    79  
   73    74    76  
   74    75    80    81    82    83    76    77    78    79  
   75    80    81    82    83    76    77    78    79  
   80    81    82    83    76  
   77    78    79    80    82  
   78    79  
   79  
    0  
   81    82    83  
   82  
   83  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    43   268.000  1.529
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   317.000  1.510
   55    57   549.000  1.340
   55    64   317.000  1.510
   57    58   340.000  1.080
   57    68   320.000  1.462
   68    69   570.000  1.229
   68    71   320.000  1.462
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   317.000  1.510
   73    76   317.000  1.510
   74    75   340.000  1.090
   74    80   268.000  1.529
   74    82   320.000  1.410
   80    81   340.000  1.090
   80    53   268.000  1.529
   80    70   320.000  1.410
   53    54   340.000  1.090
   53    56   317.000  1.510
   56    59   320.000  1.462
   56    61   549.000  1.340
   59    60   570.000  1.229
   59    70   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   82    83   553.000  0.945
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    43    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    47    81.00000  111.40000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    50.00000  109.50000
   47    48    53    50.00000  109.50000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    70.00000  112.02700
   48    53    80    58.35000  112.70000
   48    53    54    37.50000  110.70000
   48    53    56    70.00000  112.02700
   50    48    49    37.50000  110.70000
   50    55    57    70.00000  124.00000
   50    55    64    65.00000  117.92700
   52    50    51    33.00000  107.80000
   55    50    51    35.00000  109.50000
   55    50    52    35.00000  109.50000
   55    57    58    35.00000  120.00000
   55    57    68    65.00000  118.96000
   55    64    65    35.00000  109.50000
   55    64    66    35.00000  109.50000
   55    64    67    35.00000  109.50000
   57    68    69    80.00000  123.72100
   57    68    71    65.00000  118.65900
   68    57    58    40.00000  117.72500
   68    71    72    40.00000  117.72500
   68    71    73    65.00000  118.96000
   71    68    69    80.00000  123.72100
   71    73    74    70.00000  124.00000
   71    73    76    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    74    75    35.00000  109.50000
   73    74    80    70.00000  112.02700
   73    74    82    90.00000  110.39200
   73    76    77    35.00000  109.50000
   73    76    78    35.00000  109.50000
   73    76    79    35.00000  109.50000
   74    80    81    37.50000  110.70000
   74    80    53    58.35000  112.70000
   74    80    70    50.00000  109.50000
   74    82    83    55.00000  108.50000
   80    74    75    37.50000  110.70000
   80    53    54    37.50000  110.70000
   80    53    56    70.00000  112.02700
   80    70    59    83.00000  116.90000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    80    81    37.50000  110.70000
   53    56    59    65.00000  116.34900
   53    56    61    70.00000  124.00000
   56    53    54    35.00000  109.50000
   56    59    60    80.00000  123.72100
   56    59    70    90.00000  111.29400
   56    61    62    35.00000  120.00000
   56    61    63    35.00000  120.00000
   70    80    81    35.00000  109.50000
   70    80    53    50.00000  109.50000
   70    59    60    83.00000  123.40000
   61    56    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   82    74    75    35.00000  109.50000
   82    74    80    50.00000  109.50000
   76    73    74    65.00000  117.92700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   64    55    57    70.00000  124.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   43    39    40    37.50000  110.70000
