* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    161    250     475
    1     0 S   NP   _N1_     1    29.21980    98.40388   -20.24694
    2     1 S   H    _HN1     2     1.02824    55.80005   159.20147
    3     1 S   H    _H1_     3     1.02776    88.31678   -87.66830
    4     1 S   H    _H2_     4     1.02943    64.57451    23.71096
    5     1 S   CT   _CA1     5     1.50203   158.88587   104.36430
    6     5 S   HC   _HA1     6     1.09564   105.07933   105.57292
    7     5 S   CO3  _C1_     7     1.53869   112.64461   -14.34308
    8     7 S   O2Z  _O11     8     1.26382   114.99379   -32.39277
    9     7 S   O2Z  _O12     9     1.26315   115.17664   146.86613
   10     5 S   CT   _CB1    10     1.53173   107.36468  -136.31091
   11    10 S   HC   HB11    11     1.09823   109.47337   -46.19774
   12    10 S   HC   HB12    12     1.09805   110.39665    70.53168
   13    10 S   CT   _CG1    13     1.52903   112.59745  -167.07994
   14    13 S   HC   HG11    14     1.09422   110.71226   -66.14097
   15    13 S   HC   HG12    15     1.09688   109.71152    52.92947
   16    13 S   C    _CD1    16     1.51807   112.66496   173.28061
   17    16 S   O    _OE1    17     1.22677   123.49496     4.17687
   18    16 S   N    _N2_    18     1.38612   111.30552  -175.41918
   19    18 S   H    _HN2    19     1.01585   118.65974     0.86071
   20    18 S   CT1  _CA2    20     1.46215   123.84581   175.76132
   21    20 S   HC   _HA2    21     1.09722   109.56670     2.03317
   22    20 S   C    _C2_    22     1.53606   108.27606  -113.35944
   23    22 S   O    _O2_    23     1.23052   122.35721  -147.44592
   24    20 S   CT   _CB2    32     1.53175   110.94889   124.58129
   25    24 S   HC   HB21    33     1.09587   109.79749    50.07369
   26    24 S   HC   HB22    34     1.09483   111.08889   168.93496
   27    22 S   N    _N3_    24     1.38352   113.67015    40.01735
   28    27 S   H    _HN3    25     1.01585   119.57520    -3.25636
   29    24 S   S    _SG2    35     1.82839   111.50829   -72.12941
   30    27 S   CT   _CA3    26     1.45286   123.23150   177.18276
   31    30 S   HC   HA31    27     1.09549   107.48664   -65.14726
   32    30 S   HC   HA32    28     1.09557   108.01525    51.29995
   33    29 S   CT   _C14    36     1.84500    99.28893   146.88028
   34    33 S   HC   _H4_    37     1.09525   107.13342    34.87151
   35    30 S   CO3  _C3_    29     1.52966   114.06983   173.30069
   36    35 S   O2Z  _O31    30     1.26382   116.06413    -1.15860
   37    35 S   O2Z  _O32    31     1.26430   114.41069   178.90998
   38    33 S   CT   _C13    38     1.53089   110.17848   -87.14631
   39    38 S   HC   _H17    39     1.09646   110.00923   156.58566
   40    38 S   HC   _H18    40     1.09450   111.97504    36.50027
   41    38 S   CM   _C12    41     1.52092   104.55427   -86.63814
   42    41 S   CM   _C11    42     1.35195   123.75807   159.33188
   43    41 S   CT   _C16    56     1.52721   108.93106   -16.35705
   44    43 S   HC   _H5_    57     1.09986   108.30151   104.61055
   45    42 S   CT   _C10    43     1.51983   124.66285  -173.12434
   46    45 S   HC   _H15    44     1.09795   108.44360    72.48439
   47    45 S   HC   _H16    45     1.09842   108.09566  -174.19188
   48    33 S   CT   _C15    58     1.54525   113.96811   158.02675
   49    42 S   CT   _C23    82     1.51381   122.37355     4.15506
