* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    164    256     487
    1     0 S   NP   _N1_     1    28.76690    94.46545   -20.97917
    2     1 S   H    _HN1     2     1.02831    30.77203   142.40834
    3     1 S   H    _H1_     3     1.02776    87.52282   -85.14055
    4     1 S   H    _H2_     4     1.02956    92.86717    23.11531
    5     1 S   CT   _CA1     5     1.50191   141.29938   151.31886
    6     5 S   HC   _HA1     6     1.09570   105.17001    54.39968
    7     5 S   CO3  _C1_     7     1.53862   112.34644   -65.63132
    8     7 S   O2Z  _O11     8     1.26391   115.07878   -40.23160
    9     7 S   O2Z  _O12     9     1.26333   115.02066   138.73514
   10     5 S   CT   _CB1    10     1.53095   107.33225   172.30226
   11    10 S   HC   HB11    11     1.09817   109.44654   -48.66714
   12    10 S   HC   HB12    12     1.09817   110.31620    67.88266
   13    10 S   CT   _CG1    13     1.52984   112.72578  -169.74790
   14    13 S   HC   HG11    14     1.09420   110.28218   -60.78879
   15    13 S   HC   HG12    15     1.09625   110.18211    58.28636
   16    13 S   C    _CD1    16     1.51815   112.24070   178.43827
   17    16 S   O    _OE1    17     1.22748   123.11943   -14.03635
   18    16 S   N    _N2_    18     1.38642   111.76278   167.04108
   19    18 S   H    _HN2    19     1.01578   119.01471     0.73035
   20    18 S   CT1  _CA2    20     1.46283   123.41221  -177.89253
   21    20 S   HC   _HA2    21     1.09729   109.37959    -9.64180
   22    20 S   C    _C2_    22     1.53371   108.42923  -125.44759
   23    22 S   O    _O2_    23     1.23025   122.25205  -145.72723
   24    20 S   CT   _CB2    32     1.53491   111.37003   112.29065
   25    24 S   HC   HB21    33     1.09593   109.56098    57.04239
   26    24 S   HC   HB22    34     1.09478   110.54607   176.08769
   27    22 S   N    _N3_    24     1.38516   113.40515    41.62640
   28    27 S   H    _HN3    25     1.01523   118.89210    -0.56545
   29    24 S   S    _SG2    35     1.82532   111.38191   -63.71281
   30    27 S   CT   _CA3    26     1.45432   123.39645   175.27660
   31    30 S   HC   HA31    27     1.09528   109.17209    25.88052
   32    30 S   HC   HA32    28     1.09496   107.14730   142.84857
   33    29 S   CT   _C20    36     1.83536    99.96525   167.83208
   34    33 S   HC   _H7_    37     1.09625   106.19065   -31.95862
   35    30 S   CO3  _C3_    29     1.52913   113.11796   -97.56299
   36    35 S   O2Z  _O31    30     1.26401   115.39561   -45.77246
   37    35 S   O2Z  _O32    31     1.26355   114.99737   135.17415
   38    33 S   CM   _C7_    38     1.54145   110.77755  -148.31095
   39    33 S   CT   _C21    83     1.52943   111.12735    82.89131
   40    39 S   HC   _H26    84     1.09430   113.10476    55.15448
   41    39 S   HC   _H27    85     1.09595   110.77453   -65.39171
   42    39 S   HC   _H28    86     1.09594   110.53493   176.09896
   43    38 S   CMA  _C8_    39     1.37008   124.94817   -68.12893
   44    43 S   OM   _O38    40     1.26912   125.33398     1.58622
   45    38 S   CT   _C6_    67     1.53519   112.17943   116.55498
   46    45 S   HC   _H11    68     1.10003   105.52064    50.43592
   47    45 S   HC   _H12    69     1.09547   112.09222   162.12529
   48    43 S   OS   _O33    41     1.42104   111.30231  -179.67016
   49    48 S   CT   _C9_    42     1.42151   117.08230   170.08783
   50    49 S   HC   _H4_    43     1.10034   110.25928   -44.76124
   51    49 S   CT   _C10    44     1.52145   109.82867  -162.53190
   52    51 S   HC   _H13    45     1.09453   112.14009    69.88431
   53    51 S   HC   _H14    46     1.09685   111.25466   -49.95100
   54    51 S   CT   _C11    47     1.51410   102.46487  -169.42675
   55    54 S   HC   _H15    48     1.09296   114.02004   157.85942
   56    54 S   HC   _H16    49     1.09520   111.56664   -77.32080
   57    54 S   NP   _N4_    50     1.51541   104.50028    37.03443
   58    57 S   H    _H5_    51     1.02876   109.38705  -133.65665
   59    57 S   CT   _C15    52     1.51368   115.32881   102.29897
   60    59 S   HC   _H18    53     1.09413   107.11244   130.76373