   43    39    41    63.00000  111.10000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    47   0.36750  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    43   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    43   0.15000  1.0 3.0
   39    41    47    48   1.63150  1.0 1.0
   39    41    47    48   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    47   0.00000  1.0 1.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    46   0.15000  1.0 3.0
   41    39    43    44  -0.11250  1.0 3.0
   41    39    43    45  -0.11250  1.0 3.0
   41    39    43    46  -0.11250  1.0 3.0
   41    47    48    49   0.08050  1.0 3.0
   41    47    48    50  -0.25900  1.0 1.0
   41    47    48    50  -0.47000 -1.0 2.0
   41    47    48    50   0.11750  1.0 3.0
   41    47    48    53  -0.25900  1.0 1.0
   41    47    48    53  -0.47000 -1.0 2.0
   41    47    48    53   0.11750  1.0 3.0
   42    41    47    48   3.00000 -1.0 2.0
   47    48    50    51   0.23400  1.0 3.0
   47    48    50    52   0.23400  1.0 3.0
   47    48    50    55   0.61850  1.0 1.0
   47    48    50    55  -0.22750 -1.0 2.0
   47    48    50    55   0.15300  1.0 3.0
   47    48    53    80   0.62750  1.0 1.0
   47    48    53    80  -0.30950 -1.0 2.0
   47    48    53    80   0.27300  1.0 3.0
   47    48    53    54   0.23400  1.0 3.0
   47    48    53    56   0.61850  1.0 1.0
   47    48    53    56  -0.22750 -1.0 2.0
   47    48    53    56   0.15300  1.0 3.0
   48    50    55    57   0.09850  1.0 1.0
   48    50    55    57   0.15250 -1.0 2.0
   48    50    55    57  -0.50650  1.0 3.0
   48    50    55    64   0.46850  1.0 1.0
   48    50    55    64   0.08550 -1.0 2.0
   48    50    55    64   0.09800  1.0 3.0
   48    53    56    59   0.09700  1.0 1.0
   48    53    56    59   0.15600 -1.0 2.0
   48    53    56    59  -0.50800  1.0 3.0
   48    53    56    61   0.09850  1.0 1.0
   48    53    56    61   0.15250 -1.0 2.0
   48    53    56    61  -0.50650  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    80   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    56   0.15000  1.0 3.0
   50    48    53    80   0.56750  1.0 1.0
   50    48    53    80  -0.07550 -1.0 2.0
   50    48    53    80   0.20000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    56   0.34400  1.0 1.0
   50    48    53    56   0.09450 -1.0 2.0
   50    48    53    56   0.11100  1.0 3.0
   50    55    57    58   7.00000 -1.0 2.0
   50    55    57    68   7.00000 -1.0 2.0
   50    55    64    65   0.34800  1.0 3.0
   50    55    64    66   0.34800  1.0 3.0
   50    55    64    67   0.34800  1.0 3.0
   51    50    55    57   0.00000  1.0 1.0
   51    50    55    64   0.34800  1.0 3.0
   52    50    55    57   0.00000  1.0 1.0
   52    50    55    64   0.34800  1.0 3.0
   55    57    68    69   1.00000 -1.0 2.0
   55    57    68    71  -1.18350  1.0 1.0
   55    57    68    71   1.45950 -1.0 2.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    67   0.00000  1.0 1.0
   57    68    71    72   0.93700 -1.0 2.0
   57    68    71    73  -1.18350  1.0 1.0
   57    68    71    73   1.45950 -1.0 2.0
   58    57    68    69   0.00000  1.0 1.0
   58    57    68    71   0.93700 -1.0 2.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    76   7.00000 -1.0 2.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   1.00000 -1.0 2.0
   71    73    74    75   0.00000  1.0 1.0
   71    73    74    80   0.09850  1.0 1.0
   71    73    74    80   0.15250 -1.0 2.0
   71    73    74    80  -0.50650  1.0 3.0
   71    73    74    82   0.67800  1.0 1.0
   71    73    74    82   0.47050 -1.0 2.0
   71    73    74    82  -0.62500  1.0 3.0
   71    73    76    77   0.00000  1.0 1.0
   71    73    76    78   0.00000  1.0 1.0
   71    73    76    79   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    76   7.00000 -1.0 2.0
   73    74    80    81   0.15000  1.0 3.0
   73    74    80    53   0.34400  1.0 1.0
   73    74    80    53   0.09450 -1.0 2.0
   73    74    80    53   0.11100  1.0 3.0
   73    74    80    70   0.61850  1.0 1.0
