* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    255     472
    1     0 S   NP   _N1_     1    28.70096    95.69195   -20.23506
    2     1 S   H    _HN1     2     1.02781    87.25343   -85.01928
    3     1 S   H    _H1_     3     1.02949    80.75607    24.09341
    4     1 S   H    _H2_     4     1.02831    41.24337   153.57244
    5     1 S   CT   _CA1     5     1.50096   151.43851   140.21405
    6     5 S   HC   _HA1     6     1.09574   105.19981    68.48162
    7     5 S   CO3  _C1_     7     1.53715   112.57027   -51.72731
    8     7 S   O2Z  _O11     8     1.26371   114.99919   -40.55807
    9     7 S   O2Z  _O12     9     1.26247   114.93373   138.70709
   10     5 S   CT   _CB1    10     1.53076   107.45926  -173.52646
   11    10 S   HC   HB11    11     1.09825   109.25641   -50.35412
   12    10 S   HC   HB12    12     1.09819   110.46974    66.23389
   13    10 S   CT   _CG1    13     1.52984   112.64898  -171.42531
   14    13 S   HC   HG11    14     1.09601   110.51875   -66.94329
   15    13 S   HC   HG12    15     1.09669   109.88076    52.30082
   16    13 S   C    _CD1    16     1.51793   112.32166   172.67298
   17    16 S   O    _OE1    17     1.22715   123.31676     4.32046
   18    16 S   N    _N2_    18     1.38588   111.56524  -175.84084
   19    18 S   H    _HN2    19     1.01596   118.92525     1.06330
   20    18 S   CT1  _CA2    20     1.46283   123.50601   178.56619
   21    20 S   HC   _HA2    21     1.09733   109.44505    -8.23096
   22    20 S   C    _C2_    22     1.53412   108.26948  -123.71642
   23    22 S   O    _O2_    23     1.23021   122.42379  -147.65476
   24    20 S   CT   _CB2    32     1.53253   111.20260   114.03401
   25    24 S   HC   HB21    33     1.09436   109.47717    54.11329
   26    24 S   HC   HB22    34     1.09508   110.77510   172.83437
   27    22 S   N    _N3_    24     1.38378   113.44078    39.82506
   28    27 S   H    _HN3    25     1.01636   119.50180    -3.50671
   29    24 S   S    _SG2    35     1.82800   111.16684   -67.91835
   30    27 S   CT   _CA3    26     1.45282   123.15114   177.00971
   31    30 S   HC   HA31    27     1.09551   107.52823   -63.92132
   32    30 S   HC   HA32    28     1.09558   107.95188    52.49570
   33    29 S   CT   _C9_    36     1.83890   100.33096   156.20910
   34    33 S   HC   _H4_    37     1.09760   106.78876   167.42177
   35    30 S   CO3  _C3_    29     1.52940   114.11175   174.48040
   36    35 S   O2Z  _O31    30     1.26371   116.05516    -0.65909
   37    35 S   O2Z  _O32    31     1.26428   114.41436   179.39932
   38    33 S   CT   _C10    38     1.54370   112.47013   -72.93090
   39    38 S   HC   _H5_    39     1.09637   111.50698    74.25801
   40    33 S   OS   _O35    71     1.43405   110.62741    47.42319
   41    38 S   CO4  _C20    40     1.50960   107.74863  -167.93005
   42    41 S   O    _O37    41     1.22203   125.48335   -73.94751
   43    40 S   CO   _C7_    72     1.42318   113.68505    97.46493
   44    43 S   HC   _H3_    73     1.09623   110.82108    54.81787
   45    41 S   OS   _O36    42     1.36154   110.48272   103.53194
   46    43 S   CM   _C6_    74     1.47709   108.44596   176.38410
   47    46 S   HC   _H11    75     1.08074   123.78001   -59.66711
   48    45 S   CT   _C19    43     1.44203   111.50060     4.59231
   49    48 S   HC   _H7_    44     1.09405   107.35155  -108.67801
   50    46 S   CM   _C5_    76     1.33035   111.47539   120.23148
   51    38 S   CT   _C11    45     1.52283   115.87462   -54.81711
   52    51 S   HC   _H6_    46     1.09301   114.61234    31.91827
   53    50 S   CO4  _C8_    77     1.46723   106.34726     0.03956
   54    53 S   O    _O34    78     1.21877   125.50747  -179.80317
