* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    155    240     444
    1     0 S   NP   _N1_     1    30.43071    90.76558   -18.70913
    2     1 S   H    _HN1     2     1.03236   117.70903    97.63650
    3     1 S   H    _H1_     3     1.02697    30.13872    21.49262
    4     1 S   H    _H2_     4     1.03188   124.82568   -42.40545
    5     1 S   CT   _CA1     5     1.50218    81.38899  -153.45790
    6     5 S   HC   _HA1     6     1.09562   105.20375    58.77478
    7     5 S   CO3  _C1_     7     1.53594   113.27138   -61.89464
    8     7 S   O2Z  _O11     8     1.26343   115.22201   -38.21255
    9     7 S   O2Z  _O12     9     1.26293   114.91781   141.14697
   10     5 S   CT   _CB1    10     1.52637   106.82985   176.45276
   11    10 S   HC   HB11    11     1.09615   108.64557   -51.18668
   12    10 S   HC   HB12    12     1.09821   110.09152    64.65364
   13    10 S   CT   _CG1    13     1.53149   114.26054  -172.07655
   14    13 S   HC   HG11    14     1.09519   111.23319   -82.25630
   15    13 S   HC   HG12    15     1.09578   110.98618    38.02200
   16    13 S   C    _CD1    16     1.51547   109.08075   156.73641
   17    16 S   O    _OE1    17     1.22836   121.94619  -111.75725
   18    16 S   N    _N2_    18     1.38313   112.76647    65.53393
   19    18 S   H    _HN2    19     1.01546   119.36117    10.44740
   20    18 S   CT1  _CA2    20     1.45474   122.60152  -167.01712
   21    20 S   HC   _HA2    21     1.09689   108.19270    28.66014
   22    20 S   C    _C2_    22     1.52862   108.18514   -88.62097
   23    22 S   O    _O2_    23     1.22948   123.13369   -25.15754
   24    20 S   CT   _CB2    32     1.53351   112.18033   150.59811
   25    24 S   HC   HB21    33     1.09670   109.67717    70.87292
   26    24 S   HC   HB22    34     1.09578   110.61431  -172.23777
   27    22 S   N    _N3_    24     1.38516   112.44309   157.63439
   28    27 S   H    _HN3    25     1.01644   120.36581    -2.59201
   29    24 S   S    _SG2    35     1.83015   115.22576   -48.70929
   30    27 S   CT   _CA3    26     1.45351   122.51959   178.54196
   31    30 S   HC   HA31    27     1.09565   107.85552   -54.97376
   32    30 S   HC   HA32    28     1.09560   107.58591    61.38426
   33    29 S   CT   _C22    36     1.82611   100.50048   -60.70140
   34    33 S   HC   _H3_    37     1.09368   108.62877    69.97735
   35    33 S   HC   _H4_    38     1.09553   109.66601   -46.74760
   36    30 S   CO3  _C3_    29     1.52898   114.27031  -176.90446
   37    36 S   O2Z  _O31    30     1.26345   116.04645    -0.08623
   38    36 S   O2Z  _O32    31     1.26429   114.42210   179.87646
   39    33 S   CM   _C10    39     1.52368   109.71578  -167.17882
   40    39 S   CMA  _C11    40     1.36631   123.42350  -104.08271
   41    40 S   OM   _O20    41     1.26849   125.73410    -1.92610
   42    39 S   CT   _C20    78     1.51737   113.26300    77.51645
   43    42 S   HC   _H40    79     1.09442   110.58336   -67.52794
   44    42 S   HC   _H41    80     1.09546   109.97068    52.15918
   45    42 S   HC   _H42    81     1.09335   113.89189   171.66671
   46    40 S   OS   _O26    42     1.41654   111.84179   179.80218
   47    46 S   CT   _C18    43     1.44080   115.65956  -129.88449
   48    47 S   HC   _H39    44     1.09666   110.28476   -30.52546
   49    47 S   CT   _C12    45     1.55634   106.59837    87.86765
   50    49 S   HC   _H31    46     1.09758   109.50123    73.71476
   51    49 S   HC   _H32    47     1.09697   110.35610   -41.01289
   52    47 S   CT   _C15    61     1.56982   110.02293  -149.73046
