* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    142    218     421
    1     0 S   NP   _N1_     1    28.69112    96.33116   -22.89812
    2     1 S   H    _HN1     2     1.02828    38.79391   165.67163
    3     1 S   H    _H1_     3     1.02785   101.49506   -90.00521
    4     1 S   H    _H2_     4     1.02950    73.25847    15.92930
    5     1 S   CT   _CA1     5     1.50116   141.91369   117.82755
    6     5 S   HC   _HA1     6     1.09572   105.20253    89.02269
    7     5 S   CO3  _C1_     7     1.53793   112.44216   -31.23152
    8     7 S   O2Z  _O11     8     1.26374   115.00383   -42.74322
    9     7 S   O2Z  _O12     9     1.26237   114.94668   136.38028
   10     5 S   CT   _CB1    10     1.53078   107.41984  -152.97973
   11    10 S   HC   HB11    11     1.09832   109.39773   -49.57598
   12    10 S   HC   HB12    12     1.09814   110.43483    67.03602
   13    10 S   CT   _CG1    13     1.52990   112.60448  -170.54870
   14    13 S   HC   HG11    14     1.09584   110.62216   -65.14391
   15    13 S   HC   HG12    15     1.09668   109.80621    54.09626
   16    13 S   C    _CD1    16     1.51798   112.22229   174.56693
   17    16 S   O    _OE1    17     1.22733   123.27951     6.32019
   18    16 S   N    _N2_    18     1.38636   111.66213  -173.81442
   19    18 S   H    _HN2    19     1.01586   118.98787     1.77388
   20    18 S   CT1  _CA2    20     1.46252   123.43387   178.20954
   21    20 S   HC   _HA2    21     1.09740   109.32703     2.86396
   22    20 S   C    _C2_    22     1.53568   108.79760  -112.62408
   23    22 S   O    _O2_    23     1.23050   122.28634  -149.63002
   24    20 S   CT   _CB2    32     1.53483   111.42317   124.77108
   25    24 S   HC   HB21    33     1.09463   109.40055    56.63101
   26    24 S   HC   HB22    34     1.09416   109.79734   175.57521
   27    22 S   N    _N3_    24     1.38336   113.75799    37.93117
   28    27 S   H    _HN3    25     1.01575   119.56374    -3.49782
   29    24 S   S    _SG2    35     1.83360   110.81367   -64.59700
   30    27 S   CT   _CA3    26     1.45279   123.20704   177.07457
   31    30 S   HC   HA31    27     1.09549   107.52405   -64.30710
   32    30 S   HC   HA32    28     1.09557   107.97284    52.13071
   33    29 S   CT   _C19    36     1.86153   102.46194   173.98859
   34    30 S   CO3  _C3_    29     1.52956   114.07985   174.12157
   35    34 S   O2Z  _O31    30     1.26377   116.06811    -0.48497
   36    34 S   O2Z  _O32    31     1.26428   114.41290   179.57387
   37    33 S   CM   _C16    37     1.50446   109.74028    56.53040
   38    33 S   CT   _C7_    56     1.57193   111.07171  -174.36049
   39    38 S   HC   _H3_    57     1.09638   106.74026   -58.58722
   40    37 S   CMA  _C17    38     1.35089   111.07224  -115.70765
   41    40 S   OM   _O36    39     1.26189   128.86547   177.35684
   42    37 S   CT   _C15    43     1.51976   120.19252    61.22773
   43    42 S   HC   _H19    44     1.09922   107.31728  -100.44209
   44    42 S   HC   _H20    45     1.09628   110.53734    12.23952
   45    38 S   CT   _C6_    58     1.56626   112.99683    57.41386
   46    45 S   HC   _H11    59     1.09414   111.71618   -16.56112
   47    45 S   HC   _H12    60     1.09767   109.99455    99.99611
   48    40 S   OS   _O34    40     1.42607   109.73211    -1.31611
   49    42 S   CM   _C12    46     1.52118   116.39869   135.77627
   50    45 S   CT   _C5_    61     1.53426   112.67864  -137.40505
   51    50 S   HC   _H9_    62     1.09405   110.95884   -57.58512
   52    50 S   HC   _H10    63     1.09636   109.55983    60.44917