   55    50 S   CT   _C4_    80     1.47816   130.00975  -179.81869
   56    55 S   HC   _H8_    81     1.09449   110.52624   119.97671
   57    55 S   HC   _H9_    82     1.09480   111.42666    -0.00000
   58    55 S   HC   _H10    83     1.09448   110.52723  -120.00431
   59    51 S   CM   _C12    47     1.50433   114.20420   156.46711
   60    59 S   HC   _H12    48     1.08140   123.45605   -60.03542
   61    43 S   OS   _O33    79     1.43068   113.42567   -69.14217
   62    59 S   CM   _C13    49     1.33804   111.55033   128.27009
   63    62 S   CT   _C14    50     1.48976   127.90447   167.50071
   64    63 S   HC   _H13    51     1.09597   111.29185     4.26967
   65    63 S   HC   _H14    52     1.09570   109.77927   122.36733
   66    63 S   CT   _C15    53     1.53235   109.28632  -116.78748
   67    66 S   HC   _H15    54     1.09563   109.18532    74.84279
   68    66 S   HC   _H16    55     1.09638   109.31294  -169.42973
   69    66 S   CT   _C16    56     1.53886   113.67581   -46.98808
   70    69 S   HC   _H17    57     1.09771   108.69303   173.95924
   71    69 S   HC   _H18    58     1.09761   108.27916   -71.61500
   72    69 S   CT   _C17    59     1.56427   114.00236    50.95651
   73    48 S   CT   _C18    60     1.54898   110.81353   126.64589
   74    72 S   CT   _C21    63     1.54643   109.03359    70.63914
   75    74 S   HC   _H20    64     1.09509   111.47675   174.44250
   76    74 S   HC   _H21    65     1.09642   110.79102    55.47517
   77    74 S   HC   _H22    66     1.09371   112.62906   -64.39356
   78    72 S   CT   _C22    67     1.54463   107.90302  -173.11635
   79    78 S   HC   _H23    68     1.09502   111.39869   179.29224
   80    78 S   HC   _H24    69     1.09528   111.83076    58.62950
   81    78 S   HC   _H25    70     1.09623   110.97053   -60.94076
   82    73 S   OH   _O38    61     1.43034   108.50976    22.02155
   83    82 S   HO   _H19    62     0.97037   109.20227  -166.44181
  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   8   5   4   3
  15   6   2   1   1  14   8   9   8   3   8   5   9   9   4  14
   7   7   8   4   6   2   4   2   1   1   9   3   1  13  11   6
   5   9   5   4  13   5   4  11  10   8   3   2   1   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    51    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    45    48    51    52    59    40    43    44    46    61  
   38    39    41    51    40    43  
   36    37  
   37  
    0  
   39    41    42    45    48    49    51    52    59    60    62    73    40    43  
   41    42    45    48    51    52    59    40  
   43    44    46    47    50    53    61    41    51  
   42    45    48    49    51    52    59    73  
   45    48    51  
   44    46    47    50    53    54    61    55  
   46    47    50    53    61  
   48    49    51    52    59    62    72    73    82  
   47    50    53    54    61    55    56    57    58  
   50    53    61    55  
   49    51    52    59    60    62    63    69    72    73    82    83    74    78  
   51    52    59    62    72    73    82  
   53    54    61    55    56    57    58  
   52    59    60    62    63    72    73    82  
   59    60    62    73  
   54    61    55    56    57    58  
   61    55  
   56    57    58    61  
   57    58  
   58  
    0  
   60    62    63    64    65    66    72    73    82  
   62    63    73  
    0  
   63    64    65    66    67    68    69    72    73    82    83    74    78  
   64    65    66    67    68    69    70    71    72    73    82  
   65    66    67    68    69    73  
   66    67    68    69    73  
   67    68    69    70    71    72    73    74    78  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    82    74    75    76    77    78    79    80    81  