   61    59 S   HC   _H19    54     1.09312   109.55432    11.47456
   62    59 S   CM   _C14    55     1.48593   106.32158  -109.98980
   63    62 S   HC   _H17    56     1.08092   123.38881   175.91328
   64    62 S   CM   _C13    57     1.33977   111.88530    -4.24533
   65    64 S   CT   _C16    58     1.48990   125.04393  -177.85452
   66    65 S   HC   _H20    59     1.09609   110.87381    17.89909
   67    65 S   HC   _H21    60     1.09560   110.11177   137.66740
   68    49 S   CT   _C12    81     1.53810   115.74859    81.33661
   69    68 S   HC   _H6_    82     1.09582   111.69143   -91.60230
   70    65 S   OS   _O34    61     1.43220   107.90764  -100.23883
   71    70 S   CO4  _C17    62     1.36242   116.48601  -161.16137
   72    71 S   O    _O35    63     1.22462   125.19823    -4.16626
   73    71 S   CT   _C18    64     1.53583   110.55340   177.14295
   74    73 S   CT   _C5_    65     1.56074   110.49275  -118.46080
   75    74 S   HC   _H3_    66     1.09682   108.77143   -55.08802
   76    73 S   CT   _C19    74     1.54204   106.48002   116.85398
   77    76 S   HC   _H22    75     1.09694   110.23249   -45.90639
   78    76 S   HC   _H23    76     1.09566   111.27064  -163.53749
   79    73 S   OH   _O37    79     1.42966   110.56045     1.51672
   80    79 S   HO   _H25    80     0.97288   107.80689    54.22327
   81    74 S   CT   _C4_    70     1.54160   111.08888  -172.35317
   82    81 S   HC   _H8_    71     1.09502   111.48103   -60.36714
   83    81 S   HC   _H9_    72     1.09582   110.68901   179.53987
   84    81 S   HC   _H10    73     1.09371   111.74648    61.00371
   85    76 S   OH   _O36    77     1.41996   111.67295    75.07394
   86    85 S   HO   _H24    78     0.97526   106.99023  -156.86954
  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   9   5   4   3
  13   7   2   1   1  15   5   2   1   1  10   3  13   5   4  10
  15   8  11   6   5  11   5   4  10   7   8   5   4   8   3   7
   8   4   3   2   1   6  11   4  13  11   6   7   4   3   3   1
   3   2   1   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    48    74    45    46    47    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    48    49    73    74    75    45    46    47    81    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    48    49    50    51    74    45    46    47    68  
   48    49    45  
   46    47    81    82    83    84    76    79    48    71    73    74    75  
   47    81    73    74    75  
   81    73    74    75  
   49    50    51    52    53    54    57    64    68    69  
   50    51    52    53    54    55    56    57    58    59    62    64    65    68    69  
   51    52    53    54    57    64    68    69  
   52    53    54    55    56    57    58    59    64    68    69  
   53    54    55    56    57    68  
   54    55    56    57    68  
   55    56    57    58    59    60    61    62    64    68    69  
   56    57    58    59    68  
   57    58    59    68  
   58    59    60    61    62    63    64    65    68    69  
   59    60    61    62    64    68    69  
   60    61    62    63    64    65    68    69  
   61    62    63    64    68  
   62    63    64    68  
   63    64    65    66    67    70    68    69  
   64    65    68  
   65    66    67    70    71    68    69  
   66    67    70    71    72    73    68    69  
   67    70    71    68  
   70    71    68  
   69    70  
    0  
   71    72    73    74    76    79  
   72    73    74    75    81    76    77    78    85    79    80  
   73    74    76    79  
   74    75    81    82    83    84    76    77    78    85    86    79    80  
   75    81    82    83    84    76    77    78    85    79    80  
   81    82    83    84    76    79  
   77    78    85    86    79    80    81  
   78    85    86    79  
   85    86    79  
   80    81    85  
    0  
   82    83    84  
   83    84  
   84  
    0  
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   58   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    48   440.000  1.360