   53    33 S   CO4  _C18    41     1.51176   109.16032   -51.88222
   54    53 S   O    _O35    42     1.22417   125.92964   -62.12573
   55    49 S   CT   _C11    47     1.52011   119.61402   -84.27108
   56    55 S   HC   _H5_    48     1.09694   108.93856   142.50667
   57    50 S   CT   _C4_    64     1.52121   111.36570  -179.01166
   58    57 S   HC   _H6_    65     1.09472   111.03039   -59.83172
   59    57 S   HC   _H7_    66     1.09449   110.24922  -179.54716
   60    57 S   HC   _H8_    67     1.09465   110.97007    60.72224
   61    49 S   CM   _C13    72     1.35219   118.56970   100.06742
   62    61 S   HC   _H15    73     1.08934   118.22059    -2.73988
   63    55 S   CT   _C10    49     1.53016   118.17358    19.04844
   64    63 S   HC   _H13    50     1.09200   110.20154   -64.42427
   65    63 S   HC   _H14    51     1.09791   109.73213  -178.99966
   66    55 S   OH   _O37    70     1.43331   107.01400  -101.46353
   67    66 S   HO   _H21    71     0.97226   107.41933  -168.90447
   68    61 S   CT   _C14    74     1.49514   128.03601   177.24359
   69    68 S   HC   _H16    75     1.09469   109.48836  -124.34656
   70    68 S   HC   _H17    76     1.09439   109.67362   117.21169
   71    68 S   HC   _H18    77     1.09194   113.80674    -3.98684
   72    63 S   CO4  _C9_    52     1.51359   113.32624    61.65773
   73    72 S   O    _O33    53     1.23317   120.97090    43.81887
   74    72 S   CT   _C8_    54     1.52197   118.49673  -141.29990
   75    74 S   HC   _H4_    55     1.09627   108.54772   177.62331
   76    74 S   OH   _O38    68     1.42703   103.51649   -68.42355
   77    76 S   HO   _H22    69     0.97328   107.52118   -67.84211
  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  11   5   4   3
  20   2   1   1  15  20   9   8   3  12   4   3  14   6   5   2
  14   7   5   4   2   1  12   7   3   2   1   1   7   4   9   5
   4   2   1   3   2   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    53    54    42    74    38    39    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    53    54    42    43    44    49    72    74    75    38    39    45    46    47    50    76  
   35    36  
   36  
    0  
   40    41    48    53    54    42    43    44    49    55    74    38    39    45    61  
   39    45    46    47    50    51    52    57    76    77    40    42    48    53    54    63    72    73    74    75  
   45    46    47    50    76    53    72    74    75  
   41    48    53    54    42    43    44    49  
   48    53    42  
   43    44    49    55    56    63    66    61    62    68    48    53  
   44    49    55    61  
   49    55    61  
   46    47    50    51    52    57    58    59    60    76    53    72    74    75  
   47    50    51    52    57    74  
   50    51    52    57    74  
   53    54  
   55    56    63    64    65    72    66    67    61    62    68    69    70    71  
   51    52    57    58    59    60    74  
   52    57    58    59    60  
   57    58    59    60  
   54    74  
    0  
   56    63    64    65    72    73    74    66    67    61    62    68  
   63    64    65    72    66    67    61  
   58    59    60  
   59    60  
   60  
    0  
   62    68    69    70    71    63    66  
   68    69    70    71  
   64    65    72    73    74    75    76    66    67  
   65    72    73    74    66  
   72    73    74    66  
   67    72  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   77  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.565000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   317.000  1.522
