* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    159    249     470
    1     0 S   NP   _N1_     1    29.08200    92.94375   -22.51596
    2     1 S   H    _HN1     2     1.02966    92.83093    28.60030
    3     1 S   H    _H1_     3     1.02828    19.83256   165.25437
    4     1 S   H    _H2_     4     1.02773   100.53240   -80.63983
    5     1 S   CT   _CA1     5     1.50149   129.89017   148.23129
    6     5 S   HC   _HA1     6     1.09580   105.19451    65.22024
    7     5 S   CO3  _C1_     7     1.53780   112.44272   -54.82015
    8     7 S   O2Z  _O11     8     1.26351   115.01674   -41.62674
    9     7 S   O2Z  _O12     9     1.26252   114.91837   137.44746
   10     5 S   CT   _CB1    10     1.53079   107.36323  -176.98741
   11    10 S   HC   HB11    11     1.09820   109.16751   -51.43793
   12    10 S   HC   HB12    12     1.09823   110.43080    65.02672
   13    10 S   CT   _CG1    13     1.53010   112.79531  -172.66682
   14    13 S   HC   HG11    14     1.09596   110.29383   -65.04129
   15    13 S   HC   HG12    15     1.09642   110.12776    54.20200
   16    13 S   C    _CD1    16     1.51793   112.26714   174.32456
   17    16 S   O    _OE1    17     1.22742   123.23347    -7.90450
   18    16 S   N    _N2_    18     1.38684   111.73799   172.81643
   19    18 S   H    _HN2    19     1.01583   119.12276     1.27119
   20    18 S   CT1  _CA2    20     1.46058   123.19006  -179.16631
   21    20 S   HC   _HA2    21     1.09577   109.23535    -7.43688
   22    20 S   C    _C2_    22     1.53459   108.96358  -122.64985
   23    22 S   O    _O2_    23     1.23043   122.03640  -148.54001
   24    20 S   CT   _CB2    32     1.53451   111.78985   114.78461
   25    24 S   HC   HB21    33     1.09659   109.55040    64.07760
   26    24 S   HC   HB22    34     1.09576   110.81632  -178.69464
   27    22 S   N    _N3_    24     1.38452   113.56961    39.01954
   28    27 S   H    _HN3    25     1.01512   118.93145    -0.80721
   29    24 S   S    _SG2    35     1.82860   114.88612   -55.65309
   30    27 S   CT   _CA3    26     1.45447   123.47889   174.86832
   31    30 S   HC   HA31    27     1.09521   109.26680    24.00278
   32    30 S   HC   HA32    28     1.09495   107.12306   141.02658
   33    29 S   CT   _C22    36     1.82599    99.97976   -66.89637
   34    33 S   HC   _H23    37     1.09391   107.34570   -59.22183
   35    33 S   HC   _H24    38     1.09342   109.36188    58.26306
   36    30 S   CO3  _C3_    29     1.52925   113.06731   -99.48117
   37    36 S   O2Z  _O31    30     1.26405   115.39570   -44.57968
   38    36 S   O2Z  _O32    31     1.26351   114.98799   136.32734
   39    33 S   CT   _C20    39     1.53006   110.96869   179.75772
   40    39 S   HC   _H8_    40     1.09753   112.09638    42.10482
   41    39 S   CO4  _C21    41     1.50909   112.94140   -80.12138
   42    41 S   O    _O35    42     1.22073   126.62565    41.89508
   43    41 S   OS   _O36    43     1.36379   109.58968  -139.51381
   44    43 S   CT   _C14    44     1.44229   110.96394    -2.14101
   45    44 S   HC   _H6_    45     1.09794   106.98624   -94.99318
   46    44 S   CT   _C11    46     1.54158   108.88934   145.15677
   47    46 S   HC   _H5_    47     1.10025   108.44820   -55.28672
   48    39 S   CT   _C15    63     1.53423   111.93028   166.42536
   49    48 S   HC   _H7_    64     1.09952   108.94955    36.90449
   50    46 S   CM   _C12    48     1.52198   112.64524    62.40995
   51    50 S   CT   _C8_    49     1.49713   111.01251   115.35983
   52    51 S   HC   _H3_    50     1.09644   112.27804   149.61579
   53    50 S   CM   _C13    82     1.34041   125.36714   -72.59668
   54    53 S   HC   _H15    83     1.08505   121.12293  -175.89415
   55    53 S   HC   _H16    84     1.08438   121.52312     3.73203
   56    51 S   CT   _C9_    51     1.52369   101.21311    30.18031
   57    56 S   HC   _H13    52     1.09338   113.10819  -161.58536
   58    56 S   HC   _H14    53     1.09930   108.92001    79.97828
   59    51 S   OS   _O34    68     1.43397   108.09065   -87.59045
   60    46 S   CT   _C10    54     1.56058   116.81528  -177.46302
   61    60 S   HC   _H4_    55     1.10071   107.45613   112.52063
   62    59 S   CO4  _C7_    69     1.36034   116.44329  -161.86641
   63    62 S   O    _O33    70     1.21909   126.84674    -0.79130
   64    60 S   CM   _C18    56     1.52293   116.66224    -4.77418
   65    62 S   CM   _C6_    71     1.48164   107.10984   178.81799
   66    65 S   HC   _H12    72     1.08759   115.11939   -23.85976
