* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    151    241     452
    1     0 S   NP   _N1_     1    28.83301    94.03030   -23.32535
    2     1 S   H    _HN1     2     1.02779   104.07895   -80.02962
    3     1 S   H    _H1_     3     1.02944    84.66610    27.60877
    4     1 S   H    _H2_     4     1.02840    25.75981   177.91569
    5     1 S   CT   _CA1     5     1.50131   132.47533   140.54249
    6     5 S   HC   _HA1     6     1.09582   105.16338    75.36006
    7     5 S   CO3  _C1_     7     1.53734   112.55941   -44.64764
    8     7 S   O2Z  _O11     8     1.26329   114.97253   -40.34983
    9     7 S   O2Z  _O12     9     1.26232   114.94310   138.80929
   10     5 S   CT   _CB1    10     1.53096   107.43007  -166.83508
   11    10 S   HC   HB11    11     1.09818   109.11807   -51.60613
   12    10 S   HC   HB12    12     1.09790   110.50172    64.87740
   13    10 S   CT   _CG1    13     1.53005   112.71065  -172.79508
   14    13 S   HC   HG11    14     1.09601   110.34971   -67.45306
   15    13 S   HC   HG12    15     1.09660   110.00615    51.77775
   16    13 S   C    _CD1    16     1.51765   112.43356   171.98193
   17    16 S   O    _OE1    17     1.22740   123.30305    -1.48042
   18    16 S   N    _N2_    18     1.38657   111.68428   178.74961
   19    18 S   H    _HN2    19     1.01604   119.11860    -0.27976
   20    18 S   CT1  _CA2    20     1.46050   123.14987   179.01127
   21    20 S   HC   _HA2    21     1.09548   108.98705   -13.82651
   22    20 S   C    _C2_    22     1.53475   108.71727  -128.73181
   23    22 S   O    _O2_    23     1.23023   122.11582  -148.51084
   24    20 S   CT   _CB2    32     1.53464   111.99263   108.73016
   25    24 S   HC   HB21    33     1.09668   109.34056    61.50252
   26    24 S   HC   HB22    34     1.09481   110.90086   178.42331
   27    22 S   N    _N3_    24     1.38476   113.44036    39.12759
   28    27 S   H    _HN3    25     1.01520   118.92115    -0.94936
   29    24 S   S    _SG2    35     1.83085   114.72996   -57.76491
   30    27 S   CT   _CA3    26     1.45455   123.51669   174.49007
   31    30 S   HC   HA31    27     1.09518   109.28193    23.35806
   32    30 S   HC   HA32    28     1.09493   107.11107   140.43465
   33    29 S   CT   _C15    36     1.83088   100.98488   -71.59179
   34    33 S   HC   _H3_    37     1.09409   106.79218    40.75993
   35    30 S   CO3  _C3_    29     1.52950   113.10040  -100.10235
   36    35 S   O2Z  _O31    30     1.26408   115.44455   -42.06976
   37    35 S   O2Z  _O32    31     1.26356   114.94595   138.80750
   38    33 S   CT   _C9_    38     1.53463   109.68123   -76.82142
   39    38 S   HC   _H27    39     1.09551   110.81389   146.50978
   40    38 S   HC   _H28    40     1.09282   114.85474    22.37836
   41    38 S   CO4  _C6_    41     1.51066   103.65659   -98.08478
   42    41 S   O    _O19    42     1.22702   121.70259   168.81040
   43    41 S   CT   _C16    43     1.54303   113.60811   -10.91261
   44    43 S   CT   _C14    44     1.55625   109.81535  -131.24033
   45    44 S   HC   _H35    45     1.09704   109.09133    54.57155
   46    33 S   CT   _C17    63     1.56220   119.66089   164.91039
   47    43 S   CT   _C19    76     1.53754   104.76526   109.25250
   48    47 S   HC   _H40    77     1.08976   112.92160   174.43870
   49    47 S   HC   _H41    78     1.09723   110.98351    55.18948
   50    47 S   HC   _H42    79     1.09011   113.16471   -63.00491
   51    44 S   CT   _C12    46     1.53714   119.39567   179.59506
   52    51 S   HC   _H33    47     1.10042   106.48377  -141.27961
   53    46 S   OH   _O22    64     1.46790   102.26300  -167.93801
   54    53 S   HO   _H45    65     0.97346   108.25589    65.73982
   55    51 S   CM   _C4_    48     1.49623   102.23701   107.34329
   56    51 S   CT   _C10    55     1.53288   120.27808   -19.53922
   57    56 S   HC   _H29    56     1.09970   106.97140  -168.61121
