* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    154    239     442
    1     0 S   NP   _N1_     1    28.53205    95.37311   -22.36569
    2     1 S   H    _HN1     2     1.02778    96.87042   -86.30305
    3     1 S   H    _H1_     3     1.02959    81.78180    21.31255
    4     1 S   H    _H2_     4     1.02836    33.04969   161.21192
    5     1 S   CT   _CA1     5     1.50119   141.49192   133.88196
    6     5 S   HC   _HA1     6     1.09576   105.22416    74.67048
    7     5 S   CO3  _C1_     7     1.53775   112.40284   -45.52306
    8     7 S   O2Z  _O11     8     1.26357   115.00220   -43.66596
    9     7 S   O2Z  _O12     9     1.26238   114.91860   135.50841
   10     5 S   CT   _CB1    10     1.53095   107.42811  -167.43492
   11    10 S   HC   HB11    11     1.09825   109.29580   -50.94053
   12    10 S   HC   HB12    12     1.09817   110.42807    65.59652
   13    10 S   CT   _CG1    13     1.53016   112.69390  -172.04831
   14    13 S   HC   HG11    14     1.09594   110.45953   -64.49870
   15    13 S   HC   HG12    15     1.09656   109.95695    54.72317
   16    13 S   C    _CD1    16     1.51826   112.32425   175.05189
   17    16 S   O    _OE1    17     1.22719   123.25996    -0.97076
   18    16 S   N    _N2_    18     1.38645   111.65110   179.28181
   19    18 S   H    _HN2    19     1.01580   118.99955     1.28801
   20    18 S   CT1  _CA2    20     1.46171   123.37467   179.20132
   21    20 S   HC   _HA2    21     1.09727   109.44166    -4.24455
   22    20 S   C    _C2_    22     1.53514   108.40212  -119.91090
   23    22 S   O    _O2_    23     1.23038   122.16637  -145.36893
   24    20 S   CT   _CB2    32     1.53359   111.65098   117.83245
   25    24 S   HC   HB21    33     1.09597   109.97031    56.39069
   26    24 S   HC   HB22    34     1.09425   109.90817   175.17700
   27    22 S   N    _N3_    24     1.38471   113.52181    41.86748
   28    27 S   H    _HN3    25     1.01505   118.97291    -0.53045
   29    24 S   S    _SG2    35     1.82783   112.01683   -64.44566
   30    27 S   CT   _CA3    26     1.45457   123.51932   175.37043
   31    30 S   HC   HA31    27     1.09517   109.37988    22.03607
   32    30 S   HC   HA32    28     1.09502   107.09811   139.04222
   33    29 S   CT   _C20    36     1.82801    99.31799   175.92907
   34    33 S   HC   _H3_    37     1.09536   106.54918  -161.13832
   35    33 S   HC   _H4_    38     1.09255   107.19840   -46.72647
   36    30 S   CO3  _C3_    29     1.52902   112.96008  -101.54344
   37    36 S   O2Z  _O31    30     1.26410   115.32142   -46.84879
   38    36 S   O2Z  _O32    31     1.26341   115.03373   134.04375
   39    33 S   CT   _C11    39     1.53147   112.57970    77.13631
   40    39 S   HC   _H29    40     1.09495   112.67295   -43.69172
   41    39 S   CO4  _C6_    41     1.51108   110.57251    79.12970
   42    41 S   O    _O18    42     1.22077   126.02745   -78.14298
   43    41 S   OS   _O20    43     1.36908   109.72043   101.40866
   44    43 S   CT   _C14    44     1.44039   110.26460    -5.53304
   45    44 S   HC   _H32    45     1.09822   107.29405   -88.28176
   46    44 S   CT   _C10    46     1.53955   111.84587   151.25236
   47    46 S   HC   _H28    47     1.09787   109.90786   -66.28640
   48    39 S   CT   _C12    55     1.53695   115.49905  -169.15899
   49    48 S   HC   _H30    56     1.10323   104.92389   165.93989
   50    46 S   CM   _C4_    48     1.54524   110.95510   172.25311
   51    50 S   CM   _C5_    49     1.34832   127.07540    57.73123
   52    50 S   CT   _C8_    68     1.52190   109.07492  -122.10168
   53    52 S   HC   _H24    69     1.09533   109.97172   115.22434
   54    52 S   HC   _H25    70     1.09490   111.30083  -123.33184
   55    51 S   CT   _C9_    50     1.50730   122.86919     0.53741
   56    55 S   HC   _H26    51     1.09825   109.74610    62.66692
   57    55 S   HC   _H27    52     1.09818   109.36835   176.09254
   58    51 S   CT   _C17    64     1.50791   123.15510  -179.56031
   59    58 S   HC   _H34    65     1.09541   109.96185   121.88047
   60    58 S   HC   _H35    66     1.09289   113.61251     1.78202
   61    58 S   HC   _H36    67     1.09516   110.03984  -118.71128
   62    52 S   C3T  _C13    71     1.49162   107.01656    -3.40249
   63    62 S   HC   _H31    72     1.07654   117.43191   149.57992
   64    55 S   CT   _C15    53     1.53466   113.67898   -61.97657
