* LIGAND DATABASE FILE (OPLS2005)
*
001      87    88    161    243     457
    1     0 S   NP   _N1_     1    27.88272    95.92265   -24.95728
    2     1 S   H    _HN1     2     1.02957    73.36905    10.63127
    3     1 S   H    _H1_     3     1.02835    34.77971   175.78555
    4     1 S   H    _H2_     4     1.02777   111.15297   -93.04905
    5     1 S   CT   _CA1     5     1.50137   132.05081   113.35644
    6     5 S   HC   _HA1     6     1.09576   105.19827    91.91156
    7     5 S   CO3  _C1_     7     1.53767   112.34999   -28.24741
    8     7 S   O2Z  _O11     8     1.26365   114.98947   -43.99782
    9     7 S   O2Z  _O12     9     1.26231   114.92262   135.01738
   10     5 S   CT   _CB1    10     1.53087   107.41363  -150.20573
   11    10 S   HC   HB11    11     1.09830   109.27834   -50.51369
   12    10 S   HC   HB12    12     1.09815   110.45159    66.02244
   13    10 S   CT   _CG1    13     1.53034   112.70628  -171.57788
   14    13 S   HC   HG11    14     1.09592   110.52781   -65.46171
   15    13 S   HC   HG12    15     1.09660   109.88656    53.75499
   16    13 S   C    _CD1    16     1.51852   112.25246   174.09017
   17    16 S   O    _OE1    17     1.22762   123.26895     2.39163
   18    16 S   N    _N2_    18     1.38575   111.77837  -177.61091
   19    18 S   H    _HN2    19     1.01566   119.01485     4.18446
   20    18 S   CT1  _CA2    20     1.45824   122.78600   177.16565
   21    20 S   HC   _HA2    21     1.09733   108.94987    24.23618
   22    20 S   C    _C2_    22     1.52947   107.02222   -92.73896
   23    22 S   O    _O2_    23     1.22968   123.07023   -26.45987
   24    20 S   CT   _CB2    32     1.53233   112.25018   147.48383
   25    24 S   HC   HB21    33     1.09460   109.98293    54.30003
   26    24 S   HC   HB22    34     1.09474   109.77611   173.01020
   27    22 S   N    _N3_    24     1.38492   112.51734   156.31860
   28    27 S   H    _HN3    25     1.01653   120.35278    -2.33053
   29    24 S   S    _SG2    35     1.82721   110.91446   -67.48117
   30    27 S   CT   _CA3    26     1.45357   122.53910   178.52568
   31    30 S   HC   HA31    27     1.09565   107.87590   -54.59571
   32    30 S   HC   HA32    28     1.09560   107.56693    61.76716
   33    29 S   CT   _C17    36     1.86190   101.36741   168.86182
   34    30 S   CO3  _C3_    29     1.52900   114.26277  -176.51058
   35    34 S   O2Z  _O31    30     1.26346   116.03470     0.67811
   36    34 S   O2Z  _O32    31     1.26430   114.42371  -179.38134
   37    33 S   CM   _C4_    37     1.52403   107.10381   175.89382
   38    33 S   CT   _C21    84     1.53302   110.89429    51.45025
   39    38 S   HC   _H43    85     1.09555   111.56893   -72.68050
   40    38 S   HC   _H44    86     1.09631   111.61720   168.19969
   41    38 S   HC   _H45    87     1.09551   111.95825    48.24690
   42    37 S   CMA  _C5_    38     1.35081   112.57085    99.21692
   43    42 S   OM   _O22    39     1.25730   135.33988  -178.88935
   44    37 S   CT   _C24    72     1.50799   122.30907   -78.18311
   45    44 S   HC   _H52    73     1.09776   109.62734   148.33511
   46    44 S   HC   _H53    74     1.09358   109.54931    33.65826
   47    42 S   CT   _C13    40     1.51311   110.11112     0.24066
   48    47 S   HC   _H32    41     1.09643   112.53462   137.04342
   49    47 S   HC   _H33    42     1.09772   109.87797  -101.36342
   50    44 S   CM   _C10    75     1.50448   112.34274   -92.26602
   51    50 S   HC   _H31    76     1.09026   114.84587   -56.18588
   52    33 S   CT   _C16    43     1.55163   110.64396   -74.79189
   53    52 S   HC   _H36    44     1.09549   112.92109    34.66170
   54    50 S   CM   _C8_    77     1.34250   128.55191   124.95957
   55    54 S   HC   _H29    78     1.08904   117.05863   179.60833
   56    52 S   OS   _O24    45     1.44885   109.42149   155.28492
   57    54 S   CM   _C7_    79     1.44400   126.86307    -0.20653
   58    57 S   HC   _H28    80     1.08495   118.83524     0.36637
   59    56 S   CO4  _C12    46     1.35870   117.56600  -164.69322
   60    59 S   O    _O23    47     1.22225   126.97084     2.15468
   61    57 S   CM   _C6_    81     1.33825   123.03373  -179.58551