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    68   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   367.000  1.471
   57    58   434.000  1.010
   57    59   367.000  1.471
   57    68   367.000  1.471
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   317.000  1.510
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   317.000  1.510
   64    68   317.000  1.510
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    79   320.000  1.410
   74    75   340.000  1.090
   74    45   268.000  1.529
   74    81   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    85   320.000  1.410
   85    86   553.000  0.945
   79    80   553.000  0.945
   68    69   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    48    80.00000  120.01400
   38    45    74    70.00000  112.02700
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   43    48    49    90.00000  111.18400
   48    43    44    65.00000  121.00000
   48    49    50    35.00000  109.50000
   48    49    51    50.00000  109.50000
   48    49    68    50.00000  109.50000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    58.35000  112.70000
   49    68    57    80.00000  111.20000
   49    68    64    70.00000  112.02700
   49    68    69    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    80.00000  111.20000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    57    58    35.00000  109.50000
   54    57    59    75.00000  113.01200
   54    57    68    75.00000  113.01200
   56    54    55    33.00000  107.80000
   57    54    55    35.00000  109.50000
   57    54    56    35.00000  109.50000
   57    59    60    35.00000  109.50000
   57    59    61    35.00000  109.50000
   57    59    62    75.00000  110.06800
   57    68    64    75.00000  110.06800
   57    68    69    35.00000  109.50000
   59    57    58    35.00000  109.50000
   59    62    63    35.00000  117.00000
   59    62    64    70.00000  124.00000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    70.00000  124.00000
   62    64    68    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  109.50000
   64    65    67    35.00000  109.50000
   64    65    70    85.00000  110.90400
   64    68    69    35.00000  109.50000
   65    70    71    83.00000  116.90000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   70    71    72    83.00000  123.40000
   70    71    73    81.00000  111.40000
   71    73    74    63.00000  111.10000
   71    73    76    63.00000  111.10000
   71    73    79    90.00000  109.61100
   73    71    72    80.00000  120.40000
   73    74    75    37.50000  110.70000
   73    74    45    58.35000  112.70000
   73    74    81    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    85    50.00000  109.50000
   73    79    80    55.00000  108.50000
   74    45    46    37.50000  110.70000
   74    45    47    37.50000  110.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    37.50000  110.70000
   45    38    43    70.00000  124.00000
   45    74    75    37.50000  110.70000
   47    45    46    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    45    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    73    74    58.35000  112.70000
   76    85    86    55.00000  108.50000
   78    76    77    33.00000  107.80000
   85    76    77    35.00000  109.50000
   85    76    78    35.00000  109.50000
   79    73    74    50.00000  109.50000
   79    73    76    50.00000  109.50000
   68    49    50    37.50000  110.70000
   68    49    51    58.35000  112.70000
   68    57    58    35.00000  109.50000
   68    57    59    75.00000  113.01200
   68    64    65    65.00000  117.92700
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    48   7.00000 -1.0 2.0
   33    38    45    74   0.46850  1.0 1.0
   33    38    45    74   0.08550 -1.0 2.0
   33    38    45    74   0.09800  1.0 3.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    48    49  -2.26850  1.0 1.0
   38    43    48    49   3.39050 -1.0 2.0
   43    38    45    74   0.09850  1.0 1.0
   43    38    45    74   0.15250 -1.0 2.0
   43    38    45    74  -0.50650  1.0 3.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    48    49    50   0.08050  1.0 3.0
