* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    158    221     443
    1     0 S   NP   _N1_     1    29.47811    98.49250   -19.89654
    2     1 S   H    _HN1     2     1.02832    58.91200   146.76964
    3     1 S   H    _H1_     3     1.02790    89.08353  -101.66682
    4     1 S   H    _H2_     4     1.02946    60.95165     9.94218
    5     1 S   CT   _CA1     5     1.50121   158.78124    80.99354
    6     5 S   HC   _HA1     6     1.09573   105.22992   116.18971
    7     5 S   CO3  _C1_     7     1.53845   112.09252    -4.06900
    8     7 S   O2Z  _O11     8     1.26388   115.03784   -50.14336
    9     7 S   O2Z  _O12     9     1.26205   114.91655   128.60521
   10     5 S   CT   _CB1    10     1.53043   107.37403  -125.90467
   11    10 S   HC   HB11    11     1.09832   109.62598   -48.97802
   12    10 S   HC   HB12    12     1.09810   110.39669    67.68703
   13    10 S   CT   _CG1    13     1.52959   112.45606  -169.85369
   14    13 S   HC   HG11    14     1.09507   110.46184   -61.86053
   15    13 S   HC   HG12    15     1.09652   109.88134    57.28427
   16    13 S   C    _CD1    16     1.51801   112.03700   178.05892
   17    16 S   O    _OE1    17     1.22767   123.16456     8.31295
   18    16 S   N    _N2_    18     1.38564   111.86629  -172.24288
   19    18 S   H    _HN2    19     1.01653   119.08445     1.94843
   20    18 S   CT1  _CA2    20     1.46090   123.43534  -179.89913
   21    20 S   HC   _HA2    21     1.09731   109.14594     2.53891
   22    20 S   C    _C2_    22     1.53541   109.15104  -113.02690
   23    22 S   O    _O2_    23     1.23089   122.14476  -152.26991
   24    20 S   CT   _CB2    32     1.53412   111.80821   124.21702
   25    24 S   HC   HB21    33     1.09405   110.36123    62.18668
   26    24 S   HC   HB22    34     1.09565   109.96630   179.45035
   27    22 S   N    _N3_    24     1.38310   113.88720    35.33604
   28    27 S   H    _HN3    25     1.01581   119.50534    -3.92386
   29    24 S   S    _SG2    35     1.83291   111.89226   -62.29916
   30    27 S   CT   _CA3    26     1.45262   123.19231   177.08785
   31    30 S   HC   HA31    27     1.09551   107.59211   -62.76375
   32    30 S   HC   HA32    28     1.09560   107.87832    53.64047
   33    29 S   CT   _C19    36     1.88965   100.87934   122.77244
   34    30 S   CO3  _C3_    29     1.52943   114.13793   175.62355
   35    34 S   O2Z  _O31    30     1.26369   116.11431     1.15961
   36    34 S   O2Z  _O32    31     1.26439   114.40226  -178.83921
   37    33 S   CM   _C20    37     1.53380   105.37170   -66.15554
   38    37 S   HC   _H22    38     1.09115   112.81784   -54.53961
   39    33 S   CT   _C5_    46     1.58402   109.91930   174.96592
   40    39 S   HC   _H3_    47     1.09923   106.51098   -60.68958
   41    33 S   OS   _O36    85     1.44140   110.19526    52.22048
   42    37 S   CMA  _C21    39     1.35647   131.91063   124.38955
   43    42 S   OM   _O34    40     1.26671   126.87114     1.67281
   44    39 S   CT   _C4_    48     1.54734   110.56869  -175.50246
   45    44 S   HC   _H6_    49     1.09453   111.92679   -66.59195
   46    44 S   HC   _H7_    50     1.09438   111.14708   172.88437
   47    44 S   HC   _H8_    51     1.09393   111.71074    53.94391
   48    39 S   CT   _C6_    52     1.56786   115.66184    57.33019
   49    48 S   HC   _H4_    53     1.09482   109.72909   -40.32382
   50    41 S   CT   _C23    86     1.41961   118.33825    64.06641
   51    50 S   HC   _H26    87     1.09405   107.60311  -174.64928
   52    50 S   HC   _H27    88     1.09224   111.59771    67.79930
   53    50 S   HC   _H28    89     1.09224   112.18505   -56.41988
   54    42 S   OS   _O35    41     1.42422   109.00141  -179.17386
   55    48 S   CM   _C7_    54     1.51300   110.77194  -160.80618
   56    55 S   HC   _H9_    55     1.08753   116.71783   -70.54322
   57    48 S   OS   _O33    80     1.43356   110.00102    79.69001
