* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     485
    1     0 S   NP   _N1_     1    28.72833    95.17886   -22.27516
    2     1 S   H    _HN1     2     1.02783    97.35874   -98.75434
    3     1 S   H    _H1_     3     1.02954    82.59141     8.90832
    4     1 S   H    _H2_     4     1.02831    31.94967   149.03719
    5     1 S   CT   _CA1     5     1.50116   140.47528   122.16615
    6     5 S   HC   _HA1     6     1.09563   105.23615    74.08123
    7     5 S   CO3  _C1_     7     1.53836   112.40790   -46.28626
    8     7 S   O2Z  _O11     8     1.26382   114.98544   -42.09177
    9     7 S   O2Z  _O12     9     1.26232   114.98401   137.07640
   10     5 S   CT   _CB1    10     1.53087   107.43525  -167.77837
   11    10 S   HC   HB11    11     1.09828   109.58878   -48.26015
   12    10 S   HC   HB12    12     1.09817   110.33582    68.39848
   13    10 S   CT   _CG1    13     1.52986   112.57006  -169.18879
   14    13 S   HC   HG11    14     1.09591   110.59492   -62.29820
   15    13 S   HC   HG12    15     1.09655   109.87048    56.95237
   16    13 S   C    _CD1    16     1.51792   112.25015   177.57384
   17    16 S   O    _OE1    17     1.22728   123.29477     4.27663
   18    16 S   N    _N2_    18     1.38638   111.63690  -176.30939
   19    18 S   H    _HN2    19     1.01586   118.99409     3.01941
   20    18 S   CT1  _CA2    20     1.46251   123.37876  -179.02642
   21    20 S   HC   _HA2    21     1.09731   109.35653    -2.83497
   22    20 S   C    _C2_    22     1.53395   108.73734  -118.52852
   23    22 S   O    _O2_    23     1.23045   122.27266  -148.63957
   24    20 S   CT   _CB2    32     1.53388   111.33477   118.96913
   25    24 S   HC   HB21    33     1.09596   109.73382    57.34776
   26    24 S   HC   HB22    34     1.09475   110.51560   176.56065
   27    22 S   N    _N3_    24     1.38328   113.60111    38.83221
   28    27 S   H    _HN3    25     1.01620   119.52438    -3.55380
   29    24 S   S    _SG2    35     1.82773   111.27364   -63.17443
   30    27 S   CT   _CA3    26     1.45288   123.16524   177.00219
   31    30 S   HC   HA31    27     1.09551   107.51563   -64.17922
   32    30 S   HC   HA32    28     1.09558   107.96647    52.23980
   33    29 S   CT   _C17    36     1.85668    99.99936   173.40144
   34    33 S   HC   _H3_    37     1.09925   104.03974   -20.82943
   35    30 S   CO3  _C3_    29     1.52945   114.11402   174.22436
   36    35 S   O2Z  _O31    30     1.26370   116.05937    -0.98039
   37    35 S   O2Z  _O32    31     1.26427   114.41483   179.08764
   38    33 S   CT   _C12    38     1.54576   108.83926    89.68217
   39    38 S   HC   _H35    39     1.09957   108.78891   -48.15449
   40    38 S   HC   _H36    40     1.09647   107.94491  -159.33024
   41    33 S   CT   _C19    63     1.59252   112.58217  -133.52028
   42    38 S   CT   _C10    41     1.53667   119.59641    75.02157
   43    42 S   HC   _H31    42     1.09661   109.07748   -65.61261
   44    42 S   HC   _H32    43     1.09744   108.40039   179.27100
   45    41 S   CO   _C18    64     1.56622   111.72146  -173.23821
   46    45 S   HC   _H43    65     1.09647   110.30881   -28.60918
   47    41 S   OH   _O25    72     1.46330   102.41526    75.28055
   48    47 S   HO   _H52    73     0.97304   107.88176   -57.37398
   49    42 S   CM   _C5_    44     1.50363   113.67066    58.94063
   50    45 S   OS   _O23    66     1.41786   115.42396    97.40246
   51    45 S   OH   _O24    70     1.43457   108.91704  -143.89188
   52    51 S   HO   _H51    71     0.97138   106.86441   154.98989
   53    49 S   CM   _C4_    45     1.34959   120.66364  -127.31854
   54    53 S   HC   _H28    46     1.08855   119.20904    -6.41386
   55    49 S   CT   _C11    67     1.50308   116.14844    46.37597
   56    55 S   HC   _H33    68     1.09402   114.14527    13.95991
   57    55 S   HC   _H34    69     1.09690   108.59075   130.54450
   58    53 S   CT   _C14    47     1.50118   124.00630   162.11406
   59    58 S   HC   _H39    48     1.09636   111.50943    20.23196
   60    58 S   CT   _C15    49     1.53344   113.05576  -105.85756
   61    60 S   HC   _H40    50     1.10193   110.03362   -51.93276
   62    60 S   CM   _C6_    51     1.49945    96.53050  -160.61958
   63    60 S   CT   _C16    58     1.55653   116.31530    70.78434
   64    63 S   HC   _H41    59     1.09202   110.14851    57.90498
   65    62 S   CO4  _C7_    52     1.48729   106.92170    33.30945
   66    65 S   O    _O20    53     1.21709   127.25149   163.60882
   67    62 S   CM   _C8_    55     1.33520   132.30067  -143.65207