   62    61 S   HC   _H26    82     1.08506   120.26976   179.96044
   63    61 S   HC   _H27    83     1.08497   122.12431    -0.01978
   64    59 S   C3T  _C15    48     1.47960   110.92102  -179.56389
   65    64 S   HC   _H35    49     1.08693   112.51195   -85.11160
   66    64 S   C3T  _C14    50     1.51501   119.54098   132.15056
   67    66 S   HC   _H34    51     1.08702   116.51799    -3.71731
   68    64 S   C3T  _C18    52     1.52082   121.64686    61.08903
   69    66 S   CM   _C9_    61     1.47039   118.98139   137.09095
   70    69 S   HC   _H30    62     1.08888   115.08405   -28.92134
   71    68 S   CT   _C22    53     1.51040   120.30047     3.32602
   72    71 S   HC   _H46    54     1.09503   110.42438   -81.66262
   73    71 S   HC   _H47    55     1.09519   110.12799   158.92159
   74    71 S   HC   _H48    56     1.09484   112.45222    39.16325
   75    68 S   CT   _C23    57     1.51001   116.69774  -140.03955
   76    75 S   HC   _H49    58     1.09532   110.09236    90.12312
   77    75 S   HC   _H50    59     1.09502   112.63448   -29.65199
   78    75 S   HC   _H51    60     1.09496   110.36587  -150.53153
   79    69 S   CM   _C11    63     1.34711   127.30877   151.93853
   80    79 S   CT   _C19    64     1.50325   121.23027   179.83098
   81    80 S   HC   _H37    65     1.09490   110.23795   120.16577
   82    80 S   HC   _H38    66     1.09488   110.26283  -120.01331
   83    80 S   HC   _H39    67     1.09506   112.33245     0.09487
   84    79 S   CT   _C20    68     1.50264   123.70329    -0.25564
   85    84 S   HC   _H40    69     1.09500   110.13973   121.46375
   86    84 S   HC   _H41    70     1.09494   110.11928  -118.99565
   87    84 S   HC   _H42    71     1.09369   113.00538     1.32308
  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  12   5   4   3
  18   2   1   1  18   9   3   2   1  11   5   9   4   3   6   4
   3   6   3   5   2   6   3   6   4   3   9   4   2   1   1  15
   6  15   6  11  12   3   7   3   2   1   3   2   1   1   8   7
   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    47    52    53    56    44    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    48    49    52    53    56    59    44    45    46    50    38    39    40    41  
   35    36  
   36  
    0  
   42    43    47    48    49    52    53    56    44    45    46    50    51    54    38    39    40    41  
   39    40    41    42    44    47    52    53    56  
   40    41    52  
   41    52  
   52  
   43    47    48    49    52    53    56    44    45    46    50  
   47    48    49    52    44  
   45    46    50    51    54    55    57    47    52  
   46    50    51    54  
   50    51    54  
   48    49    52    53    56    59  
   49    52    53    56  
   52    53    56  
   51    54    55    57    58    61  
   54    55    57  
   53    56    59    60    64  
   56    59  
   55    57    58    61    62    63  
   57    58    61  
   59    60    64    65    66    68  
   58    61    62    63  
   61    62    63  
   60    64    65    66    67    68    71    75    69  
   64    65    66    68  
   62    63  
   63  
    0  
   65    66    67    68    71    72    73    74    75    76    77    78    69    70    79  
   66    67    68    71    75    69  
   67    68    71    72    73    74    75    76    77    78    69    70    79    80    84  
   68    71    75    69    70    79  
   71    72    73    74    75    76    77    78    69    70    79  
   70    79    80    81    82    83    84    85    86    87    71    75  
   79    80    84  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    87  
   86    87  
   87  
    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   0.167500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   87   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    52   268.000  1.529
   33    38   268.000  1.529
   37    42   465.000  1.376
   37    44   317.000  1.510
   42    43   745.000  1.250
   42    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    56   320.000  1.410
   56    59   214.000  1.327
   59    60   570.000  1.229
   59    64   290.000  1.496
   64    65   340.000  1.088