   58    54 S   CT   _C22    42     1.42641   114.71928   149.77183
   59    58 S   HC   _H23    43     1.09409   107.73214  -172.63318
   60    58 S   HC   _H24    44     1.09473   111.02312    69.39809
   61    58 S   HC   _H25    45     1.09534   111.07746   -54.57337
   62    55 S   CM   _C8_    56     1.34357   123.48211   110.27117
   63    62 S   HC   _H10    57     1.08822   117.97101    -0.40926
   64    57 S   CT   _C18    81     1.42308   113.45587  -154.56364
   65    64 S   HC   _H19    82     1.09326   108.14604   179.79633
   66    64 S   HC   _H20    83     1.09431   110.48206    61.24222
   67    64 S   HC   _H21    84     1.09369   110.96872   -61.28193
   68    62 S   C5B  _C9_    58     1.42735   125.25260   179.62413
   69    68 S   C5A  _C10    59     1.37899   124.02689  -179.39672
   70    69 S   HA   _H11    60     1.08116   129.14346     0.03956
   71    69 S   SA   _S1_    61     1.71423   109.59650  -179.96044
   72    71 S   CRA  _C11    62     1.72200    89.65749    -0.11191
   73    72 S   CT   _C12    63     1.50148   120.32550   179.83214
   74    73 S   HC   _H5_    64     1.09925   109.90284     7.76657
   75    68 S   N5B  _N4_    79     1.38071   120.34705     0.71024
   76    73 S   CT   _C13    65     1.52524   111.11956  -113.85935
   77    76 S   HC   _H12    66     1.09533   112.65680   -39.40684
   78    76 S   HC   _H13    67     1.09385   112.36231    83.88296
   79    76 S   S    _S2_    68     1.80067   102.22219  -155.88675
   80    79 S   CD   _C14    69     1.75428    90.22510    27.66437
   81    73 S   NI   _N5_    70     1.48190   109.41487   125.45089
   82    80 S   CM   _C15    71     1.49148   118.05804   163.26493
   83    82 S   CM   _C16    72     1.34281   117.00344  -177.80768
   84    83 S   HC   _H14    73     1.08572   120.95952  -179.95154
   85    83 S   HC   _H15    74     1.08523   122.80533     0.14127
   86    82 S   CT   _C17    75     1.49897   121.67314     2.33028
   87    86 S   HC   _H16    76     1.09485   110.82620    59.71745
   88    86 S   HC   _H17    77     1.09481   110.85022   -61.59542
   89    86 S   HC   _H18    78     1.09584   111.81456   179.03673
  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
  20   2   1   1  11   5  15   9   7   6   2   7   3   2   1  11
   5   3   2   1   1   4   8   4   5   3   2   1   1   7   3   3
   2   1   1   6   5   3   6   9   9   7   2   6   4   3   5   9
   3   7   6   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    39    40    44    48    41    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    54    39    40    44    45    46    47    48    49    55    57    41    50    51    52    53  
   35    36  
   36  
    0  
   38    42    43    54    58    39    40    44    48    41    50  
   42    43    54    39    41  
   40    44    45    46    47    48    49    55    56    62    57    64    41    50    42  
   44    45    46    47    48    49    55    57    41  
   50    51    52    53    42    44    48  
   43    54    58    59    60    61  
   54    58  
   45    46    47    48    49    55    57  
   46    47    48  
   47    48  
   48  
   49    55    56    62    63    68    57    64    65    66    67  
   55    56    62    57    64  
   51    52    53  
   52    53  
   53  
    0  
   58    59    60    61  
   56    62    63    68    69    75    57    64  
   62    63    68    57  
   64    65    66    67    62  
   59    60    61  
   60    61  
   61  
    0  
   63    68    69    70    71    72    75  
   68    69    75  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    75  
   70    71    72    73    75  
   71    72    75  
   72    73    74    76    81    75  
   73    74    76    77    78    79    80    81    75  
   74    76    77    78    79    80    81    82    75  
   76    77    78    79    80    81    75  
   76    81  
   77    78    79    80    81    82  
   78    79    80    81  
   79    80    81  
   80    81    82    83    86  
