* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    243     449
    1     0 S   NP   _N1_     1    28.67554    95.52094   -22.92996
    2     1 S   H    _HN1     2     1.02951    79.49560    14.77353
    3     1 S   H    _H1_     3     1.02829    32.96468   161.37595
    4     1 S   H    _H2_     4     1.02783   100.67941   -92.14089
    5     1 S   CT   _CA1     5     1.50113   139.27735   123.91961
    6     5 S   HC   _HA1     6     1.09573   105.21049    79.94930
    7     5 S   CO3  _C1_     7     1.53795   112.43015   -40.29560
    8     7 S   O2Z  _O11     8     1.26371   115.00723   -43.07575
    9     7 S   O2Z  _O12     9     1.26240   114.94746   136.06871
   10     5 S   CT   _CB1    10     1.53082   107.42386  -162.07277
   11    10 S   HC   HB11    11     1.09830   109.39108   -49.88355
   12    10 S   HC   HB12    12     1.09815   110.43470    66.72467
   13    10 S   CT   _CG1    13     1.52984   112.59933  -170.88260
   14    13 S   HC   HG11    14     1.09587   110.57672   -64.75380
   15    13 S   HC   HG12    15     1.09667   109.84435    54.47628
   16    13 S   C    _CD1    16     1.51796   112.28049   174.91882
   17    16 S   O    _OE1    17     1.22726   123.29821     4.25142
   18    16 S   N    _N2_    18     1.38647   111.62172  -175.82463
   19    18 S   H    _HN2    19     1.01577   118.96265     1.80743
   20    18 S   CT1  _CA2    20     1.46205   123.39591   178.35551
   21    20 S   HC   _HA2    21     1.09740   109.39091     0.29475
   22    20 S   C    _C2_    22     1.53530   108.50909  -115.18114
   23    22 S   O    _O2_    23     1.23054   122.34549  -147.58148
   24    20 S   CT   _CB2    32     1.53479   111.64914   122.27849
   25    24 S   HC   HB21    33     1.09503   109.54446    56.40811
   26    24 S   HC   HB22    34     1.09217   109.60211   174.69112
   27    22 S   N    _N3_    24     1.38352   113.64106    39.82878
   28    27 S   H    _HN3    25     1.01599   119.56163    -3.36813
   29    24 S   S    _SG2    35     1.83217   111.01083   -63.92411
   30    27 S   CT   _CA3    26     1.45287   123.16721   177.08845
   31    30 S   HC   HA31    27     1.09550   107.50335   -64.51443
   32    30 S   HC   HA32    28     1.09558   107.97893    51.90542
   33    29 S   CT   _C10    36     1.87460   102.89450  -164.49786
   34    30 S   CO3  _C3_    29     1.52949   114.12427   173.90564
   35    34 S   O2Z  _O31    30     1.26372   116.07970    -0.82567
   36    34 S   O2Z  _O32    31     1.26434   114.40759   179.24050
   37    33 S   CT   _C17    37     1.57347   104.88445   -57.41845
   38    37 S   HC   _H6_    38     1.09941   110.22999   -16.11543
   39    33 S   CT   _C9_    55     1.57190   111.19688    71.10733
   40    39 S   HC   _H5_    56     1.09254   110.28253  -126.18412
   41    37 S   CO4  _C16    39     1.51215   104.46428  -124.67333
   42    41 S   O    _O33    40     1.22490   124.40344  -163.75816
   43    39 S   OH   _O34    57     1.41946   115.71793    -6.73190
   44    43 S   HO   _H25    58     0.97247   107.68378   178.30119
   45    37 S   CT   _C18    72     1.52213   119.23651   107.03992
   46    45 S   HC   _H22    73     1.09096   113.50041    72.54565
   47    45 S   HC   _H23    74     1.09286   111.74616   -50.39954
   48    45 S   HC   _H24    75     1.09656   109.75781  -169.20971
   49    41 S   CT   _C15    41     1.50073   111.97487    21.08607
   50    49 S   HC   _H20    42     1.09253   106.45888    86.98828
   51    49 S   HC   _H21    43     1.09218   111.31828  -153.56344
   52    33 S   CT   _C11    44     1.62738   116.51997  -172.70612
   53    52 S   CT   _C5_    45     1.57712   115.49699   -28.03460
   54    53 S   HC   _H3_    46     1.09553   106.66296  -168.64431
   55    53 S   CT   _C6_    47     1.54600   111.83821   -52.82994