   64    66   260.000  1.509
   64    68   260.000  1.509
   66    67   340.000  1.088
   66    68   260.000  1.509
   66    69   305.000  1.480
   68    71   275.000  1.510
   68    75   275.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    70   340.000  1.080
   69    79   549.000  1.340
   79    80   317.000  1.510
   79    84   317.000  1.510
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   380.000  1.444
   57    58   340.000  1.080
   57    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   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    52    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  124.00000
   33    37    44    65.00000  117.92700
   33    52    47    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    56    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    47    65.00000  122.18000
   37    44    45    35.00000  109.50000
   37    44    46    35.00000  109.50000
   37    44    50    70.00000  110.12100
   42    47    48    45.00000  110.52000
   42    47    49    45.00000  110.52000
   42    47    52    70.00000  112.02700
   47    42    43    85.00000  112.85300
   47    52    53    37.50000  110.70000
   47    52    56    50.00000  109.50000
   49    47    48    33.00000  107.80000
   52    33    37    70.00000  112.02700
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    56    59    83.00000  116.90000
   56    52    53    35.00000  109.50000
   56    59    60    83.00000  123.40000
   56    59    64    81.00000  111.40000
   59    64    65    40.00000  116.18000
   59    64    66    65.00000  117.18000
   59    64    68    65.00000  117.18000
   64    59    60    75.00000  121.36600
   64    66    67    37.50000  117.20000
   64    66    68    10.00000   60.00500
   64    66    69    60.00000  120.58800
   64    68    66    10.00000   60.00500
   64    68    71    60.00000  120.94000
   64    68    75    60.00000  120.94000
   66    64    65    37.50000  117.20000
   66    68    71    60.00000  120.94000
   66    68    75    60.00000  120.94000
   66    69    70    40.00000  117.24000
   66    69    79    55.00000  125.06700
   68    64    65    37.50000  117.20000
   68    64    66    10.00000   60.00500
   68    66    67    37.50000  117.20000
   68    71    72    45.00000  109.38400
   68    71    73    45.00000  109.38400
   68    71    74    45.00000  109.38400
   68    75    76    45.00000  109.38400
   68    75    77    45.00000  109.38400
   68    75    78    45.00000  109.38400
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    68    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    66    67    40.00000  112.45000
   69    66    68    60.00000  120.58800
   69    79    80    70.00000  124.00000
   69    79    84    70.00000  124.00000
   79    69    70    35.00000  120.00000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   79    84    85    35.00000  109.50000
   79    84    86    35.00000  109.50000
   79    84    87    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    79    80    65.00000  117.92700
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   44    37    42    70.00000  124.00000
   44    50    51    35.00000  117.00000
   44    50    54    70.00000  124.00000
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    70.00000  123.01800
   57    54    55    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    63    35.00000  120.00000
   61    57    58    35.00000  120.00000
   63    61    62    35.00000  117.00000
   38    33    37    70.00000  112.02700
   38    33    52    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   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    37    44   0.30250  1.0 1.0
   29    33    37    44  -0.14950 -1.0 2.0
   29    33    37    44   0.36900  1.0 3.0
   29    33    52    47   0.44750  1.0 1.0
   29    33    52    47  -0.17800 -1.0 2.0
   29    33    52    47   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    56   0.56750  1.0 1.0
   29    33    52    56  -0.07550 -1.0 2.0
   29    33    52    56   0.20000  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   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37   -42    47   7.00000 -1.0 2.0