   71    72    73    74    78  
   72    73    74    78  
   73    82    83    74    75    76    77    78    79    80    81  
   82    83    74    75    76    77    78    79    80    81  
   75    76    77    78    79    80    81    82  
   76    77    78  
   77    78  
   78  
   79    80    81    82  
   80    81  
   81  
    0  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   45   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    41   317.000  1.522
   38    51   268.000  1.529
   41    42   570.000  1.229
   41    45   214.000  1.327
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    73   268.000  1.529
   51    52   340.000  1.090
   51    59   317.000  1.510
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   317.000  1.510
   62    73   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   268.000  1.529
   72    78   268.000  1.529
   73    82   320.000  1.410
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    46   317.000  1.510
   43    61   320.000  1.380
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    53   320.000  1.462
   50    55   317.000  1.510
   53    54   570.000  1.229
   53    61   214.000  1.327
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    38    51    58.35000  112.70000
   33    40    43    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    45    81.00000  111.40000
   38    51    48    58.35000  112.70000
   38    51    52    37.50000  110.70000
   38    51    59    70.00000  112.02700
   41    38    39    35.00000  109.50000
   41    45    48    83.00000  116.90000
   45    41    42    83.00000  123.40000
   45    48    49    35.00000  109.50000
   45    48    51    50.00000  109.50000
   45    48    73    50.00000  109.50000
   48    51    52    37.50000  110.70000
   48    51    59    70.00000  112.02700
   48    73    62    70.00000  112.02700
   48    73    72    58.35000  112.70000
   48    73    82    50.00000  109.50000
   51    38    39    37.50000  110.70000
   51    38    41    63.00000  111.10000
   51    48    49    37.50000  110.70000
   51    59    60    35.00000  117.00000
   51    59    62    70.00000  124.00000
   59    51    52    35.00000  109.50000
   59    62    63    70.00000  124.00000
   59    62    73    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    66    70.00000  112.02700
   62    73    72    70.00000  112.02700
   62    73    82    90.00000  110.39200
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    58.35000  112.70000
   69    72    78    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    82    50.00000  109.50000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    77    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    80    37.50000  110.70000
   72    78    81    37.50000  110.70000
   73    48    49    37.50000  110.70000
   73    48    51    58.35000  112.70000
   73    62    63    65.00000  117.92700
   73    82    83    55.00000  108.50000
   74    72    73    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    72    73    58.35000  112.70000
   78    72    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   40    33    34    35.00000  109.50000
   40    33    38    50.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    46    85.00000  110.90400
   40    43    61    92.60000  111.55000
   43    46    47    35.00000  117.00000
   43    46    50    70.00000  124.00000
   43    61    53    95.00000  111.08000
   46    43    44    35.00000  109.50000
   46    50    53    65.00000  118.96000
   46    50    55    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    53    54    80.00000  123.72100
