* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    261     482
    1     0 S   NP   _N1_     1    28.69496    97.83720   -22.40126
    2     1 S   H    _HN1     2     1.02950    65.46591    17.52960
    3     1 S   H    _H1_     3     1.02828    48.35270   164.46964
    4     1 S   H    _H2_     4     1.02786    98.29814   -88.92987
    5     1 S   CT   _CA1     5     1.50120   148.27581   106.97668
    6     5 S   HC   _HA1     6     1.09573   105.19394   101.62615
    7     5 S   CO3  _C1_     7     1.53787   112.43629   -18.60829
    8     7 S   O2Z  _O11     8     1.26374   115.00382   -42.93855
    9     7 S   O2Z  _O12     9     1.26238   114.94745   136.15218
   10     5 S   CT   _CB1    10     1.53076   107.41534  -140.39526
   11    10 S   HC   HB11    11     1.09834   109.37346   -49.66469
   12    10 S   HC   HB12    12     1.09813   110.44735    66.93888
   13    10 S   CT   _CG1    13     1.52996   112.61519  -170.63592
   14    13 S   HC   HG11    14     1.09581   110.64025   -65.63085
   15    13 S   HC   HG12    15     1.09669   109.78441    53.60728
   16    13 S   C    _CD1    16     1.51805   112.18952   174.06300
   17    16 S   O    _OE1    17     1.22735   123.27366     7.33366
   18    16 S   N    _N2_    18     1.38647   111.70444  -172.77501
   19    18 S   H    _HN2    19     1.01585   118.95364     1.56910
   20    18 S   CT1  _CA2    20     1.46186   123.37920   177.53693
   21    20 S   HC   _HA2    21     1.09738   109.37680     3.42646
   22    20 S   C    _C2_    22     1.53553   108.66955  -112.11239
   23    22 S   O    _O2_    23     1.23067   122.24620  -147.80900
   24    20 S   CT   _CB2    32     1.53364   111.59556   125.43471
   25    24 S   HC   HB21    33     1.09392   109.84398    57.01361
   26    24 S   HC   HB22    34     1.09480   109.97805   175.64742
   27    22 S   N    _N3_    24     1.38317   113.74335    39.60878
   28    27 S   H    _HN3    25     1.01579   119.60015    -3.25582
   29    24 S   S    _SG2    35     1.82906   111.37895   -64.48300
   30    27 S   CT   _CA3    26     1.45285   123.20628   177.14480
   31    30 S   HC   HA31    27     1.09549   107.50346   -64.81387
   32    30 S   HC   HA32    28     1.09557   107.99212    51.62356
   33    29 S   CT   _C20    36     1.86930   100.21914  -176.00188
   34    33 S   HC   _H7_    37     1.09721   106.93979    21.57806
   35    30 S   CO3  _C3_    29     1.52959   114.08733   173.63733
   36    35 S   O2Z  _O31    30     1.26376   116.07644    -0.37639
   37    35 S   O2Z  _O32    31     1.26430   114.40784   179.68721
   38    33 S   CT   _C19    38     1.55139   106.92370   -95.07772
   39    38 S   HC   _H6_    39     1.09474   111.82767   -57.10557
   40    33 S   CT   _C12    69     1.58526   113.78626   141.86476
   41    38 S   CT   _C18    40     1.52908   112.51155   179.16420
   42    41 S   HC   _H5_    41     1.09886   106.59566   -73.77024
   43    51 S   CT   _C13    70     1.53092   112.85423   -39.41780
   44    43 S   HC   _H3_    71     1.10055   109.14081   -78.75253
   45    40 S   CT   _C22    72     1.56527   107.67688    53.28611
   46    45 S   HC   _H23    73     1.09235   112.72550    52.36161
   47    45 S   HC   _H24    74     1.09600   111.32823   -68.26443
   48    45 S   HC   _H25    75     1.08927   114.66272   173.41837
   49    38 S   OH   _O37    82     1.43602   110.52268    59.74973
   50    49 S   HO   _H18    83     0.97223   108.20373    62.04129
   51    41 S   CT   _C17    42     1.53193   117.00179    46.56919
   52    41 S   OH   _O38    80     1.43040   109.52161   173.57123
   53    52 S   HO   _H19    81     0.97352   108.00402   -66.79709
   54    51 S   CO4  _C16    43     1.51587   118.50301    76.21556
   55    54 S   O    _O36    44     1.22030   126.59900    31.22187
   56    51 S   CT   _C21    76     1.55162   107.50928  -164.23030
   57    56 S   HC   _H20    77     1.09570   110.88969    66.72920