   81    82    83    84    85    86    87    88    89  
   82    83    86  
   83    84    85    86    87    88    89  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.785200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.284300   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.337600   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.231700   1.3810   1.2100   0.030040813   0.268726247
   71   3.5600   0.3950   0.001000   2.0080   1.7800   0.025682759  -1.666211680
   72   3.5500   0.0700   0.185900   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.275200   2.4950   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.2800   0.1700  -0.480300   1.8650   1.6500   0.001000000  -0.511443539
   76   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   80   3.7500   0.1050   0.400500   2.0020   1.7750   0.023028004  -0.852763146
   81   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   82   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    54   440.000  1.360
   54    58   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   39    40   340.000  1.090
   39    44   268.000  1.529
   39    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    55   317.000  1.510
   48    57   320.000  1.410
   55    56   340.000  1.080
   55    62   549.000  1.340
   62    63   340.000  1.080
   62    68   320.000  1.460
   68    69   520.000  1.370
   68    75   410.000  1.394
   69    70   367.000  1.080
   69    71   265.000  1.745
   71    72   250.000  1.765
   72    73   295.000  1.488
   72    75   488.000  1.335
   73    74   340.000  1.090
   73    76   268.000  1.529
   73    81   315.000  1.435
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   222.000  1.810
   79    80   220.000  1.793
   80    81   500.000  1.261
   80    82   320.000  1.464
   82    83   549.000  1.340
   82    86   317.000  1.510
   83    84   340.000  1.080
   83    85   340.000  1.080
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   57    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    50   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    44    58.35000  112.70000
   33    39    48    58.35000  112.70000
   33    41    50    60.00000  109.50000
   37    42    43    65.00000  137.10300
   37    42    54    80.00000  120.01400
   42    37    38    40.00000  120.50800
   42    54    58    90.00000  111.18400
   54    42    43    65.00000  121.00000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    37.50000  110.70000
   39    48    55    70.00000  112.02700
   39    48    57    50.00000  109.50000
   44    39    40    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    44    58.35000  112.70000
   48    55    56    35.00000  117.00000
   48    55    62    70.00000  124.00000
   48    57    64    60.00000  109.50000
   55    48    49    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    68    60.00000  123.20500
   62    55    56    35.00000  120.00000
   62    68    69    60.00000  120.93500
   62    68    75    70.00000  118.40000
   68    62    63    40.00000  117.26300
   68    69    70    35.00000  130.70000
   68    69    71    80.00000  111.29200
   68    75    72    70.00000  110.00000
   69    71    72   120.00000   89.04400
   71    69    70    40.00000  122.38200
   71    72    73    65.00000  125.49400
   71    72    75    80.00000  114.57700
   72    73    74    45.00000  109.19200
   72    73    76    70.00000  112.56400
   72    73    81    80.00000  109.82000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    75.00000  111.63000
   73    81    80    70.00000  113.48600
   76    73    74    37.50000  110.70000
   76    79    80    85.00000  101.21500
   78    76    77    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    35.00000  109.50000
   79    80    81    70.00000  121.22400
   79    80    82    65.00000  122.11800
   80    82    83    60.00000  120.31500
   80    82    86    65.00000  117.22000
   81    73    74    50.00000  110.29200
