* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    257     489
    1     0 S   NP   _N1_     1    28.46888    92.76214   -20.26804
    2     1 S   H    _HN1     2     1.02832    34.71893   105.39080
    3     1 S   H    _H1_     3     1.02774    79.27148  -109.20610
    4     1 S   H    _H2_     4     1.02953    98.70441    -2.01965
    5     1 S   CT   _CA1     5     1.50192   142.05489   138.19180
    6     5 S   HC   _HA1     6     1.09574   105.15697    40.01280
    7     5 S   CO3  _C1_     7     1.53898   112.33648   -79.94778
    8     7 S   O2Z  _O11     8     1.26404   115.11250   -40.34766
    9     7 S   O2Z  _O12     9     1.26242   114.94315   138.59639
   10     5 S   CT   _CB1    10     1.53093   107.33075   157.82845
   11    10 S   HC   HB11    11     1.09822   109.42977   -49.23004
   12    10 S   HC   HB12    12     1.09807   110.27024    67.21009
   13    10 S   CT   _CG1    13     1.53055   112.84197  -170.32399
   14    13 S   HC   HG11    14     1.09582   110.26162   -60.54066
   15    13 S   HC   HG12    15     1.09609   110.23545    58.73001
   16    13 S   C    _CD1    16     1.51826   112.07616   179.00653
   17    16 S   O    _OE1    17     1.22782   123.24162   -12.17181
   18    16 S   N    _N2_    18     1.38576   111.89088   167.52322
   19    18 S   H    _HN2    19     1.01563   119.16397     6.83988
   20    18 S   CT1  _CA2    20     1.45820   122.86277  -176.20568
   21    20 S   HC   _HA2    21     1.09610   108.50755    24.72594
   22    20 S   C    _C2_    22     1.52821   107.56766   -92.34724
   23    22 S   O    _O2_    23     1.22937   122.92646   -27.22851
   24    20 S   CT   _CB2    32     1.53369   112.21861   147.57571
   25    24 S   HC   HB21    33     1.09657   109.70394    60.83499
   26    24 S   HC   HB22    34     1.09557   111.37983   178.43177
   27    22 S   N    _N3_    24     1.38625   112.33065   155.67570
   28    27 S   H    _HN3    25     1.01491   119.74880     0.76974
   29    24 S   S    _SG2    35     1.82777   113.32092   -58.23955
   30    27 S   CT   _CA3    26     1.45444   122.82480   175.15249
   31    30 S   HC   HA31    27     1.09539   108.94141    30.46560
   32    30 S   HC   HA32    28     1.09478   107.17047   147.61795
   33    29 S   CT   _C21    36     1.84481   100.43893   -75.61220
   34    33 S   HC   _H3_    37     1.09556   109.54438    11.12167
   35    30 S   CO3  _C3_    29     1.53068   113.62407   -92.50337
   36    35 S   O2Z  _O31    30     1.26374   115.84416   -29.90317
   37    35 S   O2Z  _O32    31     1.26416   114.66013   150.95313
   38    33 S   CT   _C13    38     1.55233   110.46032   131.74310
   39    38 S   HC   _H39    39     1.09644   107.89505    55.82342
   40    33 S   CT   _C20    83     1.53230   106.33927  -105.74029
   41    40 S   HC   _H47    84     1.09611   111.72653   -65.10310
   42    40 S   HC   _H48    85     1.09489   111.19338   174.87684
   43    40 S   HC   _H49    86     1.09623   111.40968    56.26214
   44    38 S   CO4  _C5_    40     1.52251   109.97940   173.64686
   45    44 S   O    _O20    41     1.22372   124.55554    48.52772
   46    38 S   CT   _C8_    67     1.54705   112.58346   -66.01902
   47    46 S   HC   _H29    68     1.09225   110.02691    55.39888
   48    46 S   HC   _H30    69     1.09958   108.26976   -58.49143
   49    44 S   OS   _O23    42     1.36314   109.24210  -133.44095
   50    49 S   CT   _C16    43     1.42201   117.68184  -173.15118
   51    50 S   HC   _H42    44     1.09987   110.22450    30.63633
   52    50 S   CT   _C9_    45     1.51350   111.30247   -90.61008
   53    52 S   HC   _H31    46     1.09456   112.01657    77.93493
   54    52 S   HC   _H32    47     1.09581   111.20099   -42.15270