   73    74    80    70  -0.22750 -1.0 2.0
   73    74    80    70   0.15300  1.0 3.0
   73    74    82    83  -0.07800  1.0 1.0
   73    74    82    83  -0.21500 -1.0 2.0
   73    74    82    83  -0.03150  1.0 3.0
   74    73    76    77   0.34800  1.0 3.0
   74    73    76    78   0.34800  1.0 3.0
   74    73    76    79   0.34800  1.0 3.0
   74    80    53    48   0.56750  1.0 1.0
   74    80    53    48  -0.07550 -1.0 2.0
   74    80    53    48   0.20000  1.0 3.0
   74    80    53    54   0.15000  1.0 3.0
   74    80    53    56   0.34400  1.0 1.0
   74    80    53    56   0.09450 -1.0 2.0
   74    80    53    56   0.11100  1.0 3.0
   74    80    70    59  -0.25900  1.0 1.0
   74    80    70    59  -0.47000 -1.0 2.0
   74    80    70    59   0.11750  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    53   0.15000  1.0 3.0
   75    74    80    70   0.23400  1.0 3.0
   75    74    82    83   0.19450  1.0 3.0
   80    74    82    83  -0.11600  1.0 1.0
   80    74    82    83  -0.09450 -1.0 2.0
   80    74    82    83   0.21250  1.0 3.0
   80    53   -56    59   0.09700  1.0 1.0
   80    53   -56    59   0.15600 -1.0 2.0
   80    53   -56    59  -0.50800  1.0 3.0
   80    53    56    61   0.09850  1.0 1.0
   80    53    56    61   0.15250 -1.0 2.0
   80    53    56    61  -0.50650  1.0 3.0
   81    80    53    48   0.15000  1.0 3.0
   81    80    53    54   0.15000  1.0 3.0
   81    80    53    56   0.15000  1.0 3.0
   81    80    70    59   0.08050  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    48    50    55   0.34400  1.0 1.0
   53    48    50    55   0.09450 -1.0 2.0
   53    48    50    55   0.11100  1.0 3.0
   53    80   -70    59  -0.25900  1.0 1.0
   53    80   -70    59  -0.47000 -1.0 2.0
   53    80   -70    59   0.11750  1.0 3.0
   53    56    59    60  -0.64400  1.0 1.0
   53    56    59    60   0.26850 -1.0 2.0
   53    56   -59    70  -0.15000  1.0 1.0
   53    56   -59    70   0.89550 -1.0 2.0
   53    56   -59    70  -0.06900  1.0 3.0
   53    56    61    62   7.00000 -1.0 2.0
   53    56    61    63   7.00000 -1.0 2.0
   54    53    56    59   0.15000  1.0 3.0
   54    53    56    61   0.00000  1.0 1.0
   56    59   -70    80   2.00000 -1.0 2.0
   59    56    61    62   7.00000 -1.0 2.0
   59    56    61    63   7.00000 -1.0 2.0
   60    59    70    80   3.00000 -1.0 2.0
   70    80    53    48   0.62750  1.0 1.0
   70    80    53    48  -0.30950 -1.0 2.0
   70    80    53    48   0.27300  1.0 3.0
   70    80    53    54   0.23400  1.0 3.0
   70    80   -53    56   0.61850  1.0 1.0
   70    80   -53    56  -0.22750 -1.0 2.0
   70    80   -53    56   0.15300  1.0 3.0
   61    56    59    60   1.00000 -1.0 2.0
   61    56    59    70  -0.56150  1.0 1.0
   61    56    59    70   2.19150 -1.0 2.0
   82    74    80    81   0.23400  1.0 3.0
   82    74    80    53   0.86500  1.0 1.0
   82    74    80    53  -0.17500 -1.0 2.0
   82    74    80    53   0.20800  1.0 3.0
   82    74    80    70   3.69350  1.0 1.0
   82    74    80    70  -1.82950 -1.0 2.0
   76    73    74    75   0.34800  1.0 3.0
   76    73    74    80   0.46850  1.0 1.0
   76    73    74    80   0.08550 -1.0 2.0
   76    73    74    80   0.09800  1.0 3.0
   76    73    74    82   0.18000  1.0 1.0
   76    73    74    82   0.16450 -1.0 2.0
   76    73    74    82   0.04450  1.0 3.0
   64    55    57    58   7.00000 -1.0 2.0
   64    55    57    68   7.00000 -1.0 2.0
   43    39    41    42   0.30150 -1.0 2.0
   43    39    41    47   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    47    41    42  10.50000 -1.0 2.0
   50    64    55    57   1.10000 -1.0 2.0
   68    58    57    55   1.10000 -1.0 2.0
   57    71    68    69  10.50000 -1.0 2.0
   68    72    71    73   1.10000 -1.0 2.0
   74    76    73    71   1.10000 -1.0 2.0
   53    59    56    61   1.10000 -1.0 2.0
   56    70    59    60  10.50000 -1.0 2.0
   62    63    61    56   1.10000 -1.0 2.0
END