   65    64 S   HC   _H33    54     1.09724   110.51514   -44.91910
   66    46 S   C3T  _C16    73     1.53010   114.54464    53.89341
   67    64 S   OS   _O22    57     1.44905   107.90431  -165.15222
   68    62 S   O3T  _O21    74     1.43008   114.94529   -60.91164
   69    66 S   CT   _C19    75     1.48724   124.10528   -32.69987
   70    69 S   HC   _H40    76     1.09613   111.46134  -174.58228
   71    69 S   HC   _H41    77     1.09419   110.98585    66.30536
   72    69 S   HC   _H42    78     1.09425   110.82338   -55.31488
   73    67 S   CO4  _C7_    58     1.36275   117.44580    88.34669
   74    73 S   O    _O19    59     1.22300   126.33685    -0.34150
   75    73 S   CT   _C18    60     1.49826   109.52219  -179.78330
   76    75 S   HC   _H37    61     1.09270   109.93263   -55.07449
   77    75 S   HC   _H38    62     1.09372   109.36427  -173.82981
   78    75 S   HC   _H39    63     1.09265   109.75367    66.75972
  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  11
   4  17  15   9   5   4  10   5   4   4   2   1   1   7   3   5
   2   5   6   4   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    64    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    55    64    65    48    49    67  
   41    42    43    44    64    48    49  
   42    43    44    45    46    64    48    49  
   43    44    48  
   44    45    46    47    50    64    48    49    66  
   45    46    47    50    51    55    64    65    48    49    67    52    62    66    68    69  
   46    47    50    64    48    49    66  
   47    50    51    55    64    48    49    58    52    53    54    62    63    66    68    69    70    71    72  
   50    51    48    52    62    66    68    69  
   49    67    73    66    50    51    55    56    57    64    65  
   67    55    64    65  
   51    55    56    57    64    58    59    60    61    52    53    54    62    63    66    68    69  
   55    56    57    64    65    67    58    59    60    61    52    53    54    62    66  
   53    54    62    63    66    68    69    55    58  
   54    62    63    66    68  
   62    63    66    68  
   56    57    64    65    67    73    58    59    60    61  
   57    64    65    67    58  
   64    65    67    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    66    68    69    70    71    72  
   66    68    69  
   65    67    73    74    75  
   67    73  
   68    69    70    71    72  
   73    74    75    76    77    78  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    66   275.000  1.510
   50    51   549.000  1.340
   50    52   317.000  1.510
   51    55   317.000  1.510
   51    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    48   268.000  1.529
   64    67   320.000  1.410
   48    49   340.000  1.090
   67    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    62   275.000  1.510
   62    63   340.000  1.088
   62    66   260.000  1.509
   62    68   335.000  1.432
   66    68   335.000  1.432
   66    69   275.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   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    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    64    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    66    70.00000  112.37300
   44    48    64    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    52    65.00000  117.92700
   46    66    62    60.00000  120.94000
   46    66    68    80.00000  116.47100
   46    66    69    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    51    55    70.00000  124.00000
   50    51    58    70.00000  124.00000
   50    52    53    35.00000  109.50000
   50    52    54    35.00000  109.50000
   50    52    62    70.00000  112.02700
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    64    70.00000  112.02700
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    35.00000  109.50000
   55    64    65    37.50000  110.70000
   55    64    48    58.35000  112.70000
   55    64    67    50.00000  109.50000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    48    49    37.50000  110.70000
   64    67    73    83.00000  116.90000
   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    64    65    37.50000  110.70000
   67    64    65    35.00000  109.50000
   67    64    48    50.00000  109.50000
   67    73    74    83.00000  123.40000
   67    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   58    51    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    50    51    70.00000  124.00000