   55    52 S   CT   _C10    48     1.51287   101.94069  -161.62773
   56    55 S   HC   _H33    49     1.09515   112.22177   160.90178
   57    55 S   HC   _H34    50     1.09713   109.30322   -81.07052
   58    55 S   NTH0 _N19    51     1.47352   106.54781    35.01714
   59    58 S   CT   _C11    52     1.47111   112.23727   100.17067
   60    59 S   HC   _H35    53     1.09791   108.49653   144.92432
   61    59 S   HC   _H36    54     1.09587   114.39722    27.41050
   62    59 S   CT   _C17    55     1.51702   106.29471   -96.83556
   63    62 S   HC   _H43    56     1.09555   111.71697    82.17210
   64    62 S   CT   _C14    57     1.51991   101.67190   -36.94908
   65    64 S   HC   _H40    58     1.10258   107.66338   -74.41152
   66    62 S   OH   _O24    81     1.41593   111.75939  -155.41051
   67    66 S   HO   _H51    82     0.97255   107.50367   -61.34679
   68    64 S   CT   _C12    59     1.52465   112.91021   169.87968
   69    68 S   HC   _H37    60     1.09606   111.10301   -53.65849
   70    68 S   HC   _H38    61     1.09682   109.62775    65.48297
   71    50 S   CT   _C15    79     1.53759   114.30385   151.92653
   72    71 S   HC   _H41    80     1.09785   107.69511   -94.88502
   73    68 S   OS   _O22    62     1.43484   109.36754  -175.74425
   74    73 S   CO4  _C6_    63     1.36740   115.42865   173.38873
   75    74 S   O    _O21    64     1.22552   125.16279     6.90231
   76    74 S   CT   _C18    65     1.53090   110.61105  -171.85838
   77    76 S   CM   _C4_    66     1.53072   109.38536    61.11395
   78    76 S   CT   _C19    73     1.53624   108.61937   -66.32063
   79    78 S   HC   _H44    74     1.09708   110.66462   -59.09671
   80    78 S   HC   _H45    75     1.09628   110.94675  -176.94899
   81    78 S   HC   _H46    76     1.09508   112.72624    60.73292
   82    76 S   OH   _O25    77     1.42851   108.22584   178.10235
   83    82 S   HO   _H52    78     0.97335   108.81689    69.89629
   84    77 S   CM   _C7_    70     1.34641   123.24726  -108.18590
   85    84 S   HC   _H27    71     1.08339   122.72953     2.07160
   86    84 S   HC   _H28    72     1.08598   121.19305  -178.51813
  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
  14   8   2   1   1  15   8   5   2   1   1  10   3  11   4   3
  10  15   8  10   6   5  10   4   3  11  11   6   5  11   6  10
   7   3   1   8   4   3   2   1   6  10   4  10   9   6   3   2
   1   2   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    44    46    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    44    45    49    77    46    47    48    40    41    42    43  
   38    39    44    46    40    41    42    43  
   36    37  
   37  
    0  
   39    44    45    49    50    76    77    46    47    48    84    40    41    42    43  
   44    45    49    77    46    47    48    40  
   41    42    43    44    46  
   42    43  
   43  
    0  
   45    49    50    51    52    77    46    47    48    71  
   49    50    46  
   47    48    84    85    86    78    82    49    74    76    77  
   48    84    76    77  
   84    76    77  
   50    51    52    53    54    55    58    64    71    72  
   51    52    53    54    55    56    57    58    59    62    64    65    68    71    72  
   52    53    54    55    58    64    71    72  
   53    54    55    56    57    58    59    64    71    72  
   54    55    56    57    58    71  
   55    56    57    58    71  
   56    57    58    59    60    61    62    64    71    72  
   57    58    59    71  
   58    59    71  
   59    60    61    62    63    64    65    68    71    72    66  
   60    61    62    63    64    65    68    71    72    66    67  
   61    62    63    64    71    66  
   62    63    64    71    66  