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    53   214.000  1.327
   53    54   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   317.000  1.510
   49    55   317.000  1.510
   49    61   549.000  1.340
   55    56   340.000  1.090
   55    63   268.000  1.529
   55    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    72   317.000  1.522
   72    73   570.000  1.229
   72    74   317.000  1.522
   74    75   340.000  1.090
   74    38   268.000  1.529
   74    76   320.000  1.410
   38    39   340.000  1.090
   38    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   76    77   553.000  0.945
   66    67   553.000  0.945
   61    62   340.000  1.080
   61    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    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    37    75.00000  112.20000
   29    33    53    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    53    48    81.00000  111.40000
   33    53    54    80.00000  120.40000
   33    38    74    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    45    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    48    80.00000  120.01400
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    49    70.00000  110.12100
   40    48    53    90.00000  114.22900
   48    40    41    65.00000  121.00000
   48    53    54    83.00000  123.40000
   53    33    37    70.00000  109.06800
   42    37    40    70.00000  124.00000
   42    49    55    65.00000  117.92700
   42    49    61    70.00000  124.00000
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
   49    55    56    35.00000  109.50000
   49    55    63    70.00000  112.02700
   49    55    66    90.00000  110.39200
   49    61    62    35.00000  120.00000
   49    61    68    70.00000  124.00000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    72    63.00000  111.10000
   55    66    67    55.00000  108.50000
   63    55    56    37.50000  110.70000
   63    72    73    80.00000  120.40000
   63    72    74    70.00000  116.00000
   65    63    64    33.00000  107.80000
   72    63    64    35.00000  109.50000
   72    63    65    35.00000  109.50000
   72    74    75    35.00000  109.50000
   72    74    38    63.00000  111.10000
   72    74    76    90.00000  109.61100
   74    72    73    80.00000  120.40000
   74    38    39    37.50000  110.70000
   74    38    45    58.35000  112.70000
   74    76    77    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    33    53    63.00000  111.10000
   38    74    75    37.50000  110.70000
   38    45    46    37.50000  110.70000
   38    45    47    37.50000  110.70000
   38    45    50    58.35000  112.70000
   45    38    39    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    57    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   76    74    75    35.00000  109.50000
   76    74    38    50.00000  109.50000
   66    55    56    35.00000  109.50000
   66    55    63    50.00000  109.50000
   61    49    55    70.00000  124.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   68    61    62    35.00000  117.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    53    48   0.40000  1.0 3.0
   29    33    53    54   0.30150 -1.0 2.0
   29    33    38    74   0.44750  1.0 1.0
   29    33    38    74  -0.17800 -1.0 2.0
   29    33    38    74   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    45   0.44750  1.0 1.0
   29    33    38    45  -0.17800 -1.0 2.0
   29    33    38    45   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37   -40    48   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    49   0.09700  1.0 1.0