   33    37    44    45   0.34800  1.0 3.0
   33    37    44    46   0.34800  1.0 3.0
   33    37    44    50   0.09700  1.0 1.0
   33    37    44    50   0.15600 -1.0 2.0
   33    37    44    50  -0.50800  1.0 3.0
   33    52    56    59  -0.25900  1.0 1.0
   33    52    56    59  -0.47000 -1.0 2.0
   33    52    56    59   0.11750  1.0 3.0
   37    33   -52    47   0.34400  1.0 1.0
   37    33   -52    47   0.09450 -1.0 2.0
   37    33   -52    47   0.11100  1.0 3.0
   37    33    52    53   0.15000  1.0 3.0
   37    33    52    56   0.61850  1.0 1.0
   37    33    52    56  -0.22750 -1.0 2.0
   37    33    52    56   0.15300  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    47    48   0.00000  1.0 1.0
   37    42    47    49   0.00000  1.0 1.0
   37    42   -47    52   0.09850  1.0 1.0
   37    42   -47    52   0.15250 -1.0 2.0
   37    42   -47    52  -0.50650  1.0 3.0
   37    44    50    51   0.00000  1.0 1.0
   37    44    50    54  -0.28300  1.0 1.0
   37    44    50    54   0.26700 -1.0 2.0
   37    44    50    54  -0.63300  1.0 3.0
   42    37    44    45   0.00000  1.0 1.0
   42    37    44    46   0.00000  1.0 1.0
   42    37    44    50  -0.28300  1.0 1.0
   42    37    44    50   0.26700 -1.0 2.0
   42    37    44    50  -0.63300  1.0 3.0
   42    47   -52    33   0.34400  1.0 1.0
   42    47   -52    33   0.09450 -1.0 2.0
   42    47   -52    33   0.11100  1.0 3.0
   42    47    52    53   0.15000  1.0 3.0
   42    47    52    56   0.61850  1.0 1.0
   42    47    52    56  -0.22750 -1.0 2.0
   42    47    52    56   0.15300  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    49   0.00000  1.0 1.0
   43    42    47    52   0.09700  1.0 1.0
   43    42    47    52   0.15600 -1.0 2.0
   43    42    47    52  -0.50800  1.0 3.0
   47    52    56    59  -0.25900  1.0 1.0
   47    52    56    59  -0.47000 -1.0 2.0
   47    52    56    59   0.11750  1.0 3.0
   48    47    52    33   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    56   0.23400  1.0 3.0
   49    47    52    33   0.15000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    56   0.23400  1.0 3.0
   52    33   -37    42   0.09850  1.0 1.0
   52    33   -37    42   0.15250 -1.0 2.0
   52    33   -37    42  -0.50650  1.0 3.0
   52    33    37    44   0.46850  1.0 1.0
   52    33    37    44   0.08550 -1.0 2.0
   52    33    37    44   0.09800  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33    38    41   0.15000  1.0 3.0
   52    56    59    60   3.00000 -1.0 2.0
   52    56    59    64   1.63150  1.0 1.0
   52    56    59    64   2.92000 -1.0 2.0
   53    52    56    59   0.08050  1.0 3.0
   56    59    64    65   0.00000  1.0 1.0
   56    59    64    66   0.36750  1.0 3.0
   56    59    64    68   0.36750  1.0 3.0
   59    64    66    67   0.15000  1.0 3.0
   59    64   -66    68  -0.95700  1.0 1.0
   59    64   -66    68  -0.18200 -1.0 2.0
   59    64   -66    68   0.29450  1.0 3.0
   59    64    66    69  -0.98800  1.0 1.0
   59    64    66    69   0.48800 -1.0 2.0
   59    64    66    69   0.76800  1.0 3.0
   59    64   -68    66  -0.95700  1.0 1.0
   59    64   -68    66  -0.18200 -1.0 2.0
   59    64   -68    66   0.29450  1.0 3.0
   59    64    68    71  -0.95700  1.0 1.0
   59    64    68    71  -0.18200 -1.0 2.0
   59    64    68    71   0.29450  1.0 3.0
   59    64    68    75  -0.95700  1.0 1.0
   59    64    68    75  -0.18200 -1.0 2.0
   59    64    68    75   0.29450  1.0 3.0
   60    59    64    65   0.50000  1.0 3.0
   60    59    64    66   0.30150 -1.0 2.0
   60    59    64    68   0.30150 -1.0 2.0
   64    66   -68    71   0.07850  1.0 1.0
   64    66   -68    71  -0.03950 -1.0 2.0
   64    66   -68    71   0.67350  1.0 3.0
   64    66   -68    75   0.07850  1.0 1.0
   64    66   -68    75  -0.03950 -1.0 2.0
   64    66   -68    75   0.67350  1.0 3.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    79   0.09850  1.0 1.0
   64    66    69    79   0.15250 -1.0 2.0
   64    66    69    79  -0.50650  1.0 3.0
   64    68    71    72   0.15000  1.0 3.0
   64    68    71    73   0.15000  1.0 3.0
   64    68    71    74   0.15000  1.0 3.0
   64    68    75    76   0.15000  1.0 3.0
   64    68    75    77   0.15000  1.0 3.0