   63    64    65    68    69    70    73    71    72    66    67  
   64    65    68    71    66    67  
   65    68    69    70    73    74    71    72    66    67  
   68    69    70    73    71    72    66  
   67    68    71  
    0  
   69    70    73    74    75    76    71    72  
   70    73    74    71  
   73    74    71  
   72    73  
    0  
   74    75    76    77    78    82  
   75    76    77    84    78    79    80    81    82    83  
   76    77    78    82  
   77    84    85    86    78    79    80    81    82    83  
   84    85    86    78    79    80    81    82    83  
   79    80    81    82    83    84  
   80    81    82  
   81    82  
   82  
   83    84  
    0  
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   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    40   268.000  1.529
   38    39   340.000  1.090
   38    44   317.000  1.522
   38    46   268.000  1.529
   44    45   570.000  1.229
   44    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    71   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   310.000  1.447
   58    59   310.000  1.447
   58    71   310.000  1.447
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   320.000  1.410
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   317.000  1.510
   76    78   268.000  1.529
   76    82   320.000  1.410
   77    46   317.000  1.510
   77    84   549.000  1.340
   46    47   340.000  1.090
   46    48   340.000  1.090
   84    85   340.000  1.080
   84    86   340.000  1.080
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   71    72   340.000  1.090
   66    67   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    38    46    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    80.00000  120.40000
   38    44    49    81.00000  111.40000
   38    46    77    70.00000  112.02700
   38    46    47    37.50000  110.70000
   38    46    48    37.50000  110.70000
   44    38    39    35.00000  109.50000
   44    49    50    83.00000  116.90000
   49    44    45    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    71    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    55    58.35000  112.70000
   50    71    58    75.00000  113.73300
   50    71    64    58.35000  112.70000
   50    71    72    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    75.00000  113.73300
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    58    59    80.00000  110.40700
   55    58    71    80.00000  110.40700
   57    55    56    33.00000  107.80000
   58    55    56    50.00000  110.15500
   58    55    57    50.00000  110.15500
   58    59    60    50.00000  110.15500
   58    59    61    50.00000  110.15500
   58    59    62    75.00000  113.73300
   58    71    64    75.00000  113.73300
   58    71    72    50.00000  110.15500
   59    62    63    37.50000  110.70000
   59    62    64    58.35000  112.70000
   59    62    66    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    68    58.35000  112.70000
   62    64    71    58.35000  112.70000
   62    66    67    55.00000  108.50000
   64    62    63    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    73    50.00000  109.50000
   64    71    72    37.50000  110.70000
   68    64    65    37.50000  110.70000
   68    73    74    83.00000  116.90000
   70    68    69    33.00000  107.80000
   73    68    69    35.00000  109.50000
   73    68    70    35.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    70.00000  109.06800
   74    76    78    63.00000  111.10000
   74    76    82    90.00000  109.61100
   76    74    75    80.00000  120.40000
   76    77    46    65.00000  117.92700
   76    77    84    70.00000  124.00000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    81    37.50000  110.70000