   43    48    49    51  -0.46850  1.0 1.0
   43    48    49    51   0.09300 -1.0 2.0
   43    48    49    51  -0.12850  1.0 3.0
   43    48    49    68  -0.46850  1.0 1.0
   43    48    49    68   0.09300 -1.0 2.0
   43    48    49    68  -0.12850  1.0 3.0
   44    43    48    49   2.00000 -1.0 2.0
   48    49    51    52   0.23400  1.0 3.0
   48    49    51    53   0.23400  1.0 3.0
   48    49    51    54   0.62750  1.0 1.0
   48    49    51    54  -0.30950 -1.0 2.0
   48    49    51    54   0.27300  1.0 3.0
   48    49    68    57   1.69300  1.0 1.0
   48    49    68    57  -0.48450 -1.0 2.0
   48    49    68    64   0.61850  1.0 1.0
   48    49    68    64  -0.22750 -1.0 2.0
   48    49    68    64   0.15300  1.0 3.0
   48    49    68    69   0.23400  1.0 3.0
   49    51    54    55   0.15000  1.0 3.0
   49    51    54    56   0.15000  1.0 3.0
   49    51   -54    57   1.36600  1.0 1.0
   49    51   -54    57  -0.11450 -1.0 2.0
   49    51   -54    57   0.24250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.15000  1.0 3.0
   50    49    68    57   0.19200  1.0 3.0
   50    49    68    64   0.15000  1.0 3.0
   50    49    68    69   0.15000  1.0 3.0
   51    49   -68    57   1.36600  1.0 1.0
   51    49   -68    57  -0.11450 -1.0 2.0
   51    49   -68    57   0.24250  1.0 3.0
   51    49    68    64   0.34400  1.0 1.0
   51    49    68    64   0.09450 -1.0 2.0
   51    49    68    64   0.11100  1.0 3.0
   51    49    68    69   0.15000  1.0 3.0
   51    54    57    58   0.17350  1.0 3.0
   51    54    57    59   0.47100  1.0 1.0
   51    54   -57    68   0.47100  1.0 1.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.19200  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.19200  1.0 3.0
   54    57    59    60   0.15000  1.0 3.0
   54    57    59    61   0.15000  1.0 3.0
   54    57    59    62   0.08000 -1.0 2.0
   54    57   -68    49   0.47100  1.0 1.0
   54    57    68    64   0.08000 -1.0 2.0
   54    57    68    69   0.15000  1.0 3.0
   55    54    57    58   0.13050  1.0 3.0
   55    54    57    59   0.15000  1.0 3.0
   55    54    57    68   0.15000  1.0 3.0
   56    54    57    58   0.13050  1.0 3.0
   56    54    57    59   0.15000  1.0 3.0
   56    54    57    68   0.15000  1.0 3.0
   57    59    62    63   0.00000  1.0 1.0
   57    59   -62    64   0.80850  1.0 1.0
   57    59   -62    64  -0.47300 -1.0 2.0
   57    59   -62    64  -0.52300  1.0 3.0
   58    57    59    60   0.13050  1.0 3.0
   58    57    59    61   0.13050  1.0 3.0
   58    57    59    62   0.17350  1.0 3.0
   58    57    68    49   0.17350  1.0 3.0
   58    57    68    64   0.17350  1.0 3.0
   58    57    68    69   0.13050  1.0 3.0
   59    57    68    49   0.47100  1.0 1.0
   59    57   -68    64   0.08000 -1.0 2.0
   59    57    68    69   0.15000  1.0 3.0
   59    62    64    65   7.00000 -1.0 2.0
   59    62   -64    68   7.00000 -1.0 2.0
   60    59    62    63   0.33100  1.0 3.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.33100  1.0 3.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    65    66   0.00000  1.0 1.0
   62    64    65    67   0.00000  1.0 1.0
   62    64    65    70   0.39000  1.0 1.0
   62    64    65    70  -0.05800 -1.0 2.0
   62    64    65    70  -0.55150  1.0 3.0
   62    64    68    49   0.09850  1.0 1.0
   62    64    68    49   0.15250 -1.0 2.0
   62    64    68    49  -0.50650  1.0 3.0
   62    64   -68    57   0.80850  1.0 1.0
   62    64   -68    57  -0.47300 -1.0 2.0
   62    64   -68    57  -0.52300  1.0 3.0
   62    64    68    69   0.00000  1.0 1.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    68   7.00000 -1.0 2.0
   64    65    70    71  -0.82050  1.0 1.0
   64    65    70    71   0.00600 -1.0 2.0
   64    65    70    71   0.04400  1.0 3.0
   65    64    68    49   0.46850  1.0 1.0
   65    64    68    49   0.08550 -1.0 2.0
   65    64    68    49   0.09800  1.0 3.0
   65    64    68    57   0.52100  1.0 1.0
   65    64    68    57  -0.20350 -1.0 2.0
   65    64    68    57   0.29750  1.0 3.0
   65    64    68    69   0.34800  1.0 3.0
   65    70    71    72   3.00000 -1.0 2.0