   50    53    61    90.00000  111.29400
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   61    43    44    35.00000  109.50000
   61    43    46    85.00000  110.90400
   61    53    54    83.00000  123.40000
   55    50    53    65.00000  116.34900
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    38    51   0.44750  1.0 1.0
   29    33    38    51  -0.17800 -1.0 2.0
   29    33    38    51   0.20200  1.0 3.0
   29    33    40    43   0.14700  1.0 1.0
   29    33    40    43  -1.16150 -1.0 2.0
   29    33    40    43   0.48700  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.36750  1.0 3.0
   33    38    51    48   0.56750  1.0 1.0
   33    38    51    48  -0.07550 -1.0 2.0
   33    38    51    48   0.20000  1.0 3.0
   33    38    51    52   0.15000  1.0 3.0
   33    38    51    59   0.34400  1.0 1.0
   33    38    51    59   0.09450 -1.0 2.0
   33    38    51    59   0.11100  1.0 3.0
   33    40    43    44   0.37050  1.0 3.0
   33    40    43    46  -0.77900  1.0 1.0
   33    40    43    46  -0.36900 -1.0 2.0
   33    40    43    46   0.40400  1.0 3.0
   33    40    43    61  -0.53350  1.0 1.0
   33    40    43    61  -0.78350 -1.0 2.0
   33    40    43    61   0.33750  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    38    51   0.15000  1.0 3.0
   34    33    40    43   0.37050  1.0 3.0
   38    33    40    43   0.06250  1.0 1.0
   38    33    40    43  -0.01100 -1.0 2.0
   38    33    40    43   0.28050  1.0 3.0
   38    41   -45    48   1.63150  1.0 1.0
   38    41   -45    48   2.92000 -1.0 2.0
   38    51    59    60   0.00000  1.0 1.0
   38    51    59    62   0.09850  1.0 1.0
   38    51    59    62   0.15250 -1.0 2.0
   38    51    59    62  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   39    38    51    48   0.15000  1.0 3.0
   39    38    51    52   0.15000  1.0 3.0
   39    38    51    59   0.15000  1.0 3.0
   41    38   -51    48  -0.95700  1.0 1.0
   41    38   -51    48  -0.18200 -1.0 2.0
   41    38   -51    48   0.29450  1.0 3.0
   41    38    51    52  -0.11250  1.0 3.0
   41    38    51    59  -0.98800  1.0 1.0
   41    38    51    59   0.48800 -1.0 2.0
   41    38    51    59   0.76800  1.0 3.0
   41    45    48    49   0.08050  1.0 3.0
   41    45   -48    51  -0.25900  1.0 1.0
   41    45   -48    51  -0.47000 -1.0 2.0
   41    45   -48    51   0.11750  1.0 3.0
   41    45    48    73  -0.25900  1.0 1.0
   41    45    48    73  -0.47000 -1.0 2.0
   41    45    48    73   0.11750  1.0 3.0
   42    41    45    48   3.00000 -1.0 2.0
   45    48   -51    38   0.62750  1.0 1.0
   45    48   -51    38  -0.30950 -1.0 2.0
   45    48   -51    38   0.27300  1.0 3.0
   45    48    51    52   0.23400  1.0 3.0
   45    48    51    59   0.61850  1.0 1.0
   45    48    51    59  -0.22750 -1.0 2.0
   45    48    51    59   0.15300  1.0 3.0
   45    48    73    62   0.61850  1.0 1.0
   45    48    73    62  -0.22750 -1.0 2.0
   45    48    73    62   0.15300  1.0 3.0
   45    48    73    72   0.62750  1.0 1.0
   45    48    73    72  -0.30950 -1.0 2.0
   45    48    73    72   0.27300  1.0 3.0
   45    48    73    82   3.69350  1.0 1.0
   45    48    73    82  -1.82950 -1.0 2.0
   48    51    59    60   0.00000  1.0 1.0
   48    51   -59    62   0.09850  1.0 1.0
   48    51   -59    62   0.15250 -1.0 2.0
   48    51   -59    62  -0.50650  1.0 3.0
   48    73    82    83  -0.11600  1.0 1.0
   48    73    82    83  -0.09450 -1.0 2.0
   48    73    82    83   0.21250  1.0 3.0
   49    48    51    38   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   49    48    73    62   0.15000  1.0 3.0
   49    48    73    72   0.15000  1.0 3.0
   49    48    73    82   0.23400  1.0 3.0
   51    38    41    42   0.30150 -1.0 2.0