   68    67 S   HC   _H29    56     1.08279   121.96329    -1.40778
   69    67 S   HC   _H30    57     1.08571   121.39325   178.34058
   70    63 S   CT   _C13    60     1.55725   111.64603   -70.13878
   71    70 S   HC   _H37    61     1.10043   106.82973  -113.76919
   72    70 S   HC   _H38    62     1.09038   108.40783    -3.69756
   73    63 S   OS   _O26    74     1.45836   105.62375   175.54997
   74    58 S   OS   _O22    54     1.43677   110.46856   137.51132
   75    73 S   CO4  _C9_    75     1.36493   118.06358  -153.89045
   76    75 S   O    _O21    76     1.22255   125.92675     3.12437
   77    75 S   CT   _C22    77     1.51785   109.26483  -176.20079
   78    77 S   HC   _H50    78     1.09712   107.95615   -41.29845
   79    77 S   CT   _C20    79     1.52427   109.58266    78.27003
   80    79 S   HC   _H44    80     1.09578   111.28100    59.79268
   81    79 S   HC   _H45    81     1.09544   111.04399   -59.70921
   82    79 S   HC   _H46    82     1.09477   110.86615  -179.69353
   83    77 S   CT   _C21    83     1.52615   110.76632  -158.91415
   84    83 S   HC   _H47    84     1.09572   111.48806   -63.06301
   85    83 S   HC   _H48    85     1.09498   110.79498   176.57961
   86    83 S   HC   _H49    86     1.09550   110.79034    56.70299
  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
  19   8   2   1   1  12   6   5  16  10   4   3  14   6   7   1
  10   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5
   5   2   3   1   1   4   2   1   6   1  11   4   9   8   7   3
   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    70    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    49    63    70    71    72    41    45    46    50    51    47    48  
   38    39    40    42    70    41    45    47  
   36    37  
   37  
    0  
   39    40    42    43    44    49    53    70    41    45    55    47  
   40    42    43    44    49    41  
   42    43    44    49    41  
   45    46    50    55    51    52    47    48    73    42    60    63    64    70    71    72  
   43    44    49    53    54    58    50    55    56    57  
   44    49    53    55  
   49    53    55  
   46    50    55    56    57    51    52    47    48    49    63    70    71    72  
   50    55    51    52    47    70  
   48    50    51    63    70    71    72  
   70  
   53    54    58    59    60    74    50    55    56    57  
   55    56    57    51    52    53    70  
   52    55    70  
    0  
   54    58    59    60    61    62    65    74    63    55    56    57  
   58    59    60    74    55  
   56    57    58  
   57  
    0  
   59    60    61    62    65    66    74    67    63    64    70    73  
   60    61    62    65    74    63  
   61    62    65    66    74    67    68    69    63    64    70    71    72    73    75  
   62    65    74    67    63    64    70    73  
   65    66    74    67    68    69    63    64    70    73  
   64    70    71    72    73    75    76    77    65    67    74  
   70    71    72    73    75  
   66    74    67    68    69  
   74    67  
   68    69    74  
   69  
    0  
   71    72    73    75  
   72    73  
   73  
   75    76    77    78    79    83  
    0  
   76    77    78    79    80    81    82    83    84    85    86  
   77    78    79    83  
   78    79    80    81    82    83    84    85    86  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   317.000  1.510
   49    53   549.000  1.340
   49    55   317.000  1.510
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    41   268.000  1.529
   41    45   250.000  1.527
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    50   320.000  1.380
   45    51   380.000  1.407
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   51    52   553.000  0.945
   47    48   553.000  0.945
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    70    58.35000  112.70000
   33    41    45    75.00000  109.43000
   33    41    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    49    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    49    53    70.00000  124.00000
   42    49    55    65.00000  117.92700
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
   49    53    54    35.00000  120.00000
   49    53    58    70.00000  124.00000
   49    55    50    85.00000  110.90400
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    60    70.00000  112.02700
   53    58    74    85.00000  110.90400
   58    53    54    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    74    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    70    58.35000  112.70000