   50    49 S   HC   _H25    83     1.09576   109.99204   128.57629
   51    49 S   HC   _H26    84     1.09236   113.79064     8.51145
   52    45 S   CT   _C9_    46     1.53588   118.09202   -53.37121
   53    52 S   HC   _H3_    47     1.09823   107.73912  -169.86886
   54    48 S   CT   _C22    59     1.53983   109.85785  -158.82126
   55    54 S   HC   _H21    60     1.09661   110.35178    55.93698
   56    54 S   HC   _H22    61     1.09393   112.75967   -64.94562
   57    54 S   HC   _H23    62     1.09480   111.52342   172.75909
   58    48 S   OH   _O37    63     1.42572   111.59543   -40.39616
   59    58 S   HO   _H24    64     0.97241   107.89267   -53.21965
   60    49 S   OH   _O38    85     1.41978   108.51795  -112.37677
   61    60 S   HO   _H27    86     0.97422   107.74514  -178.16048
   62    52 S   CT   _C18    48     1.52754   111.77491    71.54438
   63    62 S   HC   _H7_    49     1.09995   108.89803    51.51138
   64    52 S   OS   _O34    68     1.44289   110.05898   -50.84589
   65    62 S   CM   _C19    50     1.49469   117.87960   172.33994
   66    64 S   CO4  _C8_    69     1.35762   117.69321   -81.70085
   67    66 S   O    _O33    70     1.22081   127.03766    -1.40263
   68    65 S   CO4  _C21    51     1.48077   107.20042   154.13449
   69    68 S   O    _O35    52     1.21685   127.33172   166.33132
   70    65 S   CM   _C20    65     1.33531   131.02150   -24.08574
   71    70 S   HC   _H19    66     1.08427   121.43376    -1.16332
   72    70 S   HC   _H20    67     1.08544   121.49565   178.96033
   73    66 S   CM   _C6_    71     1.48414   108.36184   178.94798
   74    68 S   OS   _O36    53     1.36571   106.44423   -12.21984
   75    73 S   CM   _C5_    72     1.34460   120.43698  -133.90066
   76    75 S   HC   _H11    73     1.08922   117.82403  -177.89932
   77    73 S   CT   _C7_    78     1.49994   116.88536    48.07902
   78    77 S   HC   _H12    79     1.09491   110.69214   -70.46316
   79    77 S   HC   _H13    80     1.09516   110.42399    49.73219
   80    77 S   HC   _H14    81     1.09519   111.93939   169.39093
   81    62 S   CT   _C17    54     1.52039   114.71982   -72.29328
   82    81 S   HC   _H6_    55     1.09925   111.64419   -48.85576
   83    75 S   CT   _C4_    74     1.49597   128.17252     3.83788
   84    83 S   HC   _H8_    75     1.09404   109.94618  -110.31639
   85    83 S   HC   _H9_    76     1.09501   109.34943   131.15717
   86    83 S   HC   _H10    77     1.09241   113.55093    11.71418
  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  12   5   4  18  16  18   7  14   6   5  10
   5   3   2  13   6   6   3   2   1   2   1   1   1  12   7   7
   8   9   3   7   3   4   1   1  10   2   9   5   4   2   1   1
   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    48    54    58  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    81    43    44    48    54    55    56    57    58    59  
   38    39    40    41    43    48    54    58  
   36    37  
   37  
    0  
   39    40    41    42    45    81    43    44    48    54    58    49  
   40    41    42    43    48  
   41    42    43    48  
   42    45    46    47    52    62    74    81    82    43    44    48    54    58    49    50    51    60  
   45    46    47    52    53    62    81    43    44    48    64    49    50    51    60    61  
   44    48    54    55    56    57    58    59    49    45    52    62    63    65    68    74    81    82  