   76    82    83    55.00000  108.50000
   77    46    47    35.00000  109.50000
   77    46    48    35.00000  109.50000
   77    84    85    35.00000  120.00000
   77    84    86    35.00000  120.00000
   46    38    39    37.50000  110.70000
   46    38    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   84    77    46    70.00000  124.00000
   86    84    85    35.00000  117.00000
   78    76    77    70.00000  112.02700
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    76    77    90.00000  110.39200
   82    76    78    50.00000  109.50000
   71    50    51    37.50000  110.70000
   71    50    52    58.35000  112.70000
   71    58    59    80.00000  110.40700
   71    64    65    37.50000  110.70000
   71    64    68    58.35000  112.70000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    38    46   0.44750  1.0 1.0
   29    33    38    46  -0.17800 -1.0 2.0
   29    33    38    46   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    43   0.15000  1.0 3.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    49   0.36750  1.0 3.0
   33    38    46    77   0.34400  1.0 1.0
   33    38    46    77   0.09450 -1.0 2.0
   33    38    46    77   0.11100  1.0 3.0
   33    38    46    47   0.15000  1.0 3.0
   33    38    46    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    44  -0.11250  1.0 3.0
   34    33    38    46   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    43   0.15000  1.0 3.0
   38    44    49    50   1.63150  1.0 1.0
   38    44    49    50   2.92000 -1.0 2.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    49   0.00000  1.0 1.0
   39    38    46    77   0.15000  1.0 3.0
   39    38    46    47   0.15000  1.0 3.0
   39    38    46    48   0.15000  1.0 3.0
   44    38    46    77  -0.98800  1.0 1.0
   44    38    46    77   0.48800 -1.0 2.0
   44    38    46    77   0.76800  1.0 3.0
   44    38    46    47  -0.11250  1.0 3.0
   44    38    46    48  -0.11250  1.0 3.0
   44    49    50    51   0.08050  1.0 3.0
   44    49    50    52  -0.25900  1.0 1.0
   44    49    50    52  -0.47000 -1.0 2.0
   44    49    50    52   0.11750  1.0 3.0
   44    49    50    71  -0.25900  1.0 1.0
   44    49    50    71  -0.47000 -1.0 2.0
   44    49    50    71   0.11750  1.0 3.0
   45    44    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    55   0.62750  1.0 1.0
   49    50    52    55  -0.30950 -1.0 2.0
   49    50    52    55   0.27300  1.0 3.0
   49    50    71    58   0.63850  1.0 1.0
   49    50    71    58   0.02700 -1.0 2.0
   49    50    71    64   0.62750  1.0 1.0
   49    50    71    64  -0.30950 -1.0 2.0
   49    50    71    64   0.27300  1.0 3.0
   49    50    71    72   0.23400  1.0 3.0
   50    52    55    56   0.15000  1.0 3.0
   50    52    55    57   0.15000  1.0 3.0
   50    52   -55    58   1.53400  1.0 1.0
   50    52   -55    58  -0.09950 -1.0 2.0
   50    52   -55    58   0.05700  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    55   0.15000  1.0 3.0
   51    50    71    58   0.15000  1.0 3.0
   51    50    71    64   0.15000  1.0 3.0
   51    50    71    72   0.15000  1.0 3.0
   52    50   -71    58   1.53400  1.0 1.0
   52    50   -71    58  -0.09950 -1.0 2.0
   52    50   -71    58   0.05700  1.0 3.0
   52    50    71    64   0.56750  1.0 1.0
   52    50    71    64  -0.07550 -1.0 2.0
   52    50    71    64   0.20000  1.0 3.0
   52    50    71    72   0.15000  1.0 3.0
   52    55    58    59   1.99000  1.0 1.0
   52    55    58    59   0.18800 -1.0 2.0
   52    55    58    59   0.81350  1.0 3.0
   52    55   -58    71   1.99000  1.0 1.0
   52    55   -58    71   0.18800 -1.0 2.0