   53    52 S   HC   _H36    62     1.09878   108.84994  -102.73065
   54    49 S   CM   _C5_    48     1.48223   112.79953  -162.35466
   55    52 S   CM   _C6_    63     1.50057   120.06222    19.15919
   56    54 S   CM   _C4_    49     1.33066   129.60376  -100.42919
   57    56 S   HC   _H28    50     1.08099   124.67917    -3.00596
   58    55 S   CO4  _C8_    64     1.47710   109.86400   139.13336
   59    58 S   O    _O22    65     1.21796   127.13560   174.31666
   60    55 S   CM   _C9_    67     1.33746   130.61003   -46.23579
   61    60 S   HC   _H29    68     1.08380   121.79478     1.08318
   62    60 S   HC   _H30    69     1.08558   121.77893  -177.52789
   63    56 S   CT   _C14    51     1.48068   110.50341   166.09194
   64    63 S   HC   _H35    52     1.09462   111.26508   128.93694
   65    79 S   OS   _O24    66     1.43833   108.03946   126.11516
   66    63 S   CT   _C13    53     1.54488   112.86770  -105.79861
   67    66 S   HC   _H33    54     1.09661   109.26343   173.00406
   68    66 S   HC   _H34    55     1.09769   108.90472   -70.62463
   69    63 S   OS   _O23    75     1.43364   103.50216    12.87947
   70    66 S   C3T  _C19    56     1.52002   113.24122    51.65905
   71    54 S   CO4  _C7_    76     1.46948   123.84452    76.38673
   72    71 S   O    _O21    77     1.21859   125.78846     6.78426
   73    70 S   C3T  _C17    57     1.52884   116.58355   -78.20112
   74    73 S   HC   _H38    58     1.08262   120.85581    -4.69323
   75    70 S   CT   _C21    71     1.50301   117.58234    81.85953
   76    75 S   HC   _H43    72     1.09585   111.65209   146.79816
   77    75 S   HC   _H44    73     1.09466   111.14202    27.30541
   78    75 S   HC   _H45    74     1.09226   111.19075   -93.28979
   79    73 S   CT   _C16    59     1.49678   122.09920   149.83667
   80    79 S   HC   _H37    60     1.09555   111.67121     9.85507
   81    70 S   O3T  _O25    70     1.43700   115.99529  -143.29390
  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   6   5   4   3
  10   4   3   2   1   1   8  10   3   4   2   1   1  10  16   8
  13   5   4  15   7   8   9  10   5   8   3   4   1   1  11   6
   6  13   6   5   3   9   1   1   8   4   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    42    43    44    45  
   35    39    40    42  
   39    40    42  
   37    38  
   38  
    0  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    52    42    43    44    45  
   46    47    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    50    51    54    79    52    53    55  
   48    49    50    51    54    56    73    79    80    52    53    55    58    65    60    71  
   49    50    51    54    79    52    53    55  
   50    51    54    56    57    63    79    52    53    55    69    71    72  
   51    54    56    52    71  
   54    56    52    71  
   53    55    58    59    65    60    61    62    81    54    70    73    74    79    80  
   55    58    65    60    73    79    80  
   56    57    63    64    66    69    71    72  
   58    59    65    60    61    62    73    79    80  
   57    63    64    66    67    68    70    69    71    72  
   63    64    66    69    71  
   59    65    60    61    62    73    79    80  
   65    60    79  
   61    62    65    79  
   62  
    0  
   64    66    67    68    70    73    81    75    69    71    72  
   66    67    68    70    69    71  
   81    70    73    74    79    80  
   67    68    70    73    74    79    81    75    76    77    78    69    71  
   68    70    73    81    75    69  