   58    56 S   HC   _H21    78     1.09648   110.99099   -53.13095
   59    56 S   HC   _H22    79     1.09484   113.27538  -172.00174
   60    54 S   OS   _O35    45     1.37946   108.94582  -150.27045
   61    60 S   CT   _C14    46     1.44342   109.78202     4.09185
   62    61 S   HC   _H4_    47     1.09696   107.03742   -95.59252
   63    61 S   CT   _C15    48     1.53223   111.43934   146.82098
   64    63 S   HC   _H16    49     1.09724   105.63903   106.49850
   65    63 S   HC   _H17    50     1.09624   111.23543    -6.62803
   66    63 S   CM   _C8_    51     1.51604   115.21427  -132.31149
   67    66 S   CM   _C9_    52     1.47263   118.33067    30.18571
   68    67 S   CM   _C10    53     1.34239   118.23181  -170.02394
   69    68 S   HC   _H15    54     1.07953   123.35447   175.41098
   70    68 S   CO4  _C11    55     1.47086   122.50495    -5.38030
   71    70 S   O    _O33    56     1.22615   120.79843  -179.94065
   72    70 S   OS   _O34    57     1.35854   116.75307    -0.99780
   73    66 S   CM   _C7_    58     1.35042   122.57910  -147.39166
   74    73 S   CT   _C5_    59     1.51879   126.08573    -5.36060
   75    74 S   HC   _H11    60     1.09517   110.38323   -12.24796
   76    74 S   CT   _C4_    61     1.52928   110.55419   106.92496
   77    76 S   HC   _H8_    62     1.09577   111.68262    62.43285
   78    76 S   HC   _H9_    63     1.09565   110.96709   -58.05139
   79    76 S   HC   _H10    64     1.09539   110.63576  -177.52346
   80    74 S   CT   _C6_    65     1.53247   111.48809  -129.64688
   81    80 S   HC   _H12    66     1.09562   111.93516   -65.06860
   82    80 S   HC   _H13    67     1.09557   110.46991   175.11408
   83    80 S   HC   _H14    68     1.09561   110.93153    55.73159
  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  10   5   4   3
  20   8   2   1   1  14   7  21  16   7  22   9   8   3   2   1
   3   1  13   3   1   9   3   5   2   1   1   6   7   4   8   4
   3  10   7   5   3   4   2   5  10   9   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    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    67    40    43    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    51    61    66    67    68    40    43    44    45    46    47    48    52    49    50  
   38    39    41    67    40    43    45    49  
   36    37  
   37  
    0  
   39    41    42    51    54    67    40    43    45    56    52    53    49    50  
   41    42    51    40    52    49    50  
   43    44    45    46    47    48    56    49    41    51    54    60    61    62    63    66    67    68    69    70    73  
   42    51    54    55    60    61    43    44    56    57    58    59    52    53    49    50  
   51    54    43    56    52    53    49  
   44    45    46    47    48    56    57    58    59    52    51    54    55    60    61    62    63    64    65    66    67    68  
   45    56    51    54    60    61    62    63    67  
   46    47    48    51    61    66    67    68  
   47    48    67  
   48    67  
   67  
   50    51    52  
    0  
   54    55    60    61    62    63    67    56    57    58    59    52    53  
   53    54    56  
    0  
   55    60    61    62    63    56    57    58    59  
   60    61    56  
   57    58    59    60    61  
   58    59  
   59  
    0  
   61    62    63    64    65    66  
   62    63    64    65    66    67    73  
   63    64    65    66  
   64    65    66    67    68    72    73    74  
   65    66    67    73  
   66    67    73  
   67    68    69    70    72    73    74    75    76    80  
   68    69    70    71    72    73    74  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74  
   72    73  
   73    74    75    76    80  
   74    75    76    77    78    79    80    81    82    83  
   75    76    77    78    79    80    81    82    83  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   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  -0.335000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   2.8500   0.1400  -0.165000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   38    39   340.000  1.090