   33    37    42    49   0.15600 -1.0 2.0
   33    37    42    49  -0.50800  1.0 3.0
   33    38    45    46   0.15000  1.0 3.0
   33    38    45    47   0.15000  1.0 3.0
   33    38    45    50   0.56750  1.0 1.0
   33    38    45    50  -0.07550 -1.0 2.0
   33    38    45    50   0.20000  1.0 3.0
   37    33   -53    48   0.40000  1.0 3.0
   37    33    53    54   0.30150 -1.0 2.0
   37    33    38    74   0.34400  1.0 1.0
   37    33    38    74   0.09450 -1.0 2.0
   37    33    38    74   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    45   0.34400  1.0 1.0
   37    33    38    45   0.09450 -1.0 2.0
   37    33    38    45   0.11100  1.0 3.0
   37    40   -48    53  -1.93650  1.0 1.0
   37    40   -48    53   2.17750 -1.0 2.0
   37    40   -48    53  -0.40250  1.0 3.0
   37    42    49    55   0.09700  1.0 1.0
   37    42    49    55   0.15600 -1.0 2.0
   37    42    49    55  -0.50800  1.0 3.0
   37    42    49    61  -0.28300  1.0 1.0
   37    42    49    61   0.26700 -1.0 2.0
   37    42    49    61  -0.63300  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    49  -0.28300  1.0 1.0
   40    37    42    49   0.26700 -1.0 2.0
   40    37    42    49  -0.63300  1.0 3.0
   40    48   -53    33   0.82650  1.0 1.0
   40    48   -53    33   1.69000 -1.0 2.0
   40    48    53    54   3.00000 -1.0 2.0
   41    40    48    53   2.00000 -1.0 2.0
   53    33   -37    40  -0.51250  1.0 1.0
   53    33   -37    40  -0.88800 -1.0 2.0
   53    33   -37    40   0.08850  1.0 3.0
   53    33    37    42   0.17250  1.0 1.0
   53    33    37    42  -0.04100 -1.0 2.0
   53    33    37    42  -0.33850  1.0 3.0
   53    33    38    74  -0.95700  1.0 1.0
   53    33    38    74  -0.18200 -1.0 2.0
   53    33    38    74   0.29450  1.0 3.0
   53    33    38    39  -0.11250  1.0 3.0
   53    33    38    45  -0.95700  1.0 1.0
   53    33    38    45  -0.18200 -1.0 2.0
   53    33    38    45   0.29450  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    48   7.00000 -1.0 2.0
   42    49    55    56   0.34800  1.0 3.0
   42    49    55    63   0.46850  1.0 1.0
   42    49    55    63   0.08550 -1.0 2.0
   42    49    55    63   0.09800  1.0 3.0
   42    49    55    66   0.18000  1.0 1.0
   42    49    55    66   0.16450 -1.0 2.0
   42    49    55    66   0.04450  1.0 3.0
   42    49    61    62   7.00000 -1.0 2.0
   42    49    61    68   7.00000 -1.0 2.0
   43    42    49    55   0.34800  1.0 3.0
   43    42    49    61   0.00000  1.0 1.0
   44    42    49    55   0.34800  1.0 3.0
   44    42    49    61   0.00000  1.0 1.0
   49    55    63    64   0.15000  1.0 3.0
   49    55    63    65   0.15000  1.0 3.0
   49    55    63    72  -0.98800  1.0 1.0
   49    55    63    72   0.48800 -1.0 2.0
   49    55    63    72   0.76800  1.0 3.0
   49    55    66    67  -0.07800  1.0 1.0
   49    55    66    67  -0.21500 -1.0 2.0
   49    55    66    67  -0.03150  1.0 3.0
   49    61    68    69   0.00000  1.0 1.0
   49    61    68    70   0.00000  1.0 1.0
   49    61    68    71   0.00000  1.0 1.0
   55    49    61    62   7.00000 -1.0 2.0
   55    49    61    68   7.00000 -1.0 2.0
   55    63    72    73   0.30150 -1.0 2.0
   55    63    72    74   0.60050  1.0 1.0
   55    63    72    74   0.05600 -1.0 2.0
   55    63    72    74   0.26150  1.0 3.0
   56    55    63    64   0.15000  1.0 3.0
   56    55    63    65   0.15000  1.0 3.0
   56    55    63    72  -0.11250  1.0 3.0
   56    55    66    67   0.19450  1.0 3.0
   63    55    66    67  -0.11600  1.0 1.0
   63    55    66    67  -0.09450 -1.0 2.0