   70    73    81    75    69  
   71    72    70  
   73    74    79    80    81    75    76    77    78  
   72  
    0  
   74    79    80    81    75    76    77    78  
   79    80    81    75  
   76    77    78    79    81  
   77    78    81  
   78    81  
   81  
   80    81  
   81  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    42   317.000  1.510
   40    41   745.000  1.250
   40    46   440.000  1.360
   46    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   317.000  1.510
   54    56   549.000  1.340
   54    71   320.000  1.462
   56    57   340.000  1.080
   56    63   317.000  1.510
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   275.000  1.510
   70    73   260.000  1.509
   70    81   335.000  1.432
   70    75   275.000  1.510
   73    74   340.000  1.088
   73    79   275.000  1.510
   73    81   335.000  1.432
   79    80   340.000  1.090
   79    52   268.000  1.529
   79    65   320.000  1.410
   52    53   340.000  1.090
   52    55   317.000  1.510
   55    58   320.000  1.462
   55    60   549.000  1.340
   58    59   570.000  1.229
   58    65   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   69    71   214.000  1.327
   71    72   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    42    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    46    80.00000  120.01400
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    45    35.00000  109.50000
   40    46    47    90.00000  111.18400
   46    40    41    65.00000  121.00000
   46    47    48    35.00000  109.50000
   46    47    49    50.00000  109.50000
   46    47    52    50.00000  109.50000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    70.00000  112.02700
   47    52    79    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  112.02700
   49    47    48    37.50000  110.70000
   49    54    56    70.00000  124.00000
   49    54    71    65.00000  116.34900
   51    49    50    33.00000  107.80000
   54    49    50    35.00000  109.50000
   54    49    51    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    63    70.00000  124.00000
   54    71    69    90.00000  111.29400
   54    71    72    80.00000  123.72100
   56    63    64    35.00000  109.50000
   56    63    66    70.00000  112.02700
   56    63    69    85.00000  110.90400
   63    56    57    35.00000  117.00000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    70    70.00000  112.37300
   63    69    71    83.00000  116.90000
   66    63    64    37.50000  110.70000
   66    70    73    60.00000  120.94000
   66    70    81    80.00000  116.47100
   66    70    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    45.00000  109.38400
   70    66    68    45.00000  109.38400
   70    73    74    37.50000  117.20000
   70    73    79    60.00000  120.94000
   70    73    81    15.00000   60.43100
   70    81    73    15.00000   59.14900
   70    75    76    45.00000  109.38400
   70    75    77    45.00000  109.38400
   70    75    78    45.00000  109.38400
   73    79    80    45.00000  109.38400
   73    79    52    70.00000  112.37300
   73    79    65    50.00000  109.50000
   79    73    74    40.00000  115.04500
   79    52    53    37.50000  110.70000
   79    52    55    70.00000  112.02700
   79    65    58    83.00000  116.90000
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    79    80    37.50000  110.70000
   52    55    58    65.00000  116.34900
   52    55    60    70.00000  124.00000
   55    52    53    35.00000  109.50000
   55    58    59    80.00000  123.72100