   38    41   268.000  1.529
   38    49   320.000  1.410
   41    42   340.000  1.090
   41    51   268.000  1.529
   41    52   320.000  1.410
   51    54   317.000  1.522
   51    43   268.000  1.529
   51    56   268.000  1.529
   54    55   570.000  1.229
   54    60   214.000  1.327
   60    61   320.000  1.410
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    43   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   380.000  1.444
   66    73   549.000  1.340
   67    68   549.000  1.340
   67    40   317.000  1.510
   68    69   340.000  1.080
   68    70   320.000  1.462
   70    71   570.000  1.229
   70    72   214.000  1.327
   72    73   440.000  1.360
   73    74   317.000  1.510
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   40    43   268.000  1.529
   40    45   268.000  1.529
   43    44   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   52    53   553.000  0.945
   49    50   553.000  0.945
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    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    41    58.35000  112.70000
   33    38    49    50.00000  109.50000
   33    40    67    70.00000  112.02700
   33    40    43    58.35000  112.70000
   33    40    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    37.50000  110.70000
   38    41    51    58.35000  112.70000
   38    41    52    50.00000  109.50000
   38    49    50    55.00000  108.50000
   41    38    39    37.50000  110.70000
   41    51    54    63.00000  111.10000
   41    51    43    58.35000  112.70000
   41    51    56    58.35000  112.70000
   41    52    53    55.00000  108.50000
   51    41    42    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    60    81.00000  111.40000
   51    43    61    58.35000  112.70000
   51    43    40    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   54    60    61    83.00000  116.90000
   60    54    55    83.00000  123.40000
   60    61    62    35.00000  109.50000
   60    61    63    50.00000  109.50000
   60    61    43    50.00000  109.50000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    66    70.00000  112.02700
   61    43    40    58.35000  112.70000
   61    43    44    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    66    67    70.00000  124.00000
   63    66    73    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    70.00000  123.01800
   66    67    40    70.00000  124.00000
   66    73    72    80.00000  120.01400
   66    73    74    70.00000  124.00000
   67    68    69    35.00000  120.00000
   67    68    70    65.00000  118.96000
   67    40    43    70.00000  112.02700
   67    40    45    70.00000  112.02700
   68    70    71    80.00000  123.72100
   68    70    72    90.00000  111.29400
   70    68    69    40.00000  117.72500
   70    72    73    90.00000  114.22900
   72    70    71    83.00000  123.40000
   72    73    74    85.00000  112.85300
   73    66    67    70.00000  123.01800
   73    74    75    35.00000  109.50000
   73    74    76    70.00000  112.02700
   73    74    80    70.00000  112.02700
   74    76    77    37.50000  110.70000
   74    76    78    37.50000  110.70000
   74    76    79    37.50000  110.70000
   74    80    81    37.50000  110.70000
   74    80    82    37.50000  110.70000
   74    80    83    37.50000  110.70000
   76    74    75    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    74    75    37.50000  110.70000
   80    74    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    67    68    70.00000  124.00000
   40    43    44    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    61    62    37.50000  110.70000
   43    61    63    58.35000  112.70000
   45    40    43    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   56    51    54    63.00000  111.10000