   52    62    63    40.00000  115.04500
   52    62    66    60.00000  120.94000
   52    62    68    80.00000  116.47100
   54    52    53    33.00000  107.80000
   62    52    53    45.00000  109.38400
   62    52    54    45.00000  109.38400
   62    66    68    15.00000   60.43100
   62    66    69    60.00000  120.94000
   62    68    66    15.00000   59.14900
   66    46    47    45.00000  109.38400
   66    46    50    70.00000  112.02700
   66    62    63    37.50000  117.20000
   66    69    70    45.00000  109.38400
   66    69    71    45.00000  109.38400
   66    69    72    45.00000  109.38400
   68    62    63    50.00000  114.27700
   68    62    66    15.00000   60.43100
   69    66    68    80.00000  116.47100
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    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    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    64   0.56750  1.0 1.0
   33    39    48    64  -0.07550 -1.0 2.0
   33    39    48    64   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    64   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    64  -0.95700  1.0 1.0
   41    39    48    64  -0.18200 -1.0 2.0
   41    39    48    64   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    66  -0.26800  1.0 1.0
   43    44    46    66   0.69150 -1.0 2.0
   43    44    46    66  -0.48750  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    64   0.62750  1.0 1.0
   43    44    48    64  -0.30950 -1.0 2.0
   43    44    48    64   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    52   0.46850  1.0 1.0
   44    46    50    52   0.08550 -1.0 2.0
   44    46    50    52   0.09800  1.0 3.0
   44    46    66    62   0.07850  1.0 1.0
   44    46    66    62  -0.03950 -1.0 2.0
   44    46    66    62   0.67350  1.0 3.0
   44    46    66    68   0.02550  1.0 1.0
   44    46    66    68  -0.02600 -1.0 2.0
   44    46    66    68   1.20400  1.0 3.0
   44    46    66    69   0.56750  1.0 1.0
   44    46    66    69  -0.07550 -1.0 2.0
   44    46    66    69   0.20000  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    66   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    64   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    64   0.56750  1.0 1.0
   46    44    48    64  -0.07550 -1.0 2.0
   46    44    48    64   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    55   7.00000 -1.0 2.0
   46    50    51    58   7.00000 -1.0 2.0
   46    50    52    53   0.34800  1.0 3.0
   46    50    52    54   0.34800  1.0 3.0
   46    50   -52    62   0.46850  1.0 1.0
   46    50   -52    62   0.08550 -1.0 2.0
   46    50   -52    62   0.09800  1.0 3.0
   46    66   -68    62   0.06250  1.0 1.0
   46    66   -68    62  -0.01100 -1.0 2.0
   46    66   -68    62   0.28050  1.0 3.0
   46    66    69    70   0.15000  1.0 3.0
   46    66    69    71   0.15000  1.0 3.0
   46    66    69    72   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    52   0.34800  1.0 3.0
   47    46    66    62   0.15000  1.0 3.0
   47    46    66    68   0.23400  1.0 3.0
   47    46    66    69   0.15000  1.0 3.0
   50    46   -66    62   0.34400  1.0 1.0
   50    46   -66    62   0.09450 -1.0 2.0
   50    46   -66    62   0.11100  1.0 3.0
   50    46    66    68   0.61850  1.0 1.0
   50    46    66    68  -0.22750 -1.0 2.0
   50    46    66    68   0.15300  1.0 3.0
   50    46    66    69   0.34400  1.0 1.0
   50    46    66    69   0.09450 -1.0 2.0
   50    46    66    69   0.11100  1.0 3.0
   50    51    55    56   0.00000  1.0 1.0
   50    51    55    57   0.00000  1.0 1.0
   50    51    55    64   0.09850  1.0 1.0
   50    51    55    64   0.15250 -1.0 2.0
   50    51    55    64  -0.50650  1.0 3.0
   50    51    58    59   0.00000  1.0 1.0
   50    51    58    60   0.00000  1.0 1.0
   50    51    58    61   0.00000  1.0 1.0
   50    52    62    63   0.15000  1.0 3.0
   50    52   -62    66   0.34400  1.0 1.0
   50    52   -62    66   0.09450 -1.0 2.0
   50    52   -62    66   0.11100  1.0 3.0
   50    52   -62    68   0.61850  1.0 1.0
   50    52   -62    68  -0.22750 -1.0 2.0
   50    52   -62    68   0.15300  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    62   0.09850  1.0 1.0
   51    50    52    62   0.15250 -1.0 2.0
   51    50    52    62  -0.50650  1.0 3.0
   51    55    64    65   0.15000  1.0 3.0
   51    55    64    48   0.34400  1.0 1.0