   55    58    65    90.00000  111.29400
   55    60    61    35.00000  120.00000
   55    60    62    35.00000  120.00000
   65    79    80    35.00000  109.50000
   65    79    52    50.00000  109.50000
   65    58    59    83.00000  123.40000
   60    55    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   81    70    73    15.00000   60.43100
   81    73    74    50.00000  114.27700
   81    73    79    80.00000  116.47100
   75    70    73    60.00000  120.94000
   75    70    81    80.00000  116.47100
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   69    63    64    35.00000  109.50000
   69    63    66    50.00000  109.50000
   69    71    72    83.00000  123.40000
   71    54    56    65.00000  118.96000
   42    39    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    42   0.30250  1.0 1.0
   29    33    39    42  -0.14950 -1.0 2.0
   29    33    39    42   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    46   7.00000 -1.0 2.0
   33    39    42    43   0.34800  1.0 3.0
   33    39    42    44   0.34800  1.0 3.0
   33    39    42    45   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    42   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    42   0.34800  1.0 3.0
   39    40    46    47  -2.26850  1.0 1.0
   39    40    46    47   3.39050 -1.0 2.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    45   0.00000  1.0 1.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -0.46850  1.0 1.0
   40    46    47    49   0.09300 -1.0 2.0
   40    46    47    49  -0.12850  1.0 3.0
   40    46    47    52  -0.46850  1.0 1.0
   40    46    47    52   0.09300 -1.0 2.0
   40    46    47    52  -0.12850  1.0 3.0
   41    40    46    47   2.00000 -1.0 2.0
   46    47    49    50   0.23400  1.0 3.0
   46    47    49    51   0.23400  1.0 3.0
   46    47    49    54   0.61850  1.0 1.0
   46    47    49    54  -0.22750 -1.0 2.0
   46    47    49    54   0.15300  1.0 3.0
   46    47    52    79   0.62750  1.0 1.0
   46    47    52    79  -0.30950 -1.0 2.0
   46    47    52    79   0.27300  1.0 3.0
   46    47    52    53   0.23400  1.0 3.0
   46    47    52    55   0.61850  1.0 1.0
   46    47    52    55  -0.22750 -1.0 2.0
   46    47    52    55   0.15300  1.0 3.0
   47    49    54    56   0.09850  1.0 1.0
   47    49    54    56   0.15250 -1.0 2.0
   47    49    54    56  -0.50650  1.0 3.0
   47    49    54    71   0.09700  1.0 1.0
   47    49    54    71   0.15600 -1.0 2.0
   47    49    54    71  -0.50800  1.0 3.0
   47    52    55    58   0.09700  1.0 1.0
   47    52    55    58   0.15600 -1.0 2.0
   47    52    55    58  -0.50800  1.0 3.0
   47    52    55    60   0.09850  1.0 1.0
   47    52    55    60   0.15250 -1.0 2.0
   47    52    55    60  -0.50650  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    79   0.15000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   49    47    52    79   0.56750  1.0 1.0
   49    47    52    79  -0.07550 -1.0 2.0
   49    47    52    79   0.20000  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55   0.34400  1.0 1.0
   49    47    52    55   0.09450 -1.0 2.0
   49    47    52    55   0.11100  1.0 3.0
   49    54    56    57   7.00000 -1.0 2.0
   49    54    56    63   7.00000 -1.0 2.0
   49    54    71    69  -0.15000  1.0 1.0
   49    54    71    69   0.89550 -1.0 2.0
   49    54    71    69  -0.06900  1.0 3.0
   49    54    71    72  -0.64400  1.0 1.0
   49    54    71    72   0.26850 -1.0 2.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    54    71   0.15000  1.0 3.0
   51    49    54    56   0.00000  1.0 1.0