   56    51    43    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   52    41    42    35.00000  109.50000
   52    41    51    50.00000  109.50000
   49    38    39    35.00000  109.50000
   49    38    41    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    39   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    38    49   0.56750  1.0 1.0
   29    33    38    49  -0.07550 -1.0 2.0
   29    33    38    49   0.20000  1.0 3.0
   29    33    40    67   0.56750  1.0 1.0
   29    33    40    67  -0.07550 -1.0 2.0
   29    33    40    67   0.20000  1.0 3.0
   29    33    40    43   0.44750  1.0 1.0
   29    33    40    43  -0.17800 -1.0 2.0
   29    33    40    43   0.20200  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    51   0.56750  1.0 1.0
   33    38    41    51  -0.07550 -1.0 2.0
   33    38    41    51   0.20000  1.0 3.0
   33    38    41    52   0.86500  1.0 1.0
   33    38    41    52  -0.17500 -1.0 2.0
   33    38    41    52   0.20800  1.0 3.0
   33    38    49    50  -0.11600  1.0 1.0
   33    38    49    50  -0.09450 -1.0 2.0
   33    38    49    50   0.21250  1.0 3.0
   33    40   -43    51   0.56750  1.0 1.0
   33    40   -43    51  -0.07550 -1.0 2.0
   33    40   -43    51   0.20000  1.0 3.0
   33    40    43    61   0.56750  1.0 1.0
   33    40    43    61  -0.07550 -1.0 2.0
   33    40    43    61   0.20000  1.0 3.0
   33    40    43    44   0.15000  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    38    49   0.23400  1.0 3.0
   34    33    40    67   0.15000  1.0 3.0
   34    33    40    43   0.15000  1.0 3.0
   34    33    40    45   0.15000  1.0 3.0
   38    33    40    67   0.34400  1.0 1.0
   38    33    40    67   0.09450 -1.0 2.0
   38    33    40    67   0.11100  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    33    40    45   0.56750  1.0 1.0
   38    33    40    45  -0.07550 -1.0 2.0
   38    33    40    45   0.20000  1.0 3.0
   38    41    51    54  -0.95700  1.0 1.0
   38    41    51    54  -0.18200 -1.0 2.0
   38    41    51    54   0.29450  1.0 3.0
   38    41   -51    43   0.56750  1.0 1.0
   38    41   -51    43  -0.07550 -1.0 2.0
   38    41   -51    43   0.20000  1.0 3.0
   38    41    51    56   0.56750  1.0 1.0
   38    41    51    56  -0.07550 -1.0 2.0
   38    41    51    56   0.20000  1.0 3.0
   38    41    52    53  -0.11600  1.0 1.0
   38    41    52    53  -0.09450 -1.0 2.0
   38    41    52    53   0.21250  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    51   0.15000  1.0 3.0
   39    38    41    52   0.23400  1.0 3.0
   39    38    49    50   0.19450  1.0 3.0
   41    38    49    50  -0.11600  1.0 1.0
   41    38    49    50  -0.09450 -1.0 2.0
   41    38    49    50   0.21250  1.0 3.0
   41    51    54    55   0.30150 -1.0 2.0
   41    51    54    60   0.36750  1.0 3.0
   41    51    43    61   0.56750  1.0 1.0
   41    51    43    61  -0.07550 -1.0 2.0
   41    51    43    61   0.20000  1.0 3.0
   41    51    43    40   0.56750  1.0 1.0
   41    51    43    40  -0.07550 -1.0 2.0
   41    51    43    40   0.20000  1.0 3.0
   41    51    43    44   0.15000  1.0 3.0
   41    51    56    57   0.15000  1.0 3.0
   41    51    56    58   0.15000  1.0 3.0
   41    51    56    59   0.15000  1.0 3.0
   42    41    51    54  -0.11250  1.0 3.0
   42    41    51    43   0.15000  1.0 3.0
   42    41    51    56   0.15000  1.0 3.0
   42    41    52    53   0.19450  1.0 3.0
   51    41    52    53  -0.11600  1.0 1.0
   51    41    52    53  -0.09450 -1.0 2.0
   51    41    52    53   0.21250  1.0 3.0
   51    54   -60    61   1.63150  1.0 1.0
   51    54   -60    61   2.92000 -1.0 2.0
   54    51   -43    61  -0.95700  1.0 1.0
   54    51   -43    61  -0.18200 -1.0 2.0
   54    51   -43    61   0.29450  1.0 3.0
   54    51    43    40  -0.95700  1.0 1.0
   54    51    43    40  -0.18200 -1.0 2.0
   54    51    43    40   0.29450  1.0 3.0
   54    51    43    44  -0.11250  1.0 3.0
   54    51    56    57  -0.11250  1.0 3.0