   48    54    58    62    74    81    82  
   46    47    52    53    62    63    65    81    64    66    49    50    51    60  
   47    52    53    62    64    49  
   52    53    62    64    49  
   54    55    56    57    58    59    62    74    81    82  
   50    51    60    61    52  
   51    60    61  
   60    61  
   53    62    63    65    68    74    81    82    70    64    66    67    73  
   62    63    65    81    64    66  
   55    56    57    58    59    81  
   56    57    58  
   57    58  
   58  
   59    81  
    0  
   61  
    0  
   63    65    68    69    74    81    82    70    71    72    64    66  
   65    68    74    81    82    70    64  
   66    67    73    75    77    65    81  
   68    69    74    81    82    70    71    72  
   67    73    75    76    83    77    78    79    80  
   73    75    77  
   69    74    81    82    70    71    72  
   74    81    70  
   71    72    74    81  
   72  
    0  
   75    76    83    84    85    86    77    78    79    80  
   81    82  
   76    83    84    85    86    77    78    79    80  
   83    84    85    86    77  
   78    79    80    83  
   79    80  
   80  
    0  
   82  
    0  
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.030000   1.3810   1.2100   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    48   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   549.000  1.340
   41    43   317.000  1.510
   42    45   317.000  1.510
   42    49   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    53   340.000  1.090
   52    62   268.000  1.529
   52    64   320.000  1.410
   62    63   340.000  1.090
   62    65   317.000  1.510
   62    81   268.000  1.529
   65    68   320.000  1.462
   65    70   549.000  1.340
   68    69   570.000  1.229
   68    74   214.000  1.327
   74    81   320.000  1.410
   81    82   340.000  1.090
   81    43   268.000  1.529
   43    44   340.000  1.090
   43    48   268.000  1.529
   48    54   268.000  1.529
   48    58   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   553.000  0.945
   70    71   340.000  1.080
   70    72   340.000  1.080
   64    66   214.000  1.327
   66    67   570.000  1.229
   66    73   320.000  1.462
   73    75   549.000  1.340
   73    77   317.000  1.510
   75    76   340.000  1.080
   75    83   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   320.000  1.410
   60    61   553.000  0.945
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    48    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.02700
   33    48    43    58.35000  112.70000
   33    48    54    58.35000  112.70000
   33    48    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  124.00000
   38    41    43    65.00000  117.92700
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    42    45    70.00000  124.00000
   41    42    49    70.00000  124.00000
   41    43    81    70.00000  112.02700
   41    43    44    35.00000  109.50000
   41    43    48    70.00000  112.02700
   42    45    46    35.00000  109.50000
   42    45    47    35.00000  109.50000
   42    45    52    70.00000  112.02700
   42    49    50    35.00000  109.50000
   42    49    51    35.00000  109.50000
   42    49    60    90.00000  110.39200
   45    52    53    37.50000  110.70000
   45    52    62    58.35000  112.70000