   51    49    54    71   0.15000  1.0 3.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    66   0.09850  1.0 1.0
   54    56    63    66   0.15250 -1.0 2.0
   54    56    63    66  -0.50650  1.0 3.0
   54    56   -63    69   0.39000  1.0 1.0
   54    56   -63    69  -0.05800 -1.0 2.0
   54    56   -63    69  -0.55150  1.0 3.0
   56    54   -71    69  -0.56150  1.0 1.0
   56    54   -71    69   2.19150 -1.0 2.0
   56    54    71    72   1.00000 -1.0 2.0
   56    63    66    67   0.15000  1.0 3.0
   56    63    66    68   0.15000  1.0 3.0
   56    63    66    70   0.34400  1.0 1.0
   56    63    66    70   0.09450 -1.0 2.0
   56    63    66    70   0.11100  1.0 3.0
   56    63   -69    71  -0.82050  1.0 1.0
   56    63   -69    71   0.00600 -1.0 2.0
   56    63   -69    71   0.04400  1.0 3.0
   57    56    63    64   0.33100  1.0 3.0
   57    56    63    66   0.00000  1.0 1.0
   57    56    63    69   0.00000  1.0 1.0
   63    66    70    73   0.07850  1.0 1.0
   63    66    70    73  -0.03950 -1.0 2.0
   63    66    70    73   0.67350  1.0 3.0
   63    66    70    81   0.02550  1.0 1.0
   63    66    70    81  -0.02600 -1.0 2.0
   63    66    70    81   1.20400  1.0 3.0
   63    66    70    75   0.56750  1.0 1.0
   63    66    70    75  -0.07550 -1.0 2.0
   63    66    70    75   0.20000  1.0 3.0
   63    69   -71    54   2.00000 -1.0 2.0
   63    69    71    72   3.00000 -1.0 2.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    70   0.15000  1.0 3.0
   64    63    69    71   0.08050  1.0 3.0
   66    63    69    71  -0.25900  1.0 1.0
   66    63    69    71  -0.47000 -1.0 2.0
   66    63    69    71   0.11750  1.0 3.0
   66    70    73    74   0.15000  1.0 3.0
   66    70    73    79   0.56750  1.0 1.0
   66    70    73    79  -0.07550 -1.0 2.0
   66    70    73    79   0.20000  1.0 3.0
   66    70   -73    81   0.02550  1.0 1.0
   66    70   -73    81  -0.02600 -1.0 2.0
   66    70   -73    81   1.20400  1.0 3.0
   66    70   -81    73   0.06250  1.0 1.0
   66    70   -81    73  -0.01100 -1.0 2.0
   66    70   -81    73   0.28050  1.0 3.0
   66    70    75    76   0.15000  1.0 3.0
   66    70    75    77   0.15000  1.0 3.0
   66    70    75    78   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   67    66    70    81   0.23400  1.0 3.0
   67    66    70    75   0.15000  1.0 3.0
   68    66    70    73   0.15000  1.0 3.0
   68    66    70    81   0.23400  1.0 3.0
   68    66    70    75   0.15000  1.0 3.0
   70    73    79    80   0.15000  1.0 3.0
   70    73    79    52   0.07850  1.0 1.0
   70    73    79    52  -0.03950 -1.0 2.0
   70    73    79    52   0.67350  1.0 3.0
   70    73    79    65  -0.26800  1.0 1.0
   70    73    79    65   0.69150 -1.0 2.0
   70    73    79    65  -0.48750  1.0 3.0
   73    70    75    76   0.15000  1.0 3.0
   73    70    75    77   0.15000  1.0 3.0
   73    70    75    78   0.15000  1.0 3.0
   73    79    52    47   0.47050  1.0 1.0
   73    79    52    47   0.03900 -1.0 2.0
   73    79    52    47   0.20100  1.0 3.0
   73    79    52    53   0.15000  1.0 3.0
   73    79    52    55   0.34400  1.0 1.0
   73    79    52    55   0.09450 -1.0 2.0
   73    79    52    55   0.11100  1.0 3.0
   73    79    65    58  -0.25900  1.0 1.0
   73    79    65    58  -0.47000 -1.0 2.0
   73    79    65    58   0.11750  1.0 3.0
   74    73    79    80   0.15000  1.0 3.0
   74    73    79    52   0.15000  1.0 3.0
   74    73    79    65   0.23400  1.0 3.0
   74    73   -81    70   0.36800  1.0 3.0
   79    73   -81    70   0.06250  1.0 1.0
   79    73   -81    70  -0.01100 -1.0 2.0
   79    73   -81    70   0.28050  1.0 3.0