   81    73    76    80.00000  110.18800
   82    80    81    70.00000  121.86000
   82    83    84    35.00000  120.00000
   82    83    85    35.00000  120.00000
   82    86    87    35.00000  109.50000
   82    86    88    35.00000  109.50000
   82    86    89    35.00000  109.50000
   85    83    84    35.00000  117.00000
   86    82    83    70.00000  124.00000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   75    68    69    70.00000  111.00000
   75    72    73    65.00000  125.57700
   57    48    49    35.00000  109.50000
   57    48    55    85.00000  110.90400
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    37    85.00000  110.90400
   41    33    39    50.00000  109.50000
   41    50    51    35.00000  109.50000
   41    50    52    35.00000  109.50000
   41    50    53    35.00000  109.50000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   29    33    41    50   0.14700  1.0 1.0
   29    33    41    50  -1.16150 -1.0 2.0
   29    33    41    50   0.48700  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    54   7.00000 -1.0 2.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.15000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    55   0.34400  1.0 1.0
   33    39    48    55   0.09450 -1.0 2.0
   33    39    48    55   0.11100  1.0 3.0
   33    39    48    57   0.62750  1.0 1.0
   33    39    48    57  -0.30950 -1.0 2.0
   33    39    48    57   0.27300  1.0 3.0
   33    41    50    51   0.37050  1.0 3.0
   33    41    50    52   0.37050  1.0 3.0
   33    41    50    53   0.37050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    33    39    48   0.34400  1.0 1.0
   37    33    39    48   0.09450 -1.0 2.0
   37    33    39    48   0.11100  1.0 3.0
   37    33    41    50  -0.77900  1.0 1.0
   37    33    41    50  -0.36900 -1.0 2.0
   37    33    41    50   0.40400  1.0 3.0
   37    42    54    58  -2.26850  1.0 1.0
   37    42    54    58   3.39050 -1.0 2.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    54   7.00000 -1.0 2.0
   42    54    58    59   0.08050  1.0 3.0
   42    54    58    60   0.08050  1.0 3.0
   42    54    58    61   0.08050  1.0 3.0
   43    42    54    58   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    41    50   0.06250  1.0 1.0
   39    33    41    50  -0.01100 -1.0 2.0
   39    33    41    50   0.28050  1.0 3.0
   39    48    55    56   0.00000  1.0 1.0
   39    48    55    62   0.09850  1.0 1.0
   39    48    55    62   0.15250 -1.0 2.0
   39    48    55    62  -0.50650  1.0 3.0
   39    48    57    64   0.06250  1.0 1.0
   39    48    57    64  -0.01100 -1.0 2.0
   39    48    57    64   0.28050  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    55   0.15000  1.0 3.0
   40    39    48    57   0.23400  1.0 3.0
   44    39    48    49   0.15000  1.0 3.0
   44    39    48    55   0.34400  1.0 1.0
   44    39    48    55   0.09450 -1.0 2.0
   44    39    48    55   0.11100  1.0 3.0
   44    39    48    57   0.62750  1.0 1.0
   44    39    48    57  -0.30950 -1.0 2.0
   44    39    48    57   0.27300  1.0 3.0
   48    39    44    45   0.15000  1.0 3.0
   48    39    44    46   0.15000  1.0 3.0
   48    39    44    47   0.15000  1.0 3.0
   48    55    62    63   7.00000 -1.0 2.0
   48    55    62    68   7.00000 -1.0 2.0
   48    57    64    65   0.37050  1.0 3.0
   48    57    64    66   0.37050  1.0 3.0
   48    57    64    67   0.37050  1.0 3.0
   49    48    55    56   0.33100  1.0 3.0
   49    48    55    62   0.00000  1.0 1.0
   49    48    57    64   0.37050  1.0 3.0
   55    48    57    64  -0.77900  1.0 1.0
   55    48    57    64  -0.36900 -1.0 2.0
   55    48    57    64   0.40400  1.0 3.0
   55    62    68    69   0.15800  1.0 1.0
   55    62    68    69   1.85350 -1.0 2.0
   55    62    68    69  -0.48700  1.0 3.0
   55    62    68    75   0.11450  1.0 1.0
   55    62    68    75   1.85100 -1.0 2.0
   55    62    68    75  -0.49050  1.0 3.0
   56    55    62    63   7.00000 -1.0 2.0