   67    64 S   CT   _C17    57     1.51224   115.30275    71.06666
   68    67 S   HC   _H19    58     1.09712   110.03338    37.77634
   69    67 S   HC   _H20    59     1.09824   109.97818   153.15337
   70    64 S   CM   _C19    65     1.34364   125.91117  -113.17662
   71    70 S   HC   _H21    66     1.08101   123.17278     1.70330
   72    70 S   HC   _H22    67     1.08608   121.00676  -178.18706
   73    65 S   CM   _C5_    73     1.34533   125.28567   156.88150
   74    67 S   CT   _C16    60     1.52375   112.98474   -85.87124
   75    74 S   HC   _H17    61     1.09662   107.83530  -174.47526
   76    74 S   HC   _H18    62     1.09796   109.66921   -59.31669
   77    73 S   CT   _C4_    74     1.50691   119.83776   177.66108
   78    77 S   HC   _H9_    75     1.09498   110.32058   118.31836
   79    77 S   HC   _H10    76     1.09520   112.43412    -1.84345
   80    77 S   HC   _H11    77     1.09503   110.16802  -121.83909
   81    73 S   CT   _C23    78     1.50335   126.07727    -3.20845
   82    81 S   HC   _H25    79     1.09453   110.15280   105.72039
   83    81 S   HC   _H26    80     1.09182   113.49324   -16.27334
   84    81 S   HC   _H27    81     1.09580   110.11817  -135.04006
  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  13   7   8   3   9  16   7  19   8  10
   4  13  14   7   5   1   1   9   5   4   6   9   3   6   3   9
  10   3   8   5   4   3   1   1   8   2   1   1   7   3   2   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    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    74    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    67    74    75    76    48    49  
   41    42    43    44    74    48    49  
   42    43    44    45    46    74    48    49  
   43    44    48  
   44    45    46    47    50    60    74    48    49  
   45    46    47    50    51    56    60    61    64    67    74    75    76    48    49    53  
   46    47    50    60    74    48    49  
   47    50    51    52    56    57    58    60    61    64    67    74    48    49    70    59    53    54    55  
   50    51    56    60    61    64    48    53  
   49    50    60    64    67    68    69    74    75    76  
   67    74    75    76  
   51    52    56    57    58    60    61    64    59    62    53    54    55  
   52    56    57    58    60    61    64    59    62    63    65    53    54    55  
   56    57    58    60    59    62    53  
   54    55    56    59    60  
   55  
    0  
   57    58    60    61    64    67    70    59    62  
   58    60    61    64    59  
   60    61    64    59  
   62    63    65    66    73    60  
   61    64    67    68    69    74    70    71    72  
   64    67    70  
   63    65    66    73    77    81  
   65    66    73  
   67    68    69    74    75    76    70    71    72  
   66    73    77    78    79    80    81    82    83    84  
   73    77    81  
   68    69    74    75    76    70    71    72  
   69    74    75    76    70  
   74    75    76    70  
   71    72    74  
   72  
    0  
   77    78    79    80    81    82    83    84  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.047500   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   268.000  1.529
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    64   317.000  1.510
   64    67   317.000  1.510
   64    70   549.000  1.340
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    48   268.000  1.529
   48    49   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    65   320.000  1.462
   65    66   340.000  1.080
   65    73   549.000  1.340
   73    77   317.000  1.510
   73    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
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    48    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    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    74    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    60    58.35000  112.70000
   44    48    74    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    65.00000  117.92700
   46    50    53    70.00000  124.00000
   46    60    56    58.35000  112.70000
   46    60    61    37.50000  110.70000
   46    60    64    70.00000  112.02700
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    59    85.00000  110.90400
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    60    58.35000  112.70000
   51    59    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    64    70.00000  112.02700
   58    56    57    33.00000  107.80000
   60    46    47    37.50000  110.70000