   79    52   -55    58   0.09700  1.0 1.0
   79    52   -55    58   0.15600 -1.0 2.0
   79    52   -55    58  -0.50800  1.0 3.0
   79    52    55    60   0.09850  1.0 1.0
   79    52    55    60   0.15250 -1.0 2.0
   79    52    55    60  -0.50650  1.0 3.0
   80    79    52    47   0.15000  1.0 3.0
   80    79    52    53   0.15000  1.0 3.0
   80    79    52    55   0.15000  1.0 3.0
   80    79    65    58   0.08050  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47    49    54   0.34400  1.0 1.0
   52    47    49    54   0.09450 -1.0 2.0
   52    47    49    54   0.11100  1.0 3.0
   52    79   -65    58  -0.25900  1.0 1.0
   52    79   -65    58  -0.47000 -1.0 2.0
   52    79   -65    58   0.11750  1.0 3.0
   52    55    58    59  -0.64400  1.0 1.0
   52    55    58    59   0.26850 -1.0 2.0
   52    55   -58    65  -0.15000  1.0 1.0
   52    55   -58    65   0.89550 -1.0 2.0
   52    55   -58    65  -0.06900  1.0 3.0
   52    55    60    61   7.00000 -1.0 2.0
   52    55    60    62   7.00000 -1.0 2.0
   53    52    55    58   0.15000  1.0 3.0
   53    52    55    60   0.00000  1.0 1.0
   55    58   -65    79   2.00000 -1.0 2.0
   58    55    60    61   7.00000 -1.0 2.0
   58    55    60    62   7.00000 -1.0 2.0
   59    58    65    79   3.00000 -1.0 2.0
   65    79    52    47   0.62750  1.0 1.0
   65    79    52    47  -0.30950 -1.0 2.0
   65    79    52    47   0.27300  1.0 3.0
   65    79    52    53   0.23400  1.0 3.0
   65    79   -52    55   0.61850  1.0 1.0
   65    79   -52    55  -0.22750 -1.0 2.0
   65    79   -52    55   0.15300  1.0 3.0
   60    55    58    59   1.00000 -1.0 2.0
   60    55    58    65  -0.56150  1.0 1.0
   60    55    58    65   2.19150 -1.0 2.0
   81    70   -73    74   0.23400  1.0 3.0
   81    70   -73    79   0.02550  1.0 1.0
   81    70   -73    79  -0.02600 -1.0 2.0
   81    70   -73    79   1.20400  1.0 3.0
   81    70    75    76   0.23400  1.0 3.0
   81    70    75    77   0.23400  1.0 3.0
   81    70    75    78   0.23400  1.0 3.0
   81    73    79    80   0.23400  1.0 3.0
   81    73    79    52   0.02550  1.0 1.0
   81    73    79    52  -0.02600 -1.0 2.0
   81    73    79    52   1.20400  1.0 3.0
   81    73    79    65   1.11900  1.0 1.0
   81    73    79    65  -1.16350 -1.0 2.0
   81    73    79    65  -0.34150  1.0 3.0
   75    70    73    74   0.15000  1.0 3.0
   75    70    73    79   0.56750  1.0 1.0
   75    70    73    79  -0.07550 -1.0 2.0
   75    70    73    79   0.20000  1.0 3.0
   75    70   -73    81   0.02550  1.0 1.0
   75    70   -73    81  -0.02600 -1.0 2.0
   75    70   -73    81   1.20400  1.0 3.0
   75    70   -81    73   0.06250  1.0 1.0
   75    70   -81    73  -0.01100 -1.0 2.0
   75    70   -81    73   0.28050  1.0 3.0
   69    63    66    67   0.23400  1.0 3.0
   69    63    66    68   0.23400  1.0 3.0
   69    63    66    70  -0.26800  1.0 1.0
   69    63    66    70   0.69150 -1.0 2.0
   69    63    66    70  -0.48750  1.0 3.0
   71    54    56    57   7.00000 -1.0 2.0
   71    54   -56    63   7.00000 -1.0 2.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    46   7.00000 -1.0 2.0
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
   38    30    36    37  10.50000 -1.0 2.0
   33    42    39    40  15.00000 -1.0 2.0
   41    46    40    39  15.00000 -1.0 2.0
   49    71    54    56   1.10000 -1.0 2.0
   63    57    56    54   1.10000 -1.0 2.0
   52    58    55    60   1.10000 -1.0 2.0
   55    65    58    59  10.50000 -1.0 2.0
   61    62    60    55   1.10000 -1.0 2.0
   54    69    71    72  10.50000 -1.0 2.0
END