   52    55   -58    71   0.81350  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    58   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    58   0.15000  1.0 3.0
   55    58    59    60   0.28000  1.0 3.0
   55    58    59    61   0.28000  1.0 3.0
   55    58    59    62   1.99000  1.0 1.0
   55    58    59    62   0.18800 -1.0 2.0
   55    58    59    62   0.81350  1.0 3.0
   55    58   -71    50   1.99000  1.0 1.0
   55    58   -71    50   0.18800 -1.0 2.0
   55    58   -71    50   0.81350  1.0 3.0
   55    58    71    64   1.99000  1.0 1.0
   55    58    71    64   0.18800 -1.0 2.0
   55    58    71    64   0.81350  1.0 3.0
   55    58    71    72   0.28000  1.0 3.0
   56    55    58    59   0.28000  1.0 3.0
   56    55    58    71   0.28000  1.0 3.0
   57    55    58    59   0.28000  1.0 3.0
   57    55    58    71   0.28000  1.0 3.0
   58    59    62    63   0.15000  1.0 3.0
   58    59   -62    64   1.53400  1.0 1.0
   58    59   -62    64  -0.09950 -1.0 2.0
   58    59   -62    64   0.05700  1.0 3.0
   58    59    62    66   3.18500  1.0 1.0
   59    58    71    50   1.99000  1.0 1.0
   59    58    71    50   0.18800 -1.0 2.0
   59    58    71    50   0.81350  1.0 3.0
   59    58   -71    64   1.99000  1.0 1.0
   59    58   -71    64   0.18800 -1.0 2.0
   59    58   -71    64   0.81350  1.0 3.0
   59    58    71    72   0.28000  1.0 3.0
   59    62    64    65   0.15000  1.0 3.0
   59    62    64    68   0.56750  1.0 1.0
   59    62    64    68  -0.07550 -1.0 2.0
   59    62    64    68   0.20000  1.0 3.0
   59    62   -64    71   0.56750  1.0 1.0
   59    62   -64    71  -0.07550 -1.0 2.0
   59    62   -64    71   0.20000  1.0 3.0
   59    62    66    67  -0.11600  1.0 1.0
   59    62    66    67  -0.09450 -1.0 2.0
   59    62    66    67   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64   0.15000  1.0 3.0
   61    59    62    66   0.23400  1.0 3.0
   62    64    68    69   0.15000  1.0 3.0
   62    64    68    70   0.15000  1.0 3.0
   62    64    68    73   0.62750  1.0 1.0
   62    64    68    73  -0.30950 -1.0 2.0
   62    64    68    73   0.27300  1.0 3.0
   62    64    71    50   0.56750  1.0 1.0
   62    64    71    50  -0.07550 -1.0 2.0
   62    64    71    50   0.20000  1.0 3.0
   62    64   -71    58   1.53400  1.0 1.0
   62    64   -71    58  -0.09950 -1.0 2.0
   62    64   -71    58   0.05700  1.0 3.0
   62    64    71    72   0.15000  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    68   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    66    67   0.19450  1.0 3.0
   64    62    66    67  -0.11600  1.0 1.0
   64    62    66    67  -0.09450 -1.0 2.0
   64    62    66    67   0.21250  1.0 3.0
   64    68    73    74  -0.25900  1.0 1.0
   64    68    73    74  -0.47000 -1.0 2.0
   64    68    73    74   0.11750  1.0 3.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    70   0.15000  1.0 3.0
   65    64    68    73   0.23400  1.0 3.0
   65    64    71    50   0.15000  1.0 3.0
   65    64    71    58   0.15000  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   68    64    71    50   0.56750  1.0 1.0
   68    64    71    50  -0.07550 -1.0 2.0
   68    64    71    50   0.20000  1.0 3.0
   68    64    71    58   1.53400  1.0 1.0
   68    64    71    58  -0.09950 -1.0 2.0
   68    64    71    58   0.05700  1.0 3.0
   68    64    71    72   0.15000  1.0 3.0
   68    73    74    75   3.00000 -1.0 2.0
   68    73    74    76   1.63150  1.0 1.0
   68    73    74    76   2.92000 -1.0 2.0
   69    68    73    74   0.08050  1.0 3.0
   70    68    73    74   0.08050  1.0 3.0
   73    74    76    77   0.40000  1.0 3.0
   73    74    76    78   0.36750  1.0 3.0
   73    74    76    82   0.30750  1.0 1.0
   73    74    76    82   1.13850 -1.0 2.0
   73    74    76    82   0.38850  1.0 3.0