   60    46    50    70.00000  112.02700
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    64    67    65.00000  117.92700
   60    64    70    70.00000  124.00000
   64    60    61    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    74    70.00000  112.02700
   64    70    71    35.00000  120.00000
   64    70    72    35.00000  120.00000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    69    37.50000  110.70000
   74    48    49    37.50000  110.70000
   76    74    75    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    74    75    37.50000  110.70000
   48    74    76    37.50000  110.70000
   70    64    67    70.00000  124.00000
   72    70    71    35.00000  117.00000
   59    51    52    35.00000  109.50000
   59    51    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    65    90.00000  111.29400
   62    65    66    40.00000  117.72500
   62    65    73    65.00000  118.96000
   65    62    63    80.00000  123.72100
   65    73    77    70.00000  124.00000
   65    73    81    70.00000  124.00000
   73    65    66    35.00000  120.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   73    81    82    35.00000  109.50000
   73    81    83    35.00000  109.50000
   73    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    73    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
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    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    74   0.56750  1.0 1.0
   33    39    48    74  -0.07550 -1.0 2.0
   33    39    48    74   0.20000  1.0 3.0
   33    39    48    49   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    48   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    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    74   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    74  -0.95700  1.0 1.0
   41    39    48    74  -0.18200 -1.0 2.0
   41    39    48    74   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    60   0.62750  1.0 1.0
   43    44    46    60  -0.30950 -1.0 2.0
   43    44    46    60   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    74   0.62750  1.0 1.0
   43    44    48    74  -0.30950 -1.0 2.0
   43    44    48    74   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.46850  1.0 1.0
   44    46    50    51   0.08550 -1.0 2.0
   44    46    50    51   0.09800  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    60    56   0.56750  1.0 1.0
   44    46    60    56  -0.07550 -1.0 2.0
   44    46    60    56   0.20000  1.0 3.0
   44    46    60    61   0.15000  1.0 3.0
   44    46    60    64   0.34400  1.0 1.0
   44    46    60    64   0.09450 -1.0 2.0
   44    46    60    64   0.11100  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    60   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    74   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    74   0.56750  1.0 1.0
   46    44    48    74  -0.07550 -1.0 2.0
   46    44    48    74   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.34800  1.0 3.0
   46    50   -51    56   0.46850  1.0 1.0
   46    50   -51    56   0.08550 -1.0 2.0
   46    50   -51    56   0.09800  1.0 3.0
   46    50    51    59   0.09700  1.0 1.0
   46    50    51    59   0.15600 -1.0 2.0
   46    50    51    59  -0.50800  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    55   7.00000 -1.0 2.0
   46    60    64    67   0.46850  1.0 1.0
   46    60    64    67   0.08550 -1.0 2.0
   46    60    64    67   0.09800  1.0 3.0
   46    60    64    70   0.09850  1.0 1.0
   46    60    64    70   0.15250 -1.0 2.0
   46    60    64    70  -0.50650  1.0 3.0
   47    46    50    51   0.34800  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    60    56   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    64   0.15000  1.0 3.0
   50    46   -60    56   0.34400  1.0 1.0
   50    46   -60    56   0.09450 -1.0 2.0
   50    46   -60    56   0.11100  1.0 3.0
   50    46    60    61   0.15000  1.0 3.0
   50    46    60    64   0.31000  1.0 1.0
   50    46    60    64   0.14700 -1.0 2.0
   50    46    60    64   0.07550  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51   -56    60   0.34400  1.0 1.0
   50    51   -56    60   0.09450 -1.0 2.0
   50    51   -56    60   0.11100  1.0 3.0
   50    51    59    62  -0.82050  1.0 1.0
   50    51    59    62   0.00600 -1.0 2.0
   50    51    59    62   0.04400  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -60    46   0.56750  1.0 1.0
   51    56   -60    46  -0.07550 -1.0 2.0
   51    56   -60    46   0.20000  1.0 3.0