   56    55 S   HC   _H10    48     1.09816   109.07677  -157.44486
   57    55 S   HC   _H11    49     1.09375   110.65373    88.35474
   58    53 S   CT   _C4_    68     1.53612   118.54501    79.00418
   59    58 S   HC   _H7_    69     1.08751   114.61877   -57.94349
   60    58 S   HC   _H8_    70     1.09651   109.98168  -178.53393
   61    58 S   HC   _H9_    71     1.09484   110.87902    64.15070
   62    55 S   CT   _C7_    50     1.53648   115.17047   -35.16237
   63    62 S   HC   _H12    51     1.09679   109.02687   153.11907
   64    62 S   HC   _H13    52     1.09717   108.38053   -93.86203
   65    62 S   CT   _C8_    53     1.54541   115.55442    28.10055
   66    65 S   HC   _H4_    54     1.09722   107.66481  -172.78925
   67    52 S   CT   _C12    59     1.60809   103.96784  -143.87307
   68    67 S   CT   _C13    60     1.55194   116.07596   165.95172
   69    68 S   HC   _H14    61     1.09582   110.60070    60.06284
   70    68 S   HC   _H15    62     1.09134   115.18115   -61.94301
   71    68 S   HC   _H16    63     1.09718   110.68435   179.05395
   72    67 S   CT   _C14    64     1.54989   116.81251   -72.55106
   73    72 S   HC   _H17    65     1.09555   111.41064   -68.09309
   74    72 S   HC   _H18    66     1.09748   110.46305   173.26513
   75    72 S   HC   _H19    67     1.08364   114.47932    54.42122
  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  13   5   4   3
  26   2   1   1  17   9  17   7  11   5   6   1   5   2   1   1
  11   4   3  21  15   9  12   6   5   5   2   1   1   7   4   3
  10   3   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    49    52    53    65    39    40    43    67    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    49    50    51    52    53    54    55    62    65    66    39    40    43    44    67    68    72    58    45    46    47    48  
   35    36  
   36  
    0  
   38    41    42    49    50    51    52    53    65    39    40    43    67    45    46    47    48  
   41    42    49    52    39    45    46    47    48  
   40    43    44    67    68    72    45    41    49    52    53    55    62    63    64    65    66  
   43    44    67    52    62    65    66  
   42    49    50    51    52    53    67    45    46    47    48  
   49    50    51    52    45  
   44    67    52    62    65    66  
   65  
   46    47    48    49    52  
   47    48  
   48  
    0  
   50    51    52    53    54    55    65    67    68    72    58  
   51    52    53    67  
   52    53    67  
   53    54    55    56    57    62    65    66    67    68    69    70    71    72    73    74    75    58    59    60    61  
   54    55    56    57    62    63    64    65    67    68    72    58    59    60    61  
   55    56    57    62    67    58    59    60    61  
   56    57    62    63    64    65    66    67    58    59    60    61  
   57    62    63    64    65    58  
   62    63    64    65    58  
   59    60    61    62    67  
   60    61  
   61  
    0  
   63    64    65    66    67    68    72  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72    73    74    75  
   67    68    72  
   68    69    70    71    72    73    74    75  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    45   268.000  1.529
   41    42   570.000  1.229
   41    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   268.000  1.529
   52    67   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    39   268.000  1.529
   65    67   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   67    68   268.000  1.529
   67    72   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    52    49    58.35000  112.70000
   33    52    53    58.35000  112.70000
   33    52    67    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   37    41    42    80.00000  120.40000