   45    52    64    50.00000  109.50000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    62    63    37.50000  110.70000
   52    62    65    70.00000  112.02700
   52    62    81    58.35000  112.70000
   52    64    66    83.00000  116.90000
   62    52    53    37.50000  110.70000
   62    65    68    65.00000  116.34900
   62    65    70    70.00000  124.00000
   62    81    74    50.00000  109.50000
   62    81    82    37.50000  110.70000
   62    81    43    58.35000  112.70000
   65    62    63    35.00000  109.50000
   65    68    69    80.00000  123.72100
   65    68    74    90.00000  111.29400
   65    70    71    35.00000  120.00000
   65    70    72    35.00000  120.00000
   68    74    81    83.00000  116.90000
   74    68    69    83.00000  123.40000
   74    81    82    35.00000  109.50000
   74    81    43    50.00000  109.50000
   81    62    63    37.50000  110.70000
   81    62    65    70.00000  112.02700
   81    43    44    37.50000  110.70000
   81    43    48    58.35000  112.70000
   43    41    42    70.00000  124.00000
   43    81    82    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    58    50.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    58.35000  112.70000
   48    43    44    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   48    58    59    55.00000  108.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    48    54    50.00000  109.50000
   70    65    68    65.00000  118.96000
   72    70    71    35.00000  117.00000
   64    52    53    35.00000  109.50000
   64    52    62    50.00000  109.50000
   64    66    67    83.00000  123.40000
   64    66    73    90.00000  111.29400
   66    73    75    65.00000  118.96000
   66    73    77    65.00000  116.34900
   73    66    67    80.00000  123.72100
   73    75    76    35.00000  120.00000
   73    75    83    70.00000  124.00000
   73    77    78    35.00000  109.50000
   73    77    79    35.00000  109.50000
   73    77    80    35.00000  109.50000
   75    83    84    35.00000  109.50000
   75    83    85    35.00000  109.50000
   75    83    86    35.00000  109.50000
   83    75    76    35.00000  117.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   77    73    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   49    42    45    65.00000  117.92700
   49    60    61    55.00000  108.50000
   51    49    50    33.00000  107.80000
   60    49    50    35.00000  109.50000
   60    49    51    35.00000  109.50000
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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    48    43   0.44750  1.0 1.0
   29    33    48    43  -0.17800 -1.0 2.0
   29    33    48    43   0.20200  1.0 3.0
   29    33    48    54   0.44750  1.0 1.0
   29    33    48    54  -0.17800 -1.0 2.0
   29    33    48    54   0.20200  1.0 3.0
   29    33    48    58   0.56750  1.0 1.0
   29    33    48    58  -0.07550 -1.0 2.0
   29    33    48    58   0.20000  1.0 3.0
   33    38    41    42   0.09850  1.0 1.0
   33    38    41    42   0.15250 -1.0 2.0
   33    38    41    42  -0.50650  1.0 3.0
   33    38   -41    43   0.46850  1.0 1.0
   33    38   -41    43   0.08550 -1.0 2.0
   33    38   -41    43   0.09800  1.0 3.0
   33    48    54    55   0.15000  1.0 3.0
   33    48    54    56   0.15000  1.0 3.0
   33    48    54    57   0.15000  1.0 3.0
   33    48    58    59  -0.11600  1.0 1.0
   33    48    58    59  -0.09450 -1.0 2.0