   64    68    75    78   0.15000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64   -66    68   0.15000  1.0 3.0
   65    64    66    69   0.15000  1.0 3.0
   65    64   -68    66   0.15000  1.0 3.0
   65    64    68    71   0.15000  1.0 3.0
   65    64    68    75   0.15000  1.0 3.0
   66    64   -68    71   0.07850  1.0 1.0
   66    64   -68    71  -0.03950 -1.0 2.0
   66    64   -68    71   0.67350  1.0 3.0
   66    64   -68    75   0.07850  1.0 1.0
   66    64   -68    75  -0.03950 -1.0 2.0
   66    64   -68    75   0.67350  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68    71    74   0.15000  1.0 3.0
   66    68    75    76   0.15000  1.0 3.0
   66    68    75    77   0.15000  1.0 3.0
   66    68    75    78   0.15000  1.0 3.0
   66    69    79    80   7.00000 -1.0 2.0
   66    69    79    84   7.00000 -1.0 2.0
   67    66   -68    64   0.15000  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    75   0.15000  1.0 3.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    79   0.00000  1.0 1.0
   68    64   -66    67   0.15000  1.0 3.0
   68    64   -66    69   0.34400  1.0 1.0
   68    64   -66    69   0.09450 -1.0 2.0
   68    64   -66    69   0.11100  1.0 3.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    79   0.09850  1.0 1.0
   68    66    69    79   0.15250 -1.0 2.0
   68    66    69    79  -0.50650  1.0 3.0
   71    68    75    76   0.15000  1.0 3.0
   71    68    75    77   0.15000  1.0 3.0
   71    68    75    78   0.15000  1.0 3.0
   75    68    71    72   0.15000  1.0 3.0
   75    68    71    73   0.15000  1.0 3.0
   75    68    71    74   0.15000  1.0 3.0
   69    66   -68    64   0.34400  1.0 1.0
   69    66   -68    64   0.09450 -1.0 2.0
   69    66   -68    64   0.11100  1.0 3.0
   69    66    68    71   0.34400  1.0 1.0
   69    66    68    71   0.09450 -1.0 2.0
   69    66    68    71   0.11100  1.0 3.0
   69    66    68    75   0.34400  1.0 1.0
   69    66    68    75   0.09450 -1.0 2.0
   69    66    68    75   0.11100  1.0 3.0
   69    79    80    81   0.00000  1.0 1.0
   69    79    80    82   0.00000  1.0 1.0
   69    79    80    83   0.00000  1.0 1.0
   69    79    84    85   0.00000  1.0 1.0
   69    79    84    86   0.00000  1.0 1.0
   69    79    84    87   0.00000  1.0 1.0
   70    69    79    80   7.00000 -1.0 2.0
   70    69    79    84   7.00000 -1.0 2.0
   80    79    84    85   0.34800  1.0 3.0
   80    79    84    86   0.34800  1.0 3.0
   80    79    84    87   0.34800  1.0 3.0
   84    79    80    81   0.34800  1.0 3.0
   84    79    80    82   0.34800  1.0 3.0
   84    79    80    83   0.34800  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    47   7.00000 -1.0 2.0
   44    50    54    55   7.00000 -1.0 2.0
   44    50    54    57   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    54   0.00000  1.0 1.0
   46    44    50    51   0.33100  1.0 3.0
   46    44    50    54   0.00000  1.0 1.0
   50    54    57    58  -0.18600  1.0 3.0
   50    54    57    61   0.28850  1.0 1.0
   50    54    57    61   2.61350 -1.0 2.0
   50    54    57    61   0.78400  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57    61    62   7.00000 -1.0 2.0
   54    57    61    63   7.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    61  -0.18600  1.0 3.0
   58    57    61    62   7.00000 -1.0 2.0
   58    57    61    63   7.00000 -1.0 2.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33    37    44   0.46850  1.0 1.0
   38    33    37    44   0.08550 -1.0 2.0
   38    33    37    44   0.09800  1.0 3.0
   38    33    52    47   0.56750  1.0 1.0
   38    33    52    47  -0.07550 -1.0 2.0
   38    33    52    47   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    56   0.62750  1.0 1.0
   38    33    52    56  -0.30950 -1.0 2.0
   38    33    52    56   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   47    43    42    37   1.10000 -1.0 2.0
   56    64    59    60  10.50000 -1.0 2.0
   66    70    69    79  15.00000 -1.0 2.0
   80    84    79    69  15.00000 -1.0 2.0
   44    51    50    54  15.00000 -1.0 2.0
   57    55    54    50  15.00000 -1.0 2.0
   54    58    57    61  15.00000 -1.0 2.0
   62    63    61    57  15.00000 -1.0 2.0
END