   58    56 S   HC   _H30    57     1.09380   111.83155    77.64381
   59    55 S   CO4  _C5_    49     1.47041   109.51913    14.30321
   60    59 S   O    _O18    50     1.21753   127.13134   173.23581
   61    55 S   CM   _C7_    52     1.33711   129.80486  -164.47276
   62    61 S   HC   _H25    53     1.08443   121.35462    -1.07520
   63    61 S   HC   _H26    54     1.08550   121.72236   179.27019
   64    56 S   CT   _C11    58     1.52198   115.51495   -50.24328
   65    64 S   HC   _H31    59     1.09798   107.92419  -152.66378
   66    64 S   HC   _H32    60     1.09662   109.65045   -39.84891
   67    44 S   OS   _O21    51     1.45338   110.06335   -58.68154
   68    64 S   CT   _C13    61     1.55380   115.13597    86.21968
   69    68 S   HC   _H34    62     1.10136   102.93309   176.29535
   70    68 S   CT   _C20    66     1.54021   112.06618    64.58838
   71    70 S   HC   _H43    67     1.08970   112.27433   -78.00111
   72    70 S   HC   _H44    68     1.09059   110.40870   159.65601
   73    70 S   OS   _O23    69     1.44258   109.91069    43.17965
   74    73 S   CO4  _C8_    70     1.36296   115.76940  -173.10477
   75    74 S   O    _O20    71     1.22309   126.19424    -1.03439
   76    74 S   CT   _C18    72     1.49822   109.48730   177.97001
   77    76 S   HC   _H37    73     1.09276   109.71654   -66.14274
   78    76 S   HC   _H38    74     1.09366   109.38423   174.54511
   79    76 S   HC   _H39    75     1.09307   109.93697    55.61828
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   8   2   1   1  10   5   4  13   4  19  19   8  18   7   2
   1   1  15   8   5   1  10  11   5   4   5   2   3   1   1   8
   4   3   1   6   4   6   3   2   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    68    46    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    64    68    69    46    53    54    70    47  
   38    39    40    41    43    68    46    53  
   36    37  
   37  
    0  
   39    40    41    42    43    44    68    46    53    47  
   40    41    42    43    46  
   41    42    43    46  
   42    43    44    45    51    67    68    46    53    47    48    49    50  
   43    44    46    47  
   44    45    51    52    55    59    67    56    64    68    69    46    53    54    70    47    48    49    50  
   45    51    52    55    59    60    67    61    56    57    58    64    68    46    53    47    48    49    50  
   51    52    55    59    67    56    46    47  
   53    54    70    71    72    73    47    48    49    50    51    56    64    65    66    67    68    69  
   48    49    50    51    53    67    68  
   49    50  
   50  
    0  
   52    55    59    60    67    61    62    63    56    57    58    64    65    66    68  
   55    59    67    61    56    57    58    64  
   54    70    64    68    69  
   68  
   59    60    67    61    62    63    56    57    58    64  
   57    58    64    65    66    68    69    70    59    61    67  
   58    64    65    66    68  
   64    65    66    68  
   60    67    61    62    63  
   67    61  
   62    63    67  
   63  
    0  
   65    66    68    69    70    71    72    73  
   66    68    69    70  
   68    69    70  
    0  
   69    70    71    72    73    74  
   70    71    72    73  
   71    72    73    74    75    76  
   72    73    74  
   73    74  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   79   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    46   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    46   268.000  1.529
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    67   320.000  1.410
   51    52   340.000  1.090
   51    55   317.000  1.510
   51    56   268.000  1.529
   55    59   320.000  1.462
   55    61   549.000  1.340
   59    60   570.000  1.229
   59    67   214.000  1.327
   61    62   340.000  1.080
   61    63   340.000  1.080