   33    48    58    59   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   0.15000  1.0 3.0
   34    33    48    43   0.15000  1.0 3.0
   34    33    48    54   0.15000  1.0 3.0
   34    33    48    58   0.23400  1.0 3.0
   38    33   -48    43   0.56750  1.0 1.0
   38    33   -48    43  -0.07550 -1.0 2.0
   38    33   -48    43   0.20000  1.0 3.0
   38    33    48    54   0.56750  1.0 1.0
   38    33    48    54  -0.07550 -1.0 2.0
   38    33    48    54   0.20000  1.0 3.0
   38    33    48    58   0.86500  1.0 1.0
   38    33    48    58  -0.17500 -1.0 2.0
   38    33    48    58   0.20800  1.0 3.0
   38    41    42    45   7.00000 -1.0 2.0
   38    41    42    49   7.00000 -1.0 2.0
   38    41    43    81   0.46850  1.0 1.0
   38    41    43    81   0.08550 -1.0 2.0
   38    41    43    81   0.09800  1.0 3.0
   38    41    43    44   0.34800  1.0 3.0
   38    41   -43    48   0.46850  1.0 1.0
   38    41   -43    48   0.08550 -1.0 2.0
   38    41   -43    48   0.09800  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.34800  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.34800  1.0 3.0
   41    42    45    46   0.00000  1.0 1.0
   41    42    45    47   0.00000  1.0 1.0
   41    42    45    52   0.09850  1.0 1.0
   41    42    45    52   0.15250 -1.0 2.0
   41    42    45    52  -0.50650  1.0 3.0
   41    42    49    50   0.00000  1.0 1.0
   41    42    49    51   0.00000  1.0 1.0
   41    42    49    60   0.67800  1.0 1.0
   41    42    49    60   0.47050 -1.0 2.0
   41    42    49    60  -0.62500  1.0 3.0
   41    43   -48    33   0.34400  1.0 1.0
   41    43   -48    33   0.09450 -1.0 2.0
   41    43   -48    33   0.11100  1.0 3.0
   41    43    48    54   0.34400  1.0 1.0
   41    43    48    54   0.09450 -1.0 2.0
   41    43    48    54   0.11100  1.0 3.0
   41    43    48    58   1.05650  1.0 1.0
   41    43    48    58   0.15600 -1.0 2.0
   41    43    48    58   0.53150  1.0 3.0
   42    41    43    81   0.09850  1.0 1.0
   42    41    43    81   0.15250 -1.0 2.0
   42    41    43    81  -0.50650  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    48   0.09850  1.0 1.0
   42    41    43    48   0.15250 -1.0 2.0
   42    41    43    48  -0.50650  1.0 3.0
   42    45    52    53   0.15000  1.0 3.0
   42    45    52    62   0.34400  1.0 1.0
   42    45    52    62   0.09450 -1.0 2.0
   42    45    52    62   0.11100  1.0 3.0
   42    45    52    64   0.61850  1.0 1.0
   42    45    52    64  -0.22750 -1.0 2.0
   42    45    52    64   0.15300  1.0 3.0
   42    49    60    61  -0.07800  1.0 1.0
   42    49    60    61  -0.21500 -1.0 2.0
   42    49    60    61  -0.03150  1.0 3.0
   45    42    49    50   0.34800  1.0 3.0
   45    42    49    51   0.34800  1.0 3.0
   45    42    49    60   0.18000  1.0 1.0
   45    42    49    60   0.16450 -1.0 2.0
   45    42    49    60   0.04450  1.0 3.0
   45    52    62    63   0.15000  1.0 3.0
   45    52    62    65   0.34400  1.0 1.0
   45    52    62    65   0.09450 -1.0 2.0
   45    52    62    65   0.11100  1.0 3.0
   45    52    62    81   0.56750  1.0 1.0
   45    52    62    81  -0.07550 -1.0 2.0
   45    52    62    81   0.20000  1.0 3.0
   45    52    64    66  -0.25900  1.0 1.0
   45    52    64    66  -0.47000 -1.0 2.0
   45    52    64    66   0.11750  1.0 3.0
   46    45    52    53   0.15000  1.0 3.0
   46    45    52    62   0.15000  1.0 3.0
   46    45    52    64   0.23400  1.0 3.0