   60    63    73    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   74    58    59    35.00000  109.50000
   74    58    60    50.00000  109.50000
   74    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    41    58.35000  112.70000
   63    73    75    83.00000  116.90000
   70    63    64    37.50000  110.70000
   70    41    45    75.00000  109.43000
   70    41    47    50.00000  109.50000
   72    70    71    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    70    71    37.50000  110.70000
   41    70    72    37.50000  110.70000
   41    45    46    45.00000  112.01100
   41    45    50    90.00000  108.56700
   41    45    51    90.00000  110.19100
   41    47    48    55.00000  108.50000
   45    50    55    60.00000  109.50000
   45    51    52    70.00000  107.92000
   50    45    46    35.00000  109.50000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   55    49    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   51    45    46    60.00000  108.02500
   51    45    50   110.00000  112.08000
   47    41    45    90.00000  111.58700
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    63.00000  111.10000
   75    77    83    63.00000  111.10000
   77    75    76    80.00000  120.40000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    37.50000  110.70000
   79    77    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    70   0.44750  1.0 1.0
   29    33    41    70  -0.17800 -1.0 2.0
   29    33    41    70   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    49   0.34400  1.0 1.0
   33    38    42    49   0.09450 -1.0 2.0
   33    38    42    49   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    50   0.62750  1.0 1.0
   33    41    45    50  -0.30950 -1.0 2.0
   33    41    45    50   0.27300  1.0 3.0
   33    41    45    51   0.86500  1.0 1.0
   33    41    45    51  -0.17500 -1.0 2.0
   33    41    45    51   0.20800  1.0 3.0
   33    41    47    48  -0.11600  1.0 1.0
   33    41    47    48  -0.09450 -1.0 2.0
   33    41    47    48   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    42   0.15000  1.0 3.0
   34    33    41    70   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    47   0.23400  1.0 3.0
   38    33    41    70   0.56750  1.0 1.0
   38    33    41    70  -0.07550 -1.0 2.0
   38    33    41    70   0.20000  1.0 3.0
   38    33    41    45   3.97050  1.0 1.0
   38    33    41    47   0.86500  1.0 1.0
   38    33    41    47  -0.17500 -1.0 2.0
   38    33    41    47   0.20800  1.0 3.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    49    55   0.46850  1.0 1.0
   38    42    49    55   0.08550 -1.0 2.0
   38    42    49    55   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    49   0.15000  1.0 3.0
   42    49    53    54   7.00000 -1.0 2.0
   42    49    53    58   7.00000 -1.0 2.0
   42    49    55    50   0.09700  1.0 1.0
   42    49    55    50   0.15600 -1.0 2.0
   42    49    55    50  -0.50800  1.0 3.0
   42    49    55    56   0.34800  1.0 3.0
   42    49    55    57   0.34800  1.0 3.0
   43    42    49    53   0.00000  1.0 1.0
   43    42    49    55   0.34800  1.0 3.0
   44    42    49    53   0.00000  1.0 1.0
   44    42    49    55   0.34800  1.0 3.0
   49    53    58    59   0.00000  1.0 1.0
   49    53    58    60   0.09850  1.0 1.0
   49    53    58    60   0.15250 -1.0 2.0
   49    53    58    60  -0.50650  1.0 3.0
   49    53    58    74   0.39000  1.0 1.0
   49    53    58    74  -0.05800 -1.0 2.0
   49    53    58    74  -0.55150  1.0 3.0
   53    49    55    50   0.39000  1.0 1.0
   53    49    55    50  -0.05800 -1.0 2.0
   53    49    55    50  -0.55150  1.0 3.0
   53    49    55    56   0.00000  1.0 1.0
   53    49    55    57   0.00000  1.0 1.0
   53    58    60    61   0.15000  1.0 3.0
   53    58    60    62   0.31000  1.0 1.0
   53    58    60    62   0.14700 -1.0 2.0
   53    58    60    62   0.07550  1.0 3.0
   53    58    60    63   0.34400  1.0 1.0
   53    58    60    63   0.09450 -1.0 2.0
   53    58    60    63   0.11100  1.0 3.0
   53    58    74    65  -0.82050  1.0 1.0
   53    58    74    65   0.00600 -1.0 2.0
   53    58    74    65   0.04400  1.0 3.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    74   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    70   0.56750  1.0 1.0
   58    60    63    70  -0.07550 -1.0 2.0
   58    60    63    70   0.20000  1.0 3.0
   58    60    63    73   0.62750  1.0 1.0
   58    60    63    73  -0.30950 -1.0 2.0
   58    60    63    73   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    74    65   0.08050  1.0 3.0
   60    58   -74    65  -0.25900  1.0 1.0