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    46   268.000  1.529
   68    70   268.000  1.529
   46    53   320.000  1.410
   53    54   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    46    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    46    43    58.35000  112.70000
   33    46    68    58.35000  112.70000
   33    46    53    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    46    63.00000  111.10000
   41    43    47    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    44    67    50.00000  109.50000
   43    46    68    58.35000  112.70000
   43    46    53    50.00000  109.50000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    55    70.00000  112.02700
   44    51    56    58.35000  112.70000
   44    67    59    83.00000  116.90000
   51    44    45    37.50000  110.70000
   51    55    59    65.00000  116.34900
   51    55    61    70.00000  124.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    64    58.35000  112.70000
   55    51    52    35.00000  109.50000
   55    59    60    80.00000  123.72100
   55    59    67    90.00000  111.29400
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   67    44    45    35.00000  109.50000
   67    44    51    50.00000  109.50000
   67    59    60    83.00000  123.40000
   61    55    59    65.00000  118.96000
   63    61    62    35.00000  117.00000
   56    51    52    37.50000  110.70000
   56    51    55    70.00000  112.02700
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    68    58.35000  112.70000
   58    56    57    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    58    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    46    58.35000  112.70000
   64    68    70    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    46    53    50.00000  109.50000
   68    70    71    37.50000  110.70000
   68    70    72    37.50000  110.70000
   68    70    73    50.00000  109.50000
   46    33    34    37.50000  110.70000
   46    33    38    58.35000  112.70000
   46    43    44    58.35000  112.70000
   46    68    69    37.50000  110.70000
   46    53    54    55.00000  108.50000
   70    68    69    37.50000  110.70000
   70    68    46    58.35000  112.70000
   70    73    74    83.00000  116.90000
   72    70    71    33.00000  107.80000
   73    70    71    35.00000  109.50000
   73    70    72    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    46    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    68   0.44750  1.0 1.0
   29    33    46    68  -0.17800 -1.0 2.0
   29    33    46    68   0.20200  1.0 3.0
   29    33    46    53   0.56750  1.0 1.0
   29    33    46    53  -0.07550 -1.0 2.0
   29    33    46    53   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  1.0 3.0
   33    46    53    54  -0.11600  1.0 1.0
   33    46    53    54  -0.09450 -1.0 2.0
   33    46    53    54   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    46    43   0.15000  1.0 3.0
   34    33    46    68   0.15000  1.0 3.0
   34    33    46    53   0.23400  1.0 3.0
   38    33   -46    43   0.56750  1.0 1.0
   38    33   -46    43  -0.07550 -1.0 2.0
   38    33   -46    43   0.20000  1.0 3.0
   38    33    46    68   0.56750  1.0 1.0
   38    33    46    68  -0.07550 -1.0 2.0
   38    33    46    68   0.20000  1.0 3.0
   38    33    46    53   0.86500  1.0 1.0
   38    33    46    53  -0.17500 -1.0 2.0
   38    33    46    53   0.20800  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    51  -0.95700  1.0 1.0
   41    43    44    51  -0.18200 -1.0 2.0
   41    43    44    51   0.29450  1.0 3.0
   41    43    44    67  -0.09450  1.0 1.0
   41    43    44    67  -1.12950 -1.0 2.0
   41    43    44    67   0.54000  1.0 3.0
   41    43   -46    33  -0.95700  1.0 1.0
   41    43   -46    33  -0.18200 -1.0 2.0
   41    43   -46    33   0.29450  1.0 3.0
   41    43    46    68  -0.95700  1.0 1.0
   41    43    46    68  -0.18200 -1.0 2.0