   47    45    52    53   0.15000  1.0 3.0
   47    45    52    62   0.15000  1.0 3.0
   47    45    52    64   0.23400  1.0 3.0
   52    62    65    68   0.09700  1.0 1.0
   52    62    65    68   0.15600 -1.0 2.0
   52    62    65    68  -0.50800  1.0 3.0
   52    62    65    70   0.09850  1.0 1.0
   52    62    65    70   0.15250 -1.0 2.0
   52    62    65    70  -0.50650  1.0 3.0
   52    62    81    74   0.62750  1.0 1.0
   52    62    81    74  -0.30950 -1.0 2.0
   52    62    81    74   0.27300  1.0 3.0
   52    62    81    82   0.15000  1.0 3.0
   52    62    81    43   0.56750  1.0 1.0
   52    62    81    43  -0.07550 -1.0 2.0
   52    62    81    43   0.20000  1.0 3.0
   52    64    66    67   3.00000 -1.0 2.0
   52    64    66    73   2.00000 -1.0 2.0
   53    52    62    63   0.15000  1.0 3.0
   53    52    62    65   0.15000  1.0 3.0
   53    52    62    81   0.15000  1.0 3.0
   53    52    64    66   0.08050  1.0 3.0
   62    52    64    66  -0.25900  1.0 1.0
   62    52    64    66  -0.47000 -1.0 2.0
   62    52    64    66   0.11750  1.0 3.0
   62    65    68    69  -0.64400  1.0 1.0
   62    65    68    69   0.26850 -1.0 2.0
   62    65   -68    74  -0.15000  1.0 1.0
   62    65   -68    74   0.89550 -1.0 2.0
   62    65   -68    74  -0.06900  1.0 3.0
   62    65    70    71   7.00000 -1.0 2.0
   62    65    70    72   7.00000 -1.0 2.0
   62    81    43    41   0.34400  1.0 1.0
   62    81    43    41   0.09450 -1.0 2.0
   62    81    43    41   0.11100  1.0 3.0
   62    81    43    44   0.15000  1.0 3.0
   62    81    43    48   0.56750  1.0 1.0
   62    81    43    48  -0.07550 -1.0 2.0
   62    81    43    48   0.20000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    65    70   0.00000  1.0 1.0
   63    62    81    74   0.23400  1.0 3.0
   63    62    81    82   0.15000  1.0 3.0
   63    62    81    43   0.15000  1.0 3.0
   65    62   -81    74   0.61850  1.0 1.0
   65    62   -81    74  -0.22750 -1.0 2.0
   65    62   -81    74   0.15300  1.0 3.0
   65    62    81    82   0.15000  1.0 3.0
   65    62    81    43   0.34400  1.0 1.0
   65    62    81    43   0.09450 -1.0 2.0
   65    62    81    43   0.11100  1.0 3.0
   65    68   -74    81   2.00000 -1.0 2.0
   68    65    70    71   7.00000 -1.0 2.0
   68    65    70    72   7.00000 -1.0 2.0
   68    74   -81    62  -0.25900  1.0 1.0
   68    74   -81    62  -0.47000 -1.0 2.0
   68    74   -81    62   0.11750  1.0 3.0
   68    74    81    82   0.08050  1.0 3.0
   68    74    81    43  -0.25900  1.0 1.0
   68    74    81    43  -0.47000 -1.0 2.0
   68    74    81    43   0.11750  1.0 3.0
   69    68    74    81   3.00000 -1.0 2.0
   74    81    43    41   0.61850  1.0 1.0
   74    81    43    41  -0.22750 -1.0 2.0
   74    81    43    41   0.15300  1.0 3.0
   74    81    43    44   0.23400  1.0 3.0
   74    81    43    48   0.62750  1.0 1.0
   74    81    43    48  -0.30950 -1.0 2.0
   74    81    43    48   0.27300  1.0 3.0
   81    62   -65    68   0.09700  1.0 1.0
   81    62   -65    68   0.15600 -1.0 2.0
   81    62   -65    68  -0.50800  1.0 3.0
   81    62    65    70   0.09850  1.0 1.0
   81    62    65    70   0.15250 -1.0 2.0
   81    62    65    70  -0.50650  1.0 3.0
   81    43    48    33   0.56750  1.0 1.0
   81    43    48    33  -0.07550 -1.0 2.0
   81    43    48    33   0.20000  1.0 3.0
   81    43    48    54   0.56750  1.0 1.0