   51    55    64    48   0.09450 -1.0 2.0
   51    55    64    48   0.11100  1.0 3.0
   51    55    64    67   0.61850  1.0 1.0
   51    55    64    67  -0.22750 -1.0 2.0
   51    55    64    67   0.15300  1.0 3.0
   55    51    58    59   0.34800  1.0 3.0
   55    51    58    60   0.34800  1.0 3.0
   55    51    58    61   0.34800  1.0 3.0
   55    64    48    39   0.56750  1.0 1.0
   55    64    48    39  -0.07550 -1.0 2.0
   55    64    48    39   0.20000  1.0 3.0
   55    64    48    44   0.56750  1.0 1.0
   55    64    48    44  -0.07550 -1.0 2.0
   55    64    48    44   0.20000  1.0 3.0
   55    64    48    49   0.15000  1.0 3.0
   55    64    67    73  -0.25900  1.0 1.0
   55    64    67    73  -0.47000 -1.0 2.0
   55    64    67    73   0.11750  1.0 3.0
   56    55    64    65   0.15000  1.0 3.0
   56    55    64    48   0.15000  1.0 3.0
   56    55    64    67   0.23400  1.0 3.0
   57    55    64    65   0.15000  1.0 3.0
   57    55    64    48   0.15000  1.0 3.0
   57    55    64    67   0.23400  1.0 3.0
   64    67    73    74   3.00000 -1.0 2.0
   64    67    73    75   1.63150  1.0 1.0
   64    67    73    75   2.92000 -1.0 2.0
   65    64    48    39   0.15000  1.0 3.0
   65    64    48    44   0.15000  1.0 3.0
   65    64    48    49   0.15000  1.0 3.0
   65    64    67    73   0.08050  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    66   0.47050  1.0 1.0
   48    44    46    66   0.03900 -1.0 2.0
   48    44    46    66   0.20100  1.0 3.0
   48    64    67    73  -0.25900  1.0 1.0
   48    64    67    73  -0.47000 -1.0 2.0
   48    64    67    73   0.11750  1.0 3.0
   67    64    48    39   0.62750  1.0 1.0
   67    64    48    39  -0.30950 -1.0 2.0
   67    64    48    39   0.27300  1.0 3.0
   67    64    48    44   0.62750  1.0 1.0
   67    64    48    44  -0.30950 -1.0 2.0
   67    64    48    44   0.27300  1.0 3.0
   67    64    48    49   0.23400  1.0 3.0
   67    73    75    76   0.00000  1.0 1.0
   67    73    75    77   0.00000  1.0 1.0
   67    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   58    51    55    56   0.34800  1.0 3.0
   58    51    55    57   0.34800  1.0 3.0
   58    51    55    64   0.46850  1.0 1.0
   58    51    55    64   0.08550 -1.0 2.0
   58    51    55    64   0.09800  1.0 3.0
   52    50    51    55   7.00000 -1.0 2.0
   52    50    51    58   7.00000 -1.0 2.0
   52    62   -66    46   0.56750  1.0 1.0
   52    62   -66    46  -0.07550 -1.0 2.0
   52    62   -66    46   0.20000  1.0 3.0
   52    62   -66    68   0.02550  1.0 1.0
   52    62   -66    68  -0.02600 -1.0 2.0
   52    62   -66    68   1.20400  1.0 3.0
   52    62    66    69   0.56750  1.0 1.0
   52    62    66    69  -0.07550 -1.0 2.0
   52    62    66    69   0.20000  1.0 3.0
   52    62   -68    66   0.06250  1.0 1.0
   52    62   -68    66  -0.01100 -1.0 2.0
   52    62   -68    66   0.28050  1.0 3.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    66   0.15000  1.0 3.0
   53    52    62    68   0.23400  1.0 3.0
   54    52    62    63   0.15000  1.0 3.0
   54    52    62    66   0.15000  1.0 3.0
   54    52    62    68   0.23400  1.0 3.0
   62    66    69    70   0.15000  1.0 3.0
   62    66    69    71   0.15000  1.0 3.0
   62    66    69    72   0.15000  1.0 3.0
   63    62    66    46   0.15000  1.0 3.0
   63    62   -66    68   0.23400  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62   -68    66   0.36800  1.0 3.0
   66    46    50    51   0.09850  1.0 1.0
   66    46    50    51   0.15250 -1.0 2.0
   66    46    50    51  -0.50650  1.0 3.0
   66    46   -50    52   0.46850  1.0 1.0
   66    46   -50    52   0.08550 -1.0 2.0
   66    46   -50    52   0.09800  1.0 3.0
   68    62   -66    46   0.02550  1.0 1.0
   68    62   -66    46  -0.02600 -1.0 2.0
   68    62   -66    46   1.20400  1.0 3.0
   68    62   -66    69   0.02550  1.0 1.0
   68    62   -66    69  -0.02600 -1.0 2.0
   68    62   -66    69   1.20400  1.0 3.0
   68    66    69    70   0.23400  1.0 3.0
   68    66    69    71   0.23400  1.0 3.0
   68    66    69    72   0.23400  1.0 3.0
   69    66   -68    62   0.06250  1.0 1.0
   69    66   -68    62  -0.01100 -1.0 2.0
   69    66   -68    62   0.28050  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    43    41    42  10.50000 -1.0 2.0
   46    52    50    51   1.10000 -1.0 2.0
   55    58    51    50   1.10000 -1.0 2.0
   67    75    73    74  10.50000 -1.0 2.0
END