   56    55    62    68   7.00000 -1.0 2.0
   62    68    69    70   3.62500 -1.0 2.0
   62    68    69    71   3.62500 -1.0 2.0
   62    68    75    72   3.62500 -1.0 2.0
   63    62    68    69   0.56550  1.0 3.0
   63    62    68    75   0.54250  1.0 3.0
   68    69   -71    72   3.62500 -1.0 2.0
   69    68   -75    72   2.40000 -1.0 2.0
   69    71    72    73   3.62500 -1.0 2.0
   69    71   -72    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   71    72    73    74   0.00000  1.0 1.0
   71    72    73    76  -1.00500  1.0 1.0
   71    72    73    76  -0.91300 -1.0 2.0
   71    72    73    76   0.11400  1.0 3.0
   71    72    73    81   0.04300 -1.0 2.0
   71    72   -75    68   3.62500 -1.0 2.0
   72    73    76    77   0.43200  1.0 3.0
   72    73    76    78   0.43200  1.0 3.0
   72    73    76    79   0.56750  1.0 1.0
   72    73    76    79  -0.07550 -1.0 2.0
   72    73    76    79   0.20000  1.0 3.0
   72    73    81    80  -0.12500  1.0 1.0
   72    73    81    80  -0.12500 -1.0 2.0
   72    73    81    80   0.25000  1.0 3.0
   73    72    75    68   3.62500 -1.0 2.0
   73    76   -79    80   0.00000  1.0 1.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    81    80  -0.15000  1.0 3.0
   76    73   -81    80  -0.12500  1.0 1.0
   76    73   -81    80  -0.12500 -1.0 2.0
   76    73   -81    80   0.25000  1.0 3.0
   76    79   -80    81   2.00000 -1.0 2.0
   76    79    80    82   2.00000 -1.0 2.0
   77    76    79    80   0.24000  1.0 3.0
   78    76    79    80   0.24000  1.0 3.0
   79    80   -81    73   6.00000 -1.0 2.0
   79    80    82    83   1.09700  1.0 1.0
   79    80    82    83   0.56350 -1.0 2.0
   79    80    82    83   0.49350  1.0 3.0
   79    80    82    86   7.00000 -1.0 2.0
   80    82    83    84   7.00000 -1.0 2.0
   80    82    83    85   7.00000 -1.0 2.0
   80    82    86    87   0.00000  1.0 1.0
   80    82    86    88   0.00000  1.0 1.0
   80    82    86    89   0.00000  1.0 1.0
   81    73    76    77   0.15000  1.0 3.0
   81    73    76    78   0.15000  1.0 3.0
   81    73   -76    79   0.56750  1.0 1.0
   81    73   -76    79  -0.07550 -1.0 2.0
   81    73   -76    79   0.20000  1.0 3.0
   81    80    82    83   1.09650  1.0 1.0
   81    80    82    83   0.48950 -1.0 2.0
   81    80    82    83   0.49400  1.0 3.0
   81    80    82    86   7.00000 -1.0 2.0
   82    80    81    73   6.00000 -1.0 2.0
   83    82    86    87   0.00000  1.0 1.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86    89   0.00000  1.0 1.0
   86    82    83    84   7.00000 -1.0 2.0
   86    82    83    85   7.00000 -1.0 2.0
   75    68    69    70   3.62500 -1.0 2.0
   75    68   -69    71   3.62500 -1.0 2.0
   75    72    73    74   0.00000  1.0 1.0
   75    72    73    76   0.29300  1.0 1.0
   75    72    73    76  -1.19700 -1.0 2.0
   75    72    73    76   0.60900  1.0 3.0
   75    72    73    81   0.04300 -1.0 2.0
   57    48    55    56   0.00000  1.0 1.0
   57    48    55    62   0.39000  1.0 1.0
   57    48    55    62  -0.05800 -1.0 2.0
   57    48    55    62  -0.55150  1.0 3.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    42   0.39000  1.0 1.0
   41    33    37    42  -0.05800 -1.0 2.0
   41    33    37    42  -0.55150  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    44   0.62750  1.0 1.0
   41    33    39    44  -0.30950 -1.0 2.0
   41    33    39    44   0.27300  1.0 3.0
   41    33    39    48   0.62750  1.0 1.0
   41    33    39    48  -0.30950 -1.0 2.0
   41    33    39    48   0.27300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    42  15.00000 -1.0 2.0
   43    54    42    37  15.00000 -1.0 2.0
   48    56    55    62  15.00000 -1.0 2.0
   68    63    62    55  15.00000 -1.0 2.0
   69    75    68    62   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    75    72    71   4.00000 -1.0 2.0
   79    82    80    81  10.50000 -1.0 2.0
   80    86    82    83  15.00000 -1.0 2.0
   84    85    83    82  15.00000 -1.0 2.0
END