   54    51    56    58  -0.11250  1.0 3.0
   54    51    56    59  -0.11250  1.0 3.0
   54    60    61    62   0.08050  1.0 3.0
   54    60    61    63  -0.25900  1.0 1.0
   54    60    61    63  -0.47000 -1.0 2.0
   54    60    61    63   0.11750  1.0 3.0
   54    60   -61    43  -0.25900  1.0 1.0
   54    60   -61    43  -0.47000 -1.0 2.0
   54    60   -61    43   0.11750  1.0 3.0
   55    54    60    61   3.00000 -1.0 2.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.23400  1.0 3.0
   60    61    63    66   0.61850  1.0 1.0
   60    61    63    66  -0.22750 -1.0 2.0
   60    61    63    66   0.15300  1.0 3.0
   60    61   -43    51   0.62750  1.0 1.0
   60    61   -43    51  -0.30950 -1.0 2.0
   60    61   -43    51   0.27300  1.0 3.0
   60    61    43    40   0.62750  1.0 1.0
   60    61    43    40  -0.30950 -1.0 2.0
   60    61    43    40   0.27300  1.0 3.0
   60    61    43    44   0.23400  1.0 3.0
   61    63    66    67   0.98200  1.0 1.0
   61    63    66    67  -0.11900 -1.0 2.0
   61    63    66    67   0.24250  1.0 3.0
   61    63    66    73   0.09850  1.0 1.0
   61    63    66    73   0.15250 -1.0 2.0
   61    63    66    73  -0.50650  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61    43    51   0.15000  1.0 3.0
   62    61    43    40   0.15000  1.0 3.0
   62    61    43    44   0.15000  1.0 3.0
   63    61    43    51   0.56750  1.0 1.0
   63    61    43    51  -0.07550 -1.0 2.0
   63    61    43    51   0.20000  1.0 3.0
   63    61    43    40   0.56750  1.0 1.0
   63    61    43    40  -0.07550 -1.0 2.0
   63    61    43    40   0.20000  1.0 3.0
   63    61    43    44   0.15000  1.0 3.0
   63    66    67    68  -0.18600  1.0 3.0
   63    66   -67    40   0.35650  1.0 1.0
   63    66   -67    40   0.31450 -1.0 2.0
   63    66    73    72   7.00000 -1.0 2.0
   63    66    73    74   7.00000 -1.0 2.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    73   0.00000  1.0 1.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    73   0.00000  1.0 1.0
   66    67    68    69   7.00000 -1.0 2.0
   66    67    68    70   7.00000 -1.0 2.0
   66    67    40    33   0.98200  1.0 1.0
   66    67    40    33  -0.11900 -1.0 2.0
   66    67    40    33   0.24250  1.0 3.0
   66    67    40    43   0.98200  1.0 1.0
   66    67    40    43  -0.11900 -1.0 2.0
   66    67    40    43   0.24250  1.0 3.0
   66    67    40    45   0.98200  1.0 1.0
   66    67    40    45  -0.11900 -1.0 2.0
   66    67    40    45   0.24250  1.0 3.0
   66    73    74    75   0.00000  1.0 1.0
   66    73    74    76   0.09850  1.0 1.0
   66    73    74    76   0.15250 -1.0 2.0
   66    73    74    76  -0.50650  1.0 3.0
   66    73    74    80   0.09850  1.0 1.0
   66    73    74    80   0.15250 -1.0 2.0
   66    73    74    80  -0.50650  1.0 3.0
   67    66    73    72   7.00000 -1.0 2.0
   67    66    73    74   7.00000 -1.0 2.0
   67    68    70    71   1.00000 -1.0 2.0
   67    68   -70    72  -0.56150  1.0 1.0
   67    68   -70    72   2.19150 -1.0 2.0
   67    40    43    51   0.34400  1.0 1.0
   67    40    43    51   0.09450 -1.0 2.0
   67    40    43    51   0.11100  1.0 3.0
   67    40   -43    61   0.34400  1.0 1.0
   67    40   -43    61   0.09450 -1.0 2.0
   67    40   -43    61   0.11100  1.0 3.0
   67    40    43    44   0.15000  1.0 3.0
   67    40    45    46   0.15000  1.0 3.0
   67    40    45    47   0.15000  1.0 3.0
   67    40    45    48   0.15000  1.0 3.0
   68    67    40    33   0.09850  1.0 1.0
   68    67    40    33   0.15250 -1.0 2.0
   68    67    40    33  -0.50650  1.0 3.0
   68    67    40    43   0.09850  1.0 1.0
   68    67    40    43   0.15250 -1.0 2.0
   68    67    40    43  -0.50650  1.0 3.0
   68    67    40    45   0.09850  1.0 1.0
   68    67    40    45   0.15250 -1.0 2.0
   68    67    40    45  -0.50650  1.0 3.0
   68    70    72    73   2.00000 -1.0 2.0
   69    68    70    71   0.00000  1.0 1.0
   69    68    70    72   1.63100 -1.0 2.0