   74    76    77    46   0.17250  1.0 1.0
   74    76    77    46  -0.04100 -1.0 2.0
   74    76    77    46  -0.33850  1.0 3.0
   74    76    77    84  -0.51250  1.0 1.0
   74    76    77    84  -0.88800 -1.0 2.0
   74    76    77    84   0.08850  1.0 3.0
   74    76    78    79  -0.11250  1.0 3.0
   74    76    78    80  -0.11250  1.0 3.0
   74    76    78    81  -0.11250  1.0 3.0
   74    76    82    83   0.91850  1.0 1.0
   74    76    82    83   0.57950  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    78   0.30150 -1.0 2.0
   75    74    76    82   0.30150 -1.0 2.0
   76    77    46    38   0.46850  1.0 1.0
   76    77    46    38   0.08550 -1.0 2.0
   76    77    46    38   0.09800  1.0 3.0
   76    77    46    47   0.34800  1.0 3.0
   76    77    46    48   0.34800  1.0 3.0
   76    77    84    85   7.00000 -1.0 2.0
   76    77    84    86   7.00000 -1.0 2.0
   77    76    78    79   0.15000  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   77    76    78    81   0.15000  1.0 3.0
   77    76    82    83  -0.07800  1.0 1.0
   77    76    82    83  -0.21500 -1.0 2.0
   77    76    82    83  -0.03150  1.0 3.0
   46    38    44    45   0.30150 -1.0 2.0
   46    38    44    49   0.36750  1.0 3.0
   46    77    84    85   7.00000 -1.0 2.0
   46    77    84    86   7.00000 -1.0 2.0
   84    77    46    38   0.09850  1.0 1.0
   84    77    46    38   0.15250 -1.0 2.0
   84    77    46    38  -0.50650  1.0 3.0
   84    77    46    47   0.00000  1.0 1.0
   84    77    46    48   0.00000  1.0 1.0
   78    76    77    46   0.46850  1.0 1.0
   78    76    77    46   0.08550 -1.0 2.0
   78    76    77    46   0.09800  1.0 3.0
   78    76    77    84   0.09850  1.0 1.0
   78    76    77    84   0.15250 -1.0 2.0
   78    76    77    84  -0.50650  1.0 3.0
   78    76    82    83  -0.11600  1.0 1.0
   78    76    82    83  -0.09450 -1.0 2.0
   78    76    82    83   0.21250  1.0 3.0
   82    76    77    46   0.18000  1.0 1.0
   82    76    77    46   0.16450 -1.0 2.0
   82    76    77    46   0.04450  1.0 3.0
   82    76    77    84   0.67800  1.0 1.0
   82    76    77    84   0.47050 -1.0 2.0
   82    76    77    84  -0.62500  1.0 3.0
   82    76    78    79   0.23400  1.0 3.0
   82    76    78    80   0.23400  1.0 3.0
   82    76    78    81   0.23400  1.0 3.0
   71    50    52    53   0.15000  1.0 3.0
   71    50    52    54   0.15000  1.0 3.0
   71    50   -52    55   0.56750  1.0 1.0
   71    50   -52    55  -0.07550 -1.0 2.0
   71    50   -52    55   0.20000  1.0 3.0
   71    58    59    60   0.28000  1.0 3.0
   71    58    59    61   0.28000  1.0 3.0
   71    58   -59    62   1.99000  1.0 1.0
   71    58   -59    62   0.18800 -1.0 2.0
   71    58   -59    62   0.81350  1.0 3.0
   71    64    68    69   0.15000  1.0 3.0
   71    64    68    70   0.15000  1.0 3.0
   71    64    68    73   0.62750  1.0 1.0
   71    64    68    73  -0.30950 -1.0 2.0
   71    64    68    73   0.27300  1.0 3.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    68   0.86500  1.0 1.0
   66    62    64    68  -0.17500 -1.0 2.0
   66    62    64    68   0.20800  1.0 3.0
   66    62    64    71   0.86500  1.0 1.0
   66    62    64    71  -0.17500 -1.0 2.0
   66    62    64    71   0.20800  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    44  -0.95700  1.0 1.0
   40    33    38    44  -0.18200 -1.0 2.0
   40    33    38    44   0.29450  1.0 3.0
   40    33    38    46   0.56750  1.0 1.0
   40    33    38    46  -0.07550 -1.0 2.0
   40    33    38    46   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    49    44    45  10.50000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   76    46    77    84   1.10000 -1.0 2.0
   85    86    84    77   1.10000 -1.0 2.0
END