   65    70    71    73   1.63150  1.0 1.0
   65    70    71    73   2.92000 -1.0 2.0
   66    65    70    71   0.08050  1.0 3.0
   67    65    70    71   0.08050  1.0 3.0
   70    71    73    74   0.36750  1.0 3.0
   70    71    73    76   0.36750  1.0 3.0
   70    71    73    79   0.30750  1.0 1.0
   70    71    73    79   1.13850 -1.0 2.0
   70    71    73    79   0.38850  1.0 3.0
   71    73    74    75  -0.11250  1.0 3.0
   71    73    74    45  -0.95700  1.0 1.0
   71    73    74    45  -0.18200 -1.0 2.0
   71    73    74    45   0.29450  1.0 3.0
   71    73    74    81  -0.95700  1.0 1.0
   71    73    74    81  -0.18200 -1.0 2.0
   71    73    74    81   0.29450  1.0 3.0
   71    73    76    77  -0.11250  1.0 3.0
   71    73    76    78  -0.11250  1.0 3.0
   71    73    76    85  -0.09450  1.0 1.0
   71    73    76    85  -1.12950 -1.0 2.0
   71    73    76    85   0.54000  1.0 3.0
   71    73    79    80   0.91850  1.0 1.0
   71    73    79    80   0.57950  1.0 3.0
   72    71    73    74   0.30150 -1.0 2.0
   72    71    73    76   0.30150 -1.0 2.0
   72    71    73    79   0.30150 -1.0 2.0
   73    74    45    38   0.34400  1.0 1.0
   73    74    45    38   0.09450 -1.0 2.0
   73    74    45    38   0.11100  1.0 3.0
   73    74    45    46   0.15000  1.0 3.0
   73    74    45    47   0.15000  1.0 3.0
   73    74    81    82   0.15000  1.0 3.0
   73    74    81    83   0.15000  1.0 3.0
   73    74    81    84   0.15000  1.0 3.0
   73    76    85    86  -0.11600  1.0 1.0
   73    76    85    86  -0.09450 -1.0 2.0
   73    76    85    86   0.21250  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    85   0.86500  1.0 1.0
   74    73    76    85  -0.17500 -1.0 2.0
   74    73    76    85   0.20800  1.0 3.0
   74    73    79    80  -0.11600  1.0 1.0
   74    73    79    80  -0.09450 -1.0 2.0
   74    73    79    80   0.21250  1.0 3.0
   75    74    45    38   0.15000  1.0 3.0
   75    74    45    46   0.15000  1.0 3.0
   75    74    45    47   0.15000  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    48   7.00000 -1.0 2.0
   45    74    81    82   0.15000  1.0 3.0
   45    74    81    83   0.15000  1.0 3.0
   45    74    81    84   0.15000  1.0 3.0
   81    74    45    38   0.34400  1.0 1.0
   81    74    45    38   0.09450 -1.0 2.0
   81    74    45    38   0.11100  1.0 3.0
   81    74    45    46   0.15000  1.0 3.0
   81    74    45    47   0.15000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    45   0.56750  1.0 1.0
   76    73    74    45  -0.07550 -1.0 2.0
   76    73    74    45   0.20000  1.0 3.0
   76    73    74    81   0.56750  1.0 1.0
   76    73    74    81  -0.07550 -1.0 2.0
   76    73    74    81   0.20000  1.0 3.0
   76    73    79    80  -0.11600  1.0 1.0
   76    73    79    80  -0.09450 -1.0 2.0
   76    73    79    80   0.21250  1.0 3.0
   77    76    85    86   0.19450  1.0 3.0
   78    76    85    86   0.19450  1.0 3.0
   79    73    74    75   0.23400  1.0 3.0
   79    73    74    45   0.86500  1.0 1.0
   79    73    74    45  -0.17500 -1.0 2.0
   79    73    74    45   0.20800  1.0 3.0
   79    73    74    81   0.86500  1.0 1.0
   79    73    74    81  -0.17500 -1.0 2.0
   79    73    74    81   0.20800  1.0 3.0
   79    73    76    77   0.23400  1.0 3.0
   79    73    76    78   0.23400  1.0 3.0
   79    73    76    85   3.75450  1.0 1.0
   68    49    51    52   0.15000  1.0 3.0
   68    49    51    53   0.15000  1.0 3.0
   68    49   -51    54   0.56750  1.0 1.0
   68    49   -51    54  -0.07550 -1.0 2.0
   68    49   -51    54   0.20000  1.0 3.0
   68    57    59    60   0.15000  1.0 3.0
   68    57    59    61   0.15000  1.0 3.0
   68    57   -59    62   0.08000 -1.0 2.0
   68    64    65    66   0.34800  1.0 3.0
   68    64    65    67   0.34800  1.0 3.0
   68    64    65    70   0.09700  1.0 1.0
   68    64    65    70   0.15600 -1.0 2.0
   68    64    65    70  -0.50800  1.0 3.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43   1.10000 -1.0 2.0
   44    48    43    38   1.10000 -1.0 2.0
   59    63    62    64   1.10000 -1.0 2.0
   65    68    64    62   1.10000 -1.0 2.0
   70    73    71    72  10.50000 -1.0 2.0
END