   37    41    49    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    48    37.50000  110.70000
   41    37    38    35.00000  109.50000
   41    49    50    35.00000  109.50000
   41    49    51    35.00000  109.50000
   41    49    52    63.00000  111.10000
   49    41    42    80.00000  120.40000
   49    52    53    58.35000  112.70000
   49    52    67    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    55    58.35000  112.70000
   52    53    58    58.35000  112.70000
   52    67    65    58.35000  112.70000
   52    67    68    58.35000  112.70000
   52    67    72    58.35000  112.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    62    58.35000  112.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   55    53    54    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    58.35000  112.70000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    39    58.35000  112.70000
   62    65    67    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    43    50.00000  109.50000
   65    67    68    58.35000  112.70000
   65    67    72    58.35000  112.70000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    65    66    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   67    52    53    58.35000  112.70000
   67    65    66    37.50000  110.70000
   67    65    39    58.35000  112.70000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    41    63.00000  111.10000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    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    37    38   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    52    49   0.44750  1.0 1.0
   29    33    52    49  -0.17800 -1.0 2.0
   29    33    52    49   0.20200  1.0 3.0
   29    33    52    53   0.44750  1.0 1.0
   29    33    52    53  -0.17800 -1.0 2.0
   29    33    52    53   0.20200  1.0 3.0
   29    33    52    67   0.44750  1.0 1.0
   29    33    52    67  -0.17800 -1.0 2.0
   29    33    52    67   0.20200  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    49   0.60050  1.0 1.0
   33    37   -41    49   0.05600 -1.0 2.0
   33    37   -41    49   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    48   0.15000  1.0 3.0
   33    52    53    54   0.15000  1.0 3.0
   33    52    53    55   0.56750  1.0 1.0
   33    52    53    55  -0.07550 -1.0 2.0
   33    52    53    55   0.20000  1.0 3.0
   33    52    53    58   0.56750  1.0 1.0
   33    52    53    58  -0.07550 -1.0 2.0
   33    52    53    58   0.20000  1.0 3.0
   33    52   -67    65   0.56750  1.0 1.0
   33    52   -67    65  -0.07550 -1.0 2.0
   33    52   -67    65   0.20000  1.0 3.0
   33    52    67    68   0.56750  1.0 1.0
   33    52    67    68  -0.07550 -1.0 2.0
   33    52    67    68   0.20000  1.0 3.0
   33    52    67    72   0.56750  1.0 1.0
   33    52    67    72  -0.07550 -1.0 2.0
   33    52    67    72   0.20000  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   37    33   -52    49   0.56750  1.0 1.0
   37    33   -52    49  -0.07550 -1.0 2.0
   37    33   -52    49   0.20000  1.0 3.0
   37    33    52    53   0.56750  1.0 1.0
   37    33    52    53  -0.07550 -1.0 2.0
   37    33    52    53   0.20000  1.0 3.0
   37    33    52    67   0.56750  1.0 1.0
   37    33    52    67  -0.07550 -1.0 2.0
   37    33    52    67   0.20000  1.0 3.0
   37    33    39    65   0.56750  1.0 1.0
   37    33    39    65  -0.07550 -1.0 2.0
   37    33    39    65   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.86500  1.0 1.0
   37    33    39    43  -0.17500 -1.0 2.0
   37    33    39    43   0.20800  1.0 3.0
   37    41    49    50   0.00000  1.0 1.0
   37    41    49    51   0.00000  1.0 1.0
   37    41   -49    52   0.60050  1.0 1.0
   37    41   -49    52   0.05600 -1.0 2.0