   63    55    66    67   0.21250  1.0 3.0
   63    72    74    75   0.00000  1.0 1.0
   63    72    74    38   0.60050  1.0 1.0
   63    72    74    38   0.05600 -1.0 2.0
   63    72    74    38   0.26150  1.0 3.0
   63    72    74    76   0.55300  1.0 1.0
   63    72    74    76   1.25850 -1.0 2.0
   63    72    74    76  -0.23600  1.0 3.0
   64    63    72    73   0.00000  1.0 1.0
   64    63    72    74   0.00000  1.0 1.0
   65    63    72    73   0.00000  1.0 1.0
   65    63    72    74   0.00000  1.0 1.0
   72    74    38    33  -0.95700  1.0 1.0
   72    74    38    33  -0.18200 -1.0 2.0
   72    74    38    33   0.29450  1.0 3.0
   72    74    38    39  -0.11250  1.0 3.0
   72    74    38    45  -0.95700  1.0 1.0
   72    74    38    45  -0.18200 -1.0 2.0
   72    74    38    45   0.29450  1.0 3.0
   72    74    76    77   0.91850  1.0 1.0
   72    74    76    77   0.57950  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    38   0.30150 -1.0 2.0
   73    72    74    76   0.30150 -1.0 2.0
   74    38    45    46   0.15000  1.0 3.0
   74    38    45    47   0.15000  1.0 3.0
   74    38    45    50   0.56750  1.0 1.0
   74    38    45    50  -0.07550 -1.0 2.0
   74    38    45    50   0.20000  1.0 3.0
   75    74    38    33   0.15000  1.0 3.0
   75    74    38    39   0.15000  1.0 3.0
   75    74    38    45   0.15000  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33    37    42   0.46850  1.0 1.0
   38    33    37    42   0.08550 -1.0 2.0
   38    33    37    42   0.09800  1.0 3.0
   38    33    53    48   0.36750  1.0 3.0
   38    33    53    54   0.30150 -1.0 2.0
   38    74    76    77  -0.11600  1.0 1.0
   38    74    76    77  -0.09450 -1.0 2.0
   38    74    76    77   0.21250  1.0 3.0
   38    45    50    51   0.15000  1.0 3.0
   38    45    50    52   0.15000  1.0 3.0
   38    45    50    57   0.56750  1.0 1.0
   38    45    50    57  -0.07550 -1.0 2.0
   38    45    50    57   0.20000  1.0 3.0
   39    38    45    46   0.15000  1.0 3.0
   39    38    45    47   0.15000  1.0 3.0
   39    38    45    50   0.15000  1.0 3.0
   45    50    57    58   0.15000  1.0 3.0
   45    50    57    59   0.15000  1.0 3.0
   45    50    57    60   0.15000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    57   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    57   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   76    74    38    33   0.86500  1.0 1.0
   76    74    38    33  -0.17500 -1.0 2.0
   76    74    38    33   0.20800  1.0 3.0
   76    74    38    39   0.23400  1.0 3.0
   76    74    38    45   0.86500  1.0 1.0
   76    74    38    45  -0.17500 -1.0 2.0
   76    74    38    45   0.20800  1.0 3.0
   66    55    63    64   0.23400  1.0 3.0
   66    55    63    65   0.23400  1.0 3.0
   66    55    63    72  -0.09450  1.0 1.0
   66    55    63    72  -1.12950 -1.0 2.0
   66    55    63    72   0.54000  1.0 3.0
   61    49    55    56   0.00000  1.0 1.0
   61    49    55    63   0.09850  1.0 1.0
   61    49    55    63   0.15250 -1.0 2.0
   61    49    55    63  -0.50650  1.0 3.0
   61    49    55    66   0.67800  1.0 1.0
   61    49    55    66   0.47050 -1.0 2.0
   61    49    55    66  -0.62500  1.0 3.0
   62    61    68    69   0.33100  1.0 3.0
   62    61    68    70   0.33100  1.0 3.0
   62    61    68    71   0.33100  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   41    48    40    37   1.10000 -1.0 2.0
   33    48    53    54  10.50000 -1.0 2.0
   42    55    49    61   1.10000 -1.0 2.0
   63    74    72    73  10.50000 -1.0 2.0
   68    62    61    49   1.10000 -1.0 2.0
END