   51    38   -41    45   0.36750  1.0 3.0
   51    48   -73    62   0.34400  1.0 1.0
   51    48   -73    62   0.09450 -1.0 2.0
   51    48   -73    62   0.11100  1.0 3.0
   51    48    73    72   0.56750  1.0 1.0
   51    48    73    72  -0.07550 -1.0 2.0
   51    48    73    72   0.20000  1.0 3.0
   51    48    73    82   0.86500  1.0 1.0
   51    48    73    82  -0.17500 -1.0 2.0
   51    48    73    82   0.20800  1.0 3.0
   51    59    62    63   7.00000 -1.0 2.0
   51    59   -62    73   7.00000 -1.0 2.0
   52    51    59    60   0.33100  1.0 3.0
   52    51    59    62   0.00000  1.0 1.0
   59    62    63    64   0.00000  1.0 1.0
   59    62    63    65   0.00000  1.0 1.0
   59    62    63    66   0.09850  1.0 1.0
   59    62    63    66   0.15250 -1.0 2.0
   59    62    63    66  -0.50650  1.0 3.0
   59    62   -73    48   0.09850  1.0 1.0
   59    62   -73    48   0.15250 -1.0 2.0
   59    62   -73    48  -0.50650  1.0 3.0
   59    62    73    72   0.09850  1.0 1.0
   59    62    73    72   0.15250 -1.0 2.0
   59    62    73    72  -0.50650  1.0 3.0
   59    62    73    82   0.67800  1.0 1.0
   59    62    73    82   0.47050 -1.0 2.0
   59    62    73    82  -0.62500  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    73   7.00000 -1.0 2.0
   62    63    66    67   0.15000  1.0 3.0
   62    63    66    68   0.15000  1.0 3.0
   62    63    66    69   0.34400  1.0 1.0
   62    63    66    69   0.09450 -1.0 2.0
   62    63    66    69   0.11100  1.0 3.0
   62    73    82    83  -0.07800  1.0 1.0
   62    73    82    83  -0.21500 -1.0 2.0
   62    73    82    83  -0.03150  1.0 3.0
   63    62    73    48   0.46850  1.0 1.0
   63    62    73    48   0.08550 -1.0 2.0
   63    62    73    48   0.09800  1.0 3.0
   63    62    73    72   0.46850  1.0 1.0
   63    62    73    72   0.08550 -1.0 2.0
   63    62    73    72   0.09800  1.0 3.0
   63    62    73    82   0.18000  1.0 1.0
   63    62    73    82   0.16450 -1.0 2.0
   63    62    73    82   0.04450  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66   -69    72   0.56750  1.0 1.0
   63    66   -69    72  -0.07550 -1.0 2.0
   63    66   -69    72   0.20000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    72    73   0.56750  1.0 1.0
   66    69    72    73  -0.07550 -1.0 2.0
   66    69    72    73   0.20000  1.0 3.0
   66    69    72    74   0.56750  1.0 1.0
   66    69    72    74  -0.07550 -1.0 2.0
   66    69    72    74   0.20000  1.0 3.0
   66    69    72    78   0.56750  1.0 1.0
   66    69    72    78  -0.07550 -1.0 2.0
   66    69    72    78   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    73    48   0.56750  1.0 1.0
   69    72    73    48  -0.07550 -1.0 2.0
   69    72    73    48   0.20000  1.0 3.0
   69    72   -73    62   0.34400  1.0 1.0
   69    72   -73    62   0.09450 -1.0 2.0
   69    72   -73    62   0.11100  1.0 3.0
   69    72    73    82   0.86500  1.0 1.0
   69    72    73    82  -0.17500 -1.0 2.0
   69    72    73    82   0.20800  1.0 3.0
   69    72    74    75   0.15000  1.0 3.0
   69    72    74    76   0.15000  1.0 3.0
   69    72    74    77   0.15000  1.0 3.0
   69    72    78    79   0.15000  1.0 3.0
   69    72    78    80   0.15000  1.0 3.0
   69    72    78    81   0.15000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    78   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    78   0.15000  1.0 3.0
   72    73    82    83  -0.11600  1.0 1.0
   72    73    82    83  -0.09450 -1.0 2.0
   72    73    82    83   0.21250  1.0 3.0
   73    48    51    38   0.56750  1.0 1.0
   73    48    51    38  -0.07550 -1.0 2.0
   73    48    51    38   0.20000  1.0 3.0
   73    48    51    52   0.15000  1.0 3.0
   73    48   -51    59   0.34400  1.0 1.0