   60    58   -74    65  -0.47000 -1.0 2.0
   60    58   -74    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    74  -0.15000  1.0 1.0
   60    62   -65    74   0.89550 -1.0 2.0
   60    62   -65    74  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    41   0.56750  1.0 1.0
   60    63    70    41  -0.07550 -1.0 2.0
   60    63    70    41   0.20000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    70   0.34400  1.0 1.0
   62    60    63    70   0.09450 -1.0 2.0
   62    60    63    70   0.11100  1.0 3.0
   62    60    63    73   0.61850  1.0 1.0
   62    60    63    73  -0.22750 -1.0 2.0
   62    60    63    73   0.15300  1.0 3.0
   62    65   -74    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    74    58   3.00000 -1.0 2.0
   74    58    60    61   0.23400  1.0 3.0
   74    58   -60    62   0.61850  1.0 1.0
   74    58   -60    62  -0.22750 -1.0 2.0
   74    58   -60    62   0.15300  1.0 3.0
   74    58    60    63   0.62750  1.0 1.0
   74    58    60    63  -0.30950 -1.0 2.0
   74    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    41    33   0.56750  1.0 1.0
   63    70    41    33  -0.07550 -1.0 2.0
   63    70    41    33   0.20000  1.0 3.0
   63    70    41    45   3.97050  1.0 1.0
   63    70    41    47   0.86500  1.0 1.0
   63    70    41    47  -0.17500 -1.0 2.0
   63    70    41    47   0.20800  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    77   1.63150  1.0 1.0
   63    73    75    77   2.92000 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    73    75   0.08050  1.0 3.0
   70    63    73    75  -0.25900  1.0 1.0
   70    63    73    75  -0.47000 -1.0 2.0
   70    63    73    75   0.11750  1.0 3.0
   70    41    45    46   0.15000  1.0 3.0
   70    41    45    50   0.62750  1.0 1.0
   70    41    45    50  -0.30950 -1.0 2.0
   70    41    45    50   0.27300  1.0 3.0
   70    41    45    51   0.86500  1.0 1.0
   70    41    45    51  -0.17500 -1.0 2.0
   70    41    45    51   0.20800  1.0 3.0
   70    41    47    48  -0.11600  1.0 1.0
   70    41    47    48  -0.09450 -1.0 2.0
   70    41    47    48   0.21250  1.0 3.0
   71    70    41    33   0.15000  1.0 3.0
   71    70    41    45   0.15000  1.0 3.0
   71    70    41    47   0.23400  1.0 3.0
   72    70    41    33   0.15000  1.0 3.0
   72    70    41    45   0.15000  1.0 3.0
   72    70    41    47   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    45    50    55   0.06250  1.0 1.0
   41    45    50    55  -0.01100 -1.0 2.0
   41    45    50    55   0.28050  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   0.21250  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    50    55    49  -0.77900  1.0 1.0
   45    50    55    49  -0.36900 -1.0 2.0
   45    50    55    49   0.40400  1.0 3.0
   45    50    55    56   0.37050  1.0 3.0
   45    50    55    57   0.37050  1.0 3.0
   46    45    50    55   0.37050  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   50    45    51    52  -0.50000  1.0 1.0
   50    45    51    52  -0.73950 -1.0 2.0
   50    45    51    52   0.17150  1.0 3.0
   55    49    53    54   7.00000 -1.0 2.0
   55    49    53    58   7.00000 -1.0 2.0
   51    45    50    55  -0.70900  1.0 1.0
   51    45    50    55  -1.18000 -1.0 2.0
   51    45    50    55   0.91650  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    50   3.69350  1.0 1.0
   47    41    45    50  -1.82950 -1.0 2.0
   47    41    45    51   3.75450  1.0 1.0
   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    41   0.62750  1.0 1.0
   73    63    70    41  -0.30950 -1.0 2.0
   73    63    70    41   0.27300  1.0 3.0
   73    75    77    78   0.00000  1.0 1.0
   73    75    77    79   0.36750  1.0 3.0
   73    75    77    83   0.36750  1.0 3.0
   75    77    79    80  -0.11250  1.0 3.0
   75    77    79    81  -0.11250  1.0 3.0
   75    77    79    82  -0.11250  1.0 3.0
   75    77    83    84  -0.11250  1.0 3.0
   75    77    83    85  -0.11250  1.0 3.0
   75    77    83    86  -0.11250  1.0 3.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.30150 -1.0 2.0
   76    75    77    83   0.30150 -1.0 2.0
   78    77    79    80   0.15000  1.0 3.0
   78    77    79    81   0.15000  1.0 3.0
   78    77    79    82   0.15000  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    86   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    86   0.15000  1.0 3.0
   83    77    79    80   0.15000  1.0 3.0
   83    77    79    81   0.15000  1.0 3.0
   83    77    79    82   0.15000  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
   42    55    49    53   1.10000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
END