   37    41   -49    52   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    49   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   41    37    45    46  -0.11250  1.0 3.0
   41    37    45    47  -0.11250  1.0 3.0
   41    37    45    48  -0.11250  1.0 3.0
   41    49   -52    33  -0.95700  1.0 1.0
   41    49   -52    33  -0.18200 -1.0 2.0
   41    49   -52    33   0.29450  1.0 3.0
   41    49    52    53  -0.95700  1.0 1.0
   41    49    52    53  -0.18200 -1.0 2.0
   41    49    52    53   0.29450  1.0 3.0
   41    49    52    67  -0.95700  1.0 1.0
   41    49    52    67  -0.18200 -1.0 2.0
   41    49    52    67   0.29450  1.0 3.0
   42    41    49    50   0.00000  1.0 1.0
   42    41    49    51   0.00000  1.0 1.0
   42    41    49    52   0.30150 -1.0 2.0
   49    52    53    54   0.15000  1.0 3.0
   49    52    53    55   0.56750  1.0 1.0
   49    52    53    55  -0.07550 -1.0 2.0
   49    52    53    55   0.20000  1.0 3.0
   49    52    53    58   0.56750  1.0 1.0
   49    52    53    58  -0.07550 -1.0 2.0
   49    52    53    58   0.20000  1.0 3.0
   49    52    67    65   0.56750  1.0 1.0
   49    52    67    65  -0.07550 -1.0 2.0
   49    52    67    65   0.20000  1.0 3.0
   49    52    67    68   0.56750  1.0 1.0
   49    52    67    68  -0.07550 -1.0 2.0
   49    52    67    68   0.20000  1.0 3.0
   49    52    67    72   0.56750  1.0 1.0
   49    52    67    72  -0.07550 -1.0 2.0
   49    52    67    72   0.20000  1.0 3.0
   50    49    52    33   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    67   0.15000  1.0 3.0
   51    49    52    33   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    67   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    41  -0.95700  1.0 1.0
   52    33   -37    41  -0.18200 -1.0 2.0
   52    33   -37    41   0.29450  1.0 3.0
   52    33    37    45   0.56750  1.0 1.0
   52    33    37    45  -0.07550 -1.0 2.0
   52    33    37    45   0.20000  1.0 3.0
   52    33   -39    65   0.56750  1.0 1.0
   52    33   -39    65  -0.07550 -1.0 2.0
   52    33   -39    65   0.20000  1.0 3.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    43   0.86500  1.0 1.0
   52    33    39    43  -0.17500 -1.0 2.0
   52    33    39    43   0.20800  1.0 3.0
   52    53    55    56   0.15000  1.0 3.0
   52    53    55    57   0.15000  1.0 3.0
   52    53    55    62   0.56750  1.0 1.0
   52    53    55    62  -0.07550 -1.0 2.0
   52    53    55    62   0.20000  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    60   0.15000  1.0 3.0
   52    53    58    61   0.15000  1.0 3.0
   52    67    68    69   0.15000  1.0 3.0
   52    67    68    70   0.15000  1.0 3.0
   52    67    68    71   0.15000  1.0 3.0
   52    67    72    73   0.15000  1.0 3.0
   52    67    72    74   0.15000  1.0 3.0
   52    67    72    75   0.15000  1.0 3.0
   53    52    67    65   0.56750  1.0 1.0
   53    52    67    65  -0.07550 -1.0 2.0
   53    52    67    65   0.20000  1.0 3.0
   53    52    67    68   0.56750  1.0 1.0
   53    52    67    68  -0.07550 -1.0 2.0
   53    52    67    68   0.20000  1.0 3.0
   53    52    67    72   0.56750  1.0 1.0
   53    52    67    72  -0.07550 -1.0 2.0
   53    52    67    72   0.20000  1.0 3.0
   53    55    62    63   0.15000  1.0 3.0
   53    55    62    64   0.15000  1.0 3.0
   53    55   -62    65   0.56750  1.0 1.0
   53    55   -62    65  -0.07550 -1.0 2.0
   53    55   -62    65   0.20000  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    62   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    62    65    66   0.15000  1.0 3.0
   55    62    65    39   0.56750  1.0 1.0
   55    62    65    39  -0.07550 -1.0 2.0
   55    62    65    39   0.20000  1.0 3.0
   55    62    65    67   0.56750  1.0 1.0
   55    62    65    67  -0.07550 -1.0 2.0