   70    72   -73    66  -1.93650  1.0 1.0
   70    72   -73    66   2.17750 -1.0 2.0
   70    72   -73    66  -0.40250  1.0 3.0
   70    72    73    74   2.00000 -1.0 2.0
   71    70    72    73   3.00000 -1.0 2.0
   72    73    74    75   0.00000  1.0 1.0
   72    73    74    76   0.09700  1.0 1.0
   72    73    74    76   0.15600 -1.0 2.0
   72    73    74    76  -0.50800  1.0 3.0
   72    73    74    80   0.09700  1.0 1.0
   72    73    74    80   0.15600 -1.0 2.0
   72    73    74    80  -0.50800  1.0 3.0
   73    66   -67    68   0.28850  1.0 1.0
   73    66   -67    68   2.61350 -1.0 2.0
   73    66   -67    68   0.78400  1.0 3.0
   73    66    67    40  -0.18600  1.0 3.0
   73    74    76    77   0.15000  1.0 3.0
   73    74    76    78   0.15000  1.0 3.0
   73    74    76    79   0.15000  1.0 3.0
   73    74    80    81   0.15000  1.0 3.0
   73    74    80    82   0.15000  1.0 3.0
   73    74    80    83   0.15000  1.0 3.0
   75    74    76    77   0.15000  1.0 3.0
   75    74    76    78   0.15000  1.0 3.0
   75    74    76    79   0.15000  1.0 3.0
   75    74    80    81   0.15000  1.0 3.0
   75    74    80    82   0.15000  1.0 3.0
   75    74    80    83   0.15000  1.0 3.0
   76    74    80    81   0.15000  1.0 3.0
   76    74    80    82   0.15000  1.0 3.0
   76    74    80    83   0.15000  1.0 3.0
   80    74    76    77   0.15000  1.0 3.0
   80    74    76    78   0.15000  1.0 3.0
   80    74    76    79   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33   -38    41   0.56750  1.0 1.0
   40    33   -38    41  -0.07550 -1.0 2.0
   40    33   -38    41   0.20000  1.0 3.0
   40    33    38    49   0.86500  1.0 1.0
   40    33    38    49  -0.17500 -1.0 2.0
   40    33    38    49   0.20800  1.0 3.0
   40    67    68    69   7.00000 -1.0 2.0
   40    67    68    70   7.00000 -1.0 2.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51   -54    60   0.36750  1.0 3.0
   43    51    56    57   0.15000  1.0 3.0
   43    51    56    58   0.15000  1.0 3.0
   43    51    56    59   0.15000  1.0 3.0
   43    61    63    64   0.15000  1.0 3.0
   43    61    63    65   0.15000  1.0 3.0
   43    61   -63    66   0.34400  1.0 1.0
   43    61   -63    66   0.09450 -1.0 2.0
   43    61   -63    66   0.11100  1.0 3.0
   43    40    45    46   0.15000  1.0 3.0
   43    40    45    47   0.15000  1.0 3.0
   43    40    45    48   0.15000  1.0 3.0
   45    40    43    51   0.56750  1.0 1.0
   45    40    43    51  -0.07550 -1.0 2.0
   45    40    43    51   0.20000  1.0 3.0
   45    40    43    61   0.56750  1.0 1.0
   45    40    43    61  -0.07550 -1.0 2.0
   45    40    43    61   0.20000  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   56    51    54    55   0.30150 -1.0 2.0
   56    51    54    60   0.36750  1.0 3.0
   56    51    43    61   0.56750  1.0 1.0
   56    51    43    61  -0.07550 -1.0 2.0
   56    51    43    61   0.20000  1.0 3.0
   56    51    43    40   0.56750  1.0 1.0
   56    51    43    40  -0.07550 -1.0 2.0
   56    51    43    40   0.20000  1.0 3.0
   56    51    43    44   0.15000  1.0 3.0
   52    41    51    54  -0.09450  1.0 1.0
   52    41    51    54  -1.12950 -1.0 2.0
   52    41    51    54   0.54000  1.0 3.0
   52    41    51    43   0.86500  1.0 1.0
   52    41    51    43  -0.17500 -1.0 2.0
   52    41    51    43   0.20800  1.0 3.0
   52    41    51    56   0.86500  1.0 1.0
   52    41    51    56  -0.17500 -1.0 2.0
   52    41    51    56   0.20800  1.0 3.0
   49    38    41    42   0.23400  1.0 3.0
   49    38    41    51   0.86500  1.0 1.0
   49    38    41    51  -0.17500 -1.0 2.0
   49    38    41    51   0.20800  1.0 3.0
   49    38    41    52   3.75450  1.0 1.0
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
   51    60    54    55  10.50000 -1.0 2.0
   63    67    66    73   1.10000 -1.0 2.0
   66    40    67    68   1.10000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
   72    74    73    66   1.10000 -1.0 2.0
END