   41    43    46    68   0.29450  1.0 3.0
   41    43    46    53  -0.09450  1.0 1.0
   41    43    46    53  -1.12950 -1.0 2.0
   41    43    46    53   0.54000  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    50  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    46   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   43    44    51    52   0.15000  1.0 3.0
   43    44    51    55   0.34400  1.0 1.0
   43    44    51    55   0.09450 -1.0 2.0
   43    44    51    55   0.11100  1.0 3.0
   43    44    51    56   0.56750  1.0 1.0
   43    44    51    56  -0.07550 -1.0 2.0
   43    44    51    56   0.20000  1.0 3.0
   43    44    67    59  -0.25900  1.0 1.0
   43    44    67    59  -0.47000 -1.0 2.0
   43    44    67    59   0.11750  1.0 3.0
   43    46    53    54  -0.11600  1.0 1.0
   43    46    53    54  -0.09450 -1.0 2.0
   43    46    53    54   0.21250  1.0 3.0
   44    43    46    33   0.56750  1.0 1.0
   44    43    46    33  -0.07550 -1.0 2.0
   44    43    46    33   0.20000  1.0 3.0
   44    43    46    68   0.56750  1.0 1.0
   44    43    46    68  -0.07550 -1.0 2.0
   44    43    46    68   0.20000  1.0 3.0
   44    43    46    53   0.86500  1.0 1.0
   44    43    46    53  -0.17500 -1.0 2.0
   44    43    46    53   0.20800  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    51   -55    59   0.09700  1.0 1.0
   44    51   -55    59   0.15600 -1.0 2.0
   44    51   -55    59  -0.50800  1.0 3.0
   44    51    55    61   0.09850  1.0 1.0
   44    51    55    61   0.15250 -1.0 2.0
   44    51    55    61  -0.50650  1.0 3.0
   44    51    56    57   0.15000  1.0 3.0
   44    51    56    58   0.15000  1.0 3.0
   44    51    56    64   0.56750  1.0 1.0
   44    51    56    64  -0.07550 -1.0 2.0
   44    51    56    64   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    55   0.15000  1.0 3.0
   45    44    51    56   0.15000  1.0 3.0
   45    44    67    59   0.08050  1.0 3.0
   51    44   -67    59  -0.25900  1.0 1.0
   51    44   -67    59  -0.47000 -1.0 2.0
   51    44   -67    59   0.11750  1.0 3.0
   51    55    59    60  -0.64400  1.0 1.0
   51    55    59    60   0.26850 -1.0 2.0
   51    55   -59    67  -0.15000  1.0 1.0
   51    55   -59    67   0.89550 -1.0 2.0
   51    55   -59    67  -0.06900  1.0 3.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    63   7.00000 -1.0 2.0
   51    56    64    65   0.15000  1.0 3.0
   51    56    64    66   0.15000  1.0 3.0
   51    56    64    68   0.56750  1.0 1.0
   51    56    64    68  -0.07550 -1.0 2.0
   51    56    64    68   0.20000  1.0 3.0
   52    51    55    59   0.15000  1.0 3.0
   52    51    55    61   0.00000  1.0 1.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    64   0.15000  1.0 3.0
   55    51    56    57   0.15000  1.0 3.0
   55    51    56    58   0.15000  1.0 3.0
   55    51    56    64   0.34400  1.0 1.0
   55    51    56    64   0.09450 -1.0 2.0
   55    51    56    64   0.11100  1.0 3.0
   55    59   -67    44   2.00000 -1.0 2.0
   59    55    61    62   7.00000 -1.0 2.0
   59    55    61    63   7.00000 -1.0 2.0
   60    59    67    44   3.00000 -1.0 2.0
   67    44    51    52   0.23400  1.0 3.0
   67    44   -51    55   0.61850  1.0 1.0
   67    44   -51    55  -0.22750 -1.0 2.0
   67    44   -51    55   0.15300  1.0 3.0
   67    44    51    56   0.62750  1.0 1.0
   67    44    51    56  -0.30950 -1.0 2.0
   67    44    51    56   0.27300  1.0 3.0
   61    55    59    60   1.00000 -1.0 2.0
   61    55    59    67  -0.56150  1.0 1.0
   61    55    59    67   2.19150 -1.0 2.0
   56    51    55    59   0.09700  1.0 1.0
   56    51    55    59   0.15600 -1.0 2.0
   56    51    55    59  -0.50800  1.0 3.0
   56    51    55    61   0.09850  1.0 1.0
   56    51    55    61   0.15250 -1.0 2.0
   56    51    55    61  -0.50650  1.0 3.0
   56    64    68    69   0.15000  1.0 3.0
   56    64    68    46   0.56750  1.0 1.0
   56    64    68    46  -0.07550 -1.0 2.0