   73    48   -51    59   0.09450 -1.0 2.0
   73    48   -51    59   0.11100  1.0 3.0
   73    62    63    64   0.34800  1.0 3.0
   73    62    63    65   0.34800  1.0 3.0
   73    62   -63    66   0.46850  1.0 1.0
   73    62   -63    66   0.08550 -1.0 2.0
   73    62   -63    66   0.09800  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    77   0.15000  1.0 3.0
   73    72    78    79   0.15000  1.0 3.0
   73    72    78    80   0.15000  1.0 3.0
   73    72    78    81   0.15000  1.0 3.0
   74    72    73    48   0.56750  1.0 1.0
   74    72    73    48  -0.07550 -1.0 2.0
   74    72    73    48   0.20000  1.0 3.0
   74    72    73    62   0.34400  1.0 1.0
   74    72    73    62   0.09450 -1.0 2.0
   74    72    73    62   0.11100  1.0 3.0
   74    72    73    82   0.86500  1.0 1.0
   74    72    73    82  -0.17500 -1.0 2.0
   74    72    73    82   0.20800  1.0 3.0
   74    72    78    79   0.15000  1.0 3.0
   74    72    78    80   0.15000  1.0 3.0
   74    72    78    81   0.15000  1.0 3.0
   78    72    73    48   0.56750  1.0 1.0
   78    72    73    48  -0.07550 -1.0 2.0
   78    72    73    48   0.20000  1.0 3.0
   78    72    73    62   0.34400  1.0 1.0
   78    72    73    62   0.09450 -1.0 2.0
   78    72    73    62   0.11100  1.0 3.0
   78    72    73    82   0.86500  1.0 1.0
   78    72    73    82  -0.17500 -1.0 2.0
   78    72    73    82   0.20800  1.0 3.0
   78    72    74    75   0.15000  1.0 3.0
   78    72    74    76   0.15000  1.0 3.0
   78    72    74    77   0.15000  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    41  -0.09450  1.0 1.0
   40    33    38    41  -1.12950 -1.0 2.0
   40    33    38    41   0.54000  1.0 3.0
   40    33    38    51   0.62750  1.0 1.0
   40    33    38    51  -0.30950 -1.0 2.0
   40    33    38    51   0.27300  1.0 3.0
   40    43    46    47   0.00000  1.0 1.0
   40    43    46    50   0.39000  1.0 1.0
   40    43    46    50  -0.05800 -1.0 2.0
   40    43    46    50  -0.55150  1.0 3.0
   40    43    61    53  -1.83450  1.0 1.0
   40    43    61    53  -0.02700 -1.0 2.0
   40    43    61    53  -0.20100  1.0 3.0
   43    46   -50    53   7.00000 -1.0 2.0
   43    46    50    55   7.00000 -1.0 2.0
   44    43    46    47   0.33100  1.0 3.0
   44    43    46    50   0.00000  1.0 1.0
   44    43    61    53   0.08050  1.0 3.0
   46    43   -61    53  -0.82050  1.0 1.0
   46    43   -61    53   0.00600 -1.0 2.0
   46    43   -61    53   0.04400  1.0 3.0
   46    50    53    54   1.00000 -1.0 2.0
   46    50   -53    61  -0.56150  1.0 1.0
   46    50   -53    61   2.19150 -1.0 2.0
   46    50    55    56   0.00000  1.0 1.0
   46    50    55    57   0.00000  1.0 1.0
   46    50    55    58   0.00000  1.0 1.0
   47    46    50    53   7.00000 -1.0 2.0
   47    46    50    55   7.00000 -1.0 2.0
   50    53   -61    43   2.00000 -1.0 2.0
   53    50    55    56   0.15000  1.0 3.0
   53    50    55    57   0.15000  1.0 3.0
   53    50    55    58   0.15000  1.0 3.0
   54    53    61    43   3.00000 -1.0 2.0
   61    43    46    47   0.00000  1.0 1.0
   61    43   -46    50   0.39000  1.0 1.0
   61    43   -46    50  -0.05800 -1.0 2.0
   61    43   -46    50  -0.55150  1.0 3.0
   55    50    53    54  -0.64400  1.0 1.0
   55    50    53    54   0.26850 -1.0 2.0
   55    50    53    61  -0.15000  1.0 1.0
   55    50    53    61   0.89550 -1.0 2.0
   55    50    53    61  -0.06900  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
   38    45    41    42  10.50000 -1.0 2.0
   51    60    59    62   1.10000 -1.0 2.0
   63    73    62    59   1.10000 -1.0 2.0
   43    47    46    50   1.10000 -1.0 2.0
   53    55    50    46   1.10000 -1.0 2.0
   50    61    53    54  10.50000 -1.0 2.0
END