   51    56    60    61   0.15000  1.0 3.0
   51    56    60    64   0.34400  1.0 1.0
   51    56    60    64   0.09450 -1.0 2.0
   51    56    60    64   0.11100  1.0 3.0
   51    59    62    63   3.00000 -1.0 2.0
   51    59    62    65   2.00000 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    60   0.15000  1.0 3.0
   52    51    59    62   0.08050  1.0 3.0
   56    51    59    62  -0.25900  1.0 1.0
   56    51    59    62  -0.47000 -1.0 2.0
   56    51    59    62   0.11750  1.0 3.0
   56    60    64    67   0.46850  1.0 1.0
   56    60    64    67   0.08550 -1.0 2.0
   56    60    64    67   0.09800  1.0 3.0
   56    60    64    70   0.09850  1.0 1.0
   56    60    64    70   0.15250 -1.0 2.0
   56    60    64    70  -0.50650  1.0 3.0
   57    56    60    46   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   58    56    60    46   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   60    46   -50    51   0.46850  1.0 1.0
   60    46   -50    51   0.08550 -1.0 2.0
   60    46   -50    51   0.09800  1.0 3.0
   60    46    50    53   0.09850  1.0 1.0
   60    46    50    53   0.15250 -1.0 2.0
   60    46    50    53  -0.50650  1.0 3.0
   60    64    67    68   0.34800  1.0 3.0
   60    64    67    69   0.34800  1.0 3.0
   60    64    67    74   0.46850  1.0 1.0
   60    64    67    74   0.08550 -1.0 2.0
   60    64    67    74   0.09800  1.0 3.0
   60    64    70    71   7.00000 -1.0 2.0
   60    64    70    72   7.00000 -1.0 2.0
   61    60    64    67   0.34800  1.0 3.0
   61    60    64    70   0.00000  1.0 1.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    48   0.34400  1.0 1.0
   64    67    74    48   0.09450 -1.0 2.0
   64    67    74    48   0.11100  1.0 3.0
   67    64    70    71   7.00000 -1.0 2.0
   67    64    70    72   7.00000 -1.0 2.0
   67    74    48    39   0.56750  1.0 1.0
   67    74    48    39  -0.07550 -1.0 2.0
   67    74    48    39   0.20000  1.0 3.0
   67    74    48    44   0.56750  1.0 1.0
   67    74    48    44  -0.07550 -1.0 2.0
   67    74    48    44   0.20000  1.0 3.0
   67    74    48    49   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    48   0.15000  1.0 3.0
   69    67    74    75   0.15000  1.0 3.0
   69    67    74    76   0.15000  1.0 3.0
   69    67    74    48   0.15000  1.0 3.0
   75    74    48    39   0.15000  1.0 3.0
   75    74    48    44   0.15000  1.0 3.0
   75    74    48    49   0.15000  1.0 3.0
   76    74    48    39   0.15000  1.0 3.0
   76    74    48    44   0.15000  1.0 3.0
   76    74    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    60   0.56750  1.0 1.0
   48    44    46    60  -0.07550 -1.0 2.0
   48    44    46    60   0.20000  1.0 3.0
   70    64    67    68   0.00000  1.0 1.0
   70    64    67    69   0.00000  1.0 1.0
   70    64    67    74   0.09850  1.0 1.0
   70    64    67    74   0.15250 -1.0 2.0
   70    64    67    74  -0.50650  1.0 3.0
   59    51    56    57   0.23400  1.0 3.0
   59    51    56    58   0.23400  1.0 3.0
   59    51    56    60   0.62750  1.0 1.0
   59    51    56    60  -0.30950 -1.0 2.0
   59    51    56    60   0.27300  1.0 3.0
   59    62    65    66   1.63100 -1.0 2.0
   59    62    65    73  -0.56150  1.0 1.0
   59    62    65    73   2.19150 -1.0 2.0
   62    65    73    77   7.00000 -1.0 2.0
   62    65    73    81   7.00000 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    73   1.00000 -1.0 2.0
   65    73    77    78   0.00000  1.0 1.0
   65    73    77    79   0.00000  1.0 1.0
   65    73    77    80   0.00000  1.0 1.0
   65    73    81    82   0.00000  1.0 1.0
   65    73    81    83   0.00000  1.0 1.0
   65    73    81    84   0.00000  1.0 1.0
   66    65    73    77   7.00000 -1.0 2.0
   66    65    73    81   7.00000 -1.0 2.0
   77    73    81    82   0.34800  1.0 3.0
   77    73    81    83   0.34800  1.0 3.0
   77    73    81    84   0.34800  1.0 3.0
   81    73    77    78   0.34800  1.0 3.0
   81    73    77    79   0.34800  1.0 3.0
   81    73    77    80   0.34800  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    59   0.39000  1.0 1.0
   53    50    51    59  -0.05800 -1.0 2.0
   53    50    51    59  -0.55150  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
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    51    50    53   1.10000 -1.0 2.0
   60    67    64    70   1.10000 -1.0 2.0
   71    72    70    64   1.10000 -1.0 2.0
   59    65    62    63  10.50000 -1.0 2.0
   62    66    65    73  15.00000 -1.0 2.0
   77    81    73    65  15.00000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