   56    64    68    46   0.20000  1.0 3.0
   56    64    68    70   0.56750  1.0 1.0
   56    64    68    70  -0.07550 -1.0 2.0
   56    64    68    70   0.20000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    68   0.15000  1.0 3.0
   58    56    64    65   0.15000  1.0 3.0
   58    56    64    66   0.15000  1.0 3.0
   58    56    64    68   0.15000  1.0 3.0
   64    68    46    33   0.56750  1.0 1.0
   64    68    46    33  -0.07550 -1.0 2.0
   64    68    46    33   0.20000  1.0 3.0
   64    68    46    43   0.56750  1.0 1.0
   64    68    46    43  -0.07550 -1.0 2.0
   64    68    46    43   0.20000  1.0 3.0
   64    68    46    53   0.86500  1.0 1.0
   64    68    46    53  -0.17500 -1.0 2.0
   64    68    46    53   0.20800  1.0 3.0
   64    68    70    71   0.15000  1.0 3.0
   64    68    70    72   0.15000  1.0 3.0
   64    68    70    73   0.62750  1.0 1.0
   64    68    70    73  -0.30950 -1.0 2.0
   64    68    70    73   0.27300  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    46   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   66    64    68    69   0.15000  1.0 3.0
   66    64    68    46   0.15000  1.0 3.0
   66    64    68    70   0.15000  1.0 3.0
   68    46    53    54  -0.11600  1.0 1.0
   68    46    53    54  -0.09450 -1.0 2.0
   68    46    53    54   0.21250  1.0 3.0
   68    70    73    74  -0.25900  1.0 1.0
   68    70    73    74  -0.47000 -1.0 2.0
   68    70    73    74   0.11750  1.0 3.0
   69    68    46    33   0.15000  1.0 3.0
   69    68    46    43   0.15000  1.0 3.0
   69    68    46    53   0.23400  1.0 3.0
   69    68    70    71   0.15000  1.0 3.0
   69    68    70    72   0.15000  1.0 3.0
   69    68    70    73   0.23400  1.0 3.0
   46    33    38    39   0.15000  1.0 3.0
   46    33    38    40   0.15000  1.0 3.0
   46    33   -38    41  -0.95700  1.0 1.0
   46    33   -38    41  -0.18200 -1.0 2.0
   46    33   -38    41   0.29450  1.0 3.0
   46    43    44    45   0.15000  1.0 3.0
   46    43    44    51   0.56750  1.0 1.0
   46    43    44    51  -0.07550 -1.0 2.0
   46    43    44    51   0.20000  1.0 3.0
   46    43    44    67   0.62750  1.0 1.0
   46    43    44    67  -0.30950 -1.0 2.0
   46    43    44    67   0.27300  1.0 3.0
   46    43    47    48   0.15000  1.0 3.0
   46    43    47    49   0.15000  1.0 3.0
   46    43    47    50   0.15000  1.0 3.0
   46    68    70    71   0.15000  1.0 3.0
   46    68    70    72   0.15000  1.0 3.0
   46    68    70    73   0.62750  1.0 1.0
   46    68    70    73  -0.30950 -1.0 2.0
   46    68    70    73   0.27300  1.0 3.0
   70    68    46    33   0.56750  1.0 1.0
   70    68    46    33  -0.07550 -1.0 2.0
   70    68    46    33   0.20000  1.0 3.0
   70    68    46    43   0.56750  1.0 1.0
   70    68    46    43  -0.07550 -1.0 2.0
   70    68    46    43   0.20000  1.0 3.0
   70    68    46    53   0.86500  1.0 1.0
   70    68    46    53  -0.17500 -1.0 2.0
   70    68    46    53   0.20800  1.0 3.0
   70    73    74    75   3.00000 -1.0 2.0
   70    73    74    76   1.63150  1.0 1.0
   70    73    74    76   2.92000 -1.0 2.0
   71    70    73    74   0.08050  1.0 3.0
   72    70    73    74   0.08050  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    44    67   0.62750  1.0 1.0
   47    43    44    67  -0.30950 -1.0 2.0
   47    43    44    67   0.27300  1.0 3.0
   47    43    46    33   0.56750  1.0 1.0
   47    43    46    33  -0.07550 -1.0 2.0
   47    43    46    33   0.20000  1.0 3.0
   47    43    46    68   0.56750  1.0 1.0
   47    43    46    68  -0.07550 -1.0 2.0
   47    43    46    68   0.20000  1.0 3.0
   47    43    46    53   0.86500  1.0 1.0
   47    43    46    53  -0.17500 -1.0 2.0
   47    43    46    53   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   51    59    55    61   1.10000 -1.0 2.0
   55    67    59    60  10.50000 -1.0 2.0
   62    63    61    55   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
END