   81    43    48    54  -0.07550 -1.0 2.0
   81    43    48    54   0.20000  1.0 3.0
   81    43    48    58   0.86500  1.0 1.0
   81    43    48    58  -0.17500 -1.0 2.0
   81    43    48    58   0.20800  1.0 3.0
   82    81    43    41   0.15000  1.0 3.0
   82    81    43    44   0.15000  1.0 3.0
   82    81    43    48   0.15000  1.0 3.0
   43    41    42    45   7.00000 -1.0 2.0
   43    41    42    49   7.00000 -1.0 2.0
   43    48    54    55   0.15000  1.0 3.0
   43    48    54    56   0.15000  1.0 3.0
   43    48    54    57   0.15000  1.0 3.0
   43    48    58    59  -0.11600  1.0 1.0
   43    48    58    59  -0.09450 -1.0 2.0
   43    48    58    59   0.21250  1.0 3.0
   44    43    48    33   0.15000  1.0 3.0
   44    43    48    54   0.15000  1.0 3.0
   44    43    48    58   0.23400  1.0 3.0
   48    33    38    39   0.15000  1.0 3.0
   48    33    38    40   0.15000  1.0 3.0
   48    33   -38    41   0.34400  1.0 1.0
   48    33   -38    41   0.09450 -1.0 2.0
   48    33   -38    41   0.11100  1.0 3.0
   54    48    58    59  -0.11600  1.0 1.0
   54    48    58    59  -0.09450 -1.0 2.0
   54    48    58    59   0.21250  1.0 3.0
   58    48    54    55   0.23400  1.0 3.0
   58    48    54    56   0.23400  1.0 3.0
   58    48    54    57   0.23400  1.0 3.0
   70    65    68    69   1.00000 -1.0 2.0
   70    65    68    74  -0.56150  1.0 1.0
   70    65    68    74   2.19150 -1.0 2.0
   64    52    62    63   0.23400  1.0 3.0
   64    52    62    65   0.61850  1.0 1.0
   64    52    62    65  -0.22750 -1.0 2.0
   64    52    62    65   0.15300  1.0 3.0
   64    52    62    81   0.62750  1.0 1.0
   64    52    62    81  -0.30950 -1.0 2.0
   64    52    62    81   0.27300  1.0 3.0
   64    66    73    75  -0.56150  1.0 1.0
   64    66    73    75   2.19150 -1.0 2.0
   64    66    73    77  -0.15000  1.0 1.0
   64    66    73    77   0.89550 -1.0 2.0
   64    66    73    77  -0.06900  1.0 3.0
   66    73    75    76   7.00000 -1.0 2.0
   66    73    75    83   7.00000 -1.0 2.0
   66    73    77    78   0.15000  1.0 3.0
   66    73    77    79   0.15000  1.0 3.0
   66    73    77    80   0.15000  1.0 3.0
   67    66    73    75   1.00000 -1.0 2.0
   67    66    73    77  -0.64400  1.0 1.0
   67    66    73    77   0.26850 -1.0 2.0
   73    75    83    84   0.00000  1.0 1.0
   73    75    83    85   0.00000  1.0 1.0
   73    75    83    86   0.00000  1.0 1.0
   75    73    77    78   0.00000  1.0 1.0
   75    73    77    79   0.00000  1.0 1.0
   75    73    77    80   0.00000  1.0 1.0
   76    75    83    84   0.33100  1.0 3.0
   76    75    83    85   0.33100  1.0 3.0
   76    75    83    86   0.33100  1.0 3.0
   77    73    75    76   7.00000 -1.0 2.0
   77    73    75    83   7.00000 -1.0 2.0
   49    42    45    46   0.34800  1.0 3.0
   49    42    45    47   0.34800  1.0 3.0
   49    42    45    52   0.46850  1.0 1.0
   49    42    45    52   0.08550 -1.0 2.0
   49    42    45    52   0.09800  1.0 3.0
   50    49    60    61   0.19450  1.0 3.0
   51    49    60    61   0.19450  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42   1.10000 -1.0 2.0
   45    49    42    41   1.10000 -1.0 2.0
   62    68    65    70   1.10000 -1.0 2.0
   65    74    68    69  10.50000 -1.0 2.0
   71    72    70    65   1.10000 -1.0 2.0
   64    73    66    67  10.50000 -1.0 2.0
   66    77    73    75  15.00000 -1.0 2.0
   83    76    75    73  15.00000 -1.0 2.0
END