   55    62    65    67   0.20000  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.15000  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    65   0.15000  1.0 3.0
   62    65    39    33   0.56750  1.0 1.0
   62    65    39    33  -0.07550 -1.0 2.0
   62    65    39    33   0.20000  1.0 3.0
   62    65    39    40   0.15000  1.0 3.0
   62    65    39    43   0.86500  1.0 1.0
   62    65    39    43  -0.17500 -1.0 2.0
   62    65    39    43   0.20800  1.0 3.0
   62    65   -67    52   0.56750  1.0 1.0
   62    65   -67    52  -0.07550 -1.0 2.0
   62    65   -67    52   0.20000  1.0 3.0
   62    65    67    68   0.56750  1.0 1.0
   62    65    67    68  -0.07550 -1.0 2.0
   62    65    67    68   0.20000  1.0 3.0
   62    65    67    72   0.56750  1.0 1.0
   62    65    67    72  -0.07550 -1.0 2.0
   62    65    67    72   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    39   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    39   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   65    39    43    44  -0.11600  1.0 1.0
   65    39    43    44  -0.09450 -1.0 2.0
   65    39    43    44   0.21250  1.0 3.0
   65    67    68    69   0.15000  1.0 3.0
   65    67    68    70   0.15000  1.0 3.0
   65    67    68    71   0.15000  1.0 3.0
   65    67    72    73   0.15000  1.0 3.0
   65    67    72    74   0.15000  1.0 3.0
   65    67    72    75   0.15000  1.0 3.0
   66    65    39    33   0.15000  1.0 3.0
   66    65    39    40   0.15000  1.0 3.0
   66    65    39    43   0.23400  1.0 3.0
   66    65    67    52   0.15000  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    72   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    41  -0.95700  1.0 1.0
   39    33    37    41  -0.18200 -1.0 2.0
   39    33    37    41   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    52    49   0.56750  1.0 1.0
   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33    52    53   0.56750  1.0 1.0
   39    33    52    53  -0.07550 -1.0 2.0
   39    33    52    53   0.20000  1.0 3.0
   39    33   -52    67   0.56750  1.0 1.0
   39    33   -52    67  -0.07550 -1.0 2.0
   39    33   -52    67   0.20000  1.0 3.0
   39    65   -67    52   0.56750  1.0 1.0
   39    65   -67    52  -0.07550 -1.0 2.0
   39    65   -67    52   0.20000  1.0 3.0
   39    65    67    68   0.56750  1.0 1.0
   39    65    67    68  -0.07550 -1.0 2.0
   39    65    67    68   0.20000  1.0 3.0
   39    65    67    72   0.56750  1.0 1.0
   39    65    67    72  -0.07550 -1.0 2.0
   39    65    67    72   0.20000  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   67    52    53    54   0.15000  1.0 3.0
   67    52   -53    55   0.56750  1.0 1.0
   67    52   -53    55  -0.07550 -1.0 2.0
   67    52   -53    55   0.20000  1.0 3.0
   67    52    53    58   0.56750  1.0 1.0
   67    52    53    58  -0.07550 -1.0 2.0
   67    52    53    58   0.20000  1.0 3.0
   67    65   -39    33   0.56750  1.0 1.0
   67    65   -39    33  -0.07550 -1.0 2.0
   67    65   -39    33   0.20000  1.0 3.0
   67    65    39    40   0.15000  1.0 3.0
   67    65    39    43   0.86500  1.0 1.0
   67    65    39    43  -0.17500 -1.0 2.0
   67    65    39    43   0.20800  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   72    67    68    69   0.15000  1.0 3.0
   72    67    68    70   0.15000  1.0 3.0
   72    67    68    71   0.15000  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    62   0.56750  1.0 1.0
   58    53    55    62  -0.07550 -1.0 2.0
   58    53    55    62   0.20000  1.0 3.0
   45    37    41    42   0.30150 -1.0 2.0
   45    37    41    49   0.60050  1.0 1.0
   45    37    41    49   0.05600 -1.0 2.0
   45    37    41    49   0.26150  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
   35    30    34    36  10.50000 -1.0 2.0
   37    49    41    42  10.50000 -1.0 2.0
END
