* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    162    252     485
    1     0 S   NP   _N1_     1    28.64897    93.80368   -21.17114
    2     1 S   H    _HN1     2     1.02966    95.25299    43.06127
    3     1 S   H    _H1_     3     1.02833    25.10685   162.87535
    4     1 S   H    _H2_     4     1.02775    91.65075   -65.51027
    5     1 S   CT   _CA1     5     1.50134   135.74261   169.57200
    6     5 S   HC   _HA1     6     1.09576   105.23270    56.13412
    7     5 S   CO3  _C1_     7     1.53810   112.39328   -64.02878
    8     7 S   O2Z  _O11     8     1.26355   115.03014   -42.98034
    9     7 S   O2Z  _O12     9     1.26249   114.92579   136.17971
   10     5 S   CT   _CB1    10     1.53085   107.39336   174.00554
   11    10 S   HC   HB11    11     1.09820   109.31323   -50.89415
   12    10 S   HC   HB12    12     1.09837   110.38945    65.61730
   13    10 S   CT   _CG1    13     1.53024   112.73490  -172.08359
   14    13 S   HC   HG11    14     1.09596   110.26907   -62.39975
   15    13 S   HC   HG12    15     1.09627   110.19738    56.84977
   16    13 S   C    _CD1    16     1.51789   112.16319   177.05609
   17    16 S   O    _OE1    17     1.22745   123.18089   -10.89522
   18    16 S   N    _N2_    18     1.38668   111.73170   169.59196
   19    18 S   H    _HN2    19     1.01580   119.12430     1.70088
   20    18 S   CT1  _CA2    20     1.46243   123.22773  -177.07879
   21    20 S   HC   _HA2    21     1.09743   109.27269   -14.08035
   22    20 S   C    _C2_    22     1.53412   108.56738  -129.83892
   23    22 S   O    _O2_    23     1.23019   122.21899  -146.89619
   24    20 S   CT   _CB2    32     1.53770   111.47319   107.79557
   25    24 S   HC   HB21    33     1.09337   109.12344    58.26753
   26    24 S   HC   HB22    34     1.09437   109.48035   176.93727
   27    22 S   N    _N3_    24     1.38507   113.38522    40.53919
   28    27 S   H    _HN3    25     1.01531   118.88954    -0.62495
   29    24 S   S    _SG2    35     1.82970   111.03647   -63.83890
   30    27 S   CT   _CA3    26     1.45451   123.45921   175.16929
   31    30 S   HC   HA31    27     1.09523   109.24583    24.15542
   32    30 S   HC   HA32    28     1.09496   107.11661   141.15195
   33    29 S   CT   _C10    36     1.92153   104.02228   168.13085
   34    30 S   CO3  _C3_    29     1.52923   113.11910   -99.33602
   35    34 S   O2Z  _O31    30     1.26403   115.40225   -44.66614
   36    34 S   O2Z  _O32    31     1.26356   114.98771   136.27750
   37    33 S   CT   _C9_    37     1.58121    99.12939   160.40043
   38    37 S   HC   _H15    38     1.10276   107.72444   -42.15826
   39    37 S   HC   _H16    39     1.08608   109.57107  -149.06410
   40    33 S   CT   _C11    59     1.58678   109.13456    46.43325
   41    40 S   HC   _H4_    60     1.09857   107.55903    35.79352
   42    33 S   CO   _C22    67     1.57769   103.91770   -74.21471
   43    42 S   HC   _H7_    68     1.09356   107.52044    34.65176
   44    37 S   CT   _C8_    40     1.55472   123.43725    84.83795
   45    44 S   HC   _H3_    41     1.08756   114.35774   -12.39417
   46    40 S   OH   _O39    61     1.43028   110.84845   -79.82161
   47    46 S   HO   _H27    62     0.97239   107.95233   172.13471
   48    42 S   OH   _O38    69     1.41779   114.52135   -80.86114
   49    48 S   HO   _H26    70     0.97230   107.51902   140.71624
   50    44 S   CT   _C17    42     1.55534   112.23188   114.58014
   51    50 S   HC   _H6_    43     1.10187   107.78777    60.84935
   52    44 S   OS   _O34    74     1.46196   105.21804  -131.20738
   53    50 S   CM   _C18    44     1.49894   119.47664  -179.32798
   54    52 S   CO4  _C7_    75     1.36629   118.05980    98.86460
   55    54 S   O    _O33    76     1.22321   126.01529     4.08533
   56    53 S   CO4  _C20    45     1.48584   107.16851   157.80066
   57    56 S   O    _O35    46     1.21718   127.22064   164.36360
   58    53 S   CM   _C19    71     1.33518   132.04646   -19.29085
   59    58 S   HC   _H22    72     1.08254   121.90776    -1.35768
   60    58 S   HC   _H23    73     1.08569   121.42914   178.37370
   61    54 S   CT   _C5_    77     1.51747   109.30086  -175.54799
   62    61 S   HC   _H11    78     1.09709   107.97221   -41.30341
   63    56 S   OS   _O36    47     1.36778   106.78318   -14.39493
   64    61 S   CT   _C4_    79     1.52414   109.52006    78.29822
   65    64 S   HC   _H8_    80     1.09584   111.23549    59.96137
   66    64 S   HC   _H9_    81     1.09543   111.01447   -59.51246
   67    64 S   HC   _H10    82     1.09484   110.93159  -179.50032
   68    61 S   CT   _C6_    83     1.52633   110.72944  -158.94987
   69    68 S   HC   _H12    84     1.09580   111.49409   -62.93767
   70    68 S   HC   _H13    85     1.09496   110.79748   176.68979
   71    68 S   HC   _H14    86     1.09552   110.78443    56.81280
   72    50 S   CT   _C16    48     1.53325   116.53485   -63.21704
   73    72 S   HC   _H5_    49     1.09371   110.16166   -52.61258
   74    72 S   CM   _C15    50     1.50236   112.73471    73.66729
   75    74 S   HC   _H21    51     1.08947   115.34236    53.85474
   76    74 S   CM   _C14    52     1.34744   125.14740  -113.50447
   77    76 S   CT   _C13    53     1.50980   120.92000   159.40255
   78    77 S   HC   _H19    54     1.09796   109.22661    49.11434
   79    77 S   HC   _H20    55     1.09726   110.24932   164.27490
   80    76 S   CT   _C21    63     1.49783   124.45252   -15.20785
   81    80 S   HC   _H24    64     1.09698   107.90477  -123.53359
   82    80 S   HC   _H25    65     1.09172   115.43306    -6.88282
   83    77 S   CT   _C12    56     1.54268   113.93187   -72.55864
   84    83 S   HC   _H17    57     1.09569   109.29474    72.09826
   85    83 S   HC   _H18    58     1.09966   105.66963  -176.12374
   86    80 S   OS   _O37    66     1.41487   110.99349   119.79435
  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
  21   2   1   1  18   7   6  15   7  11   4  14   6   5   1   3
   1  15   8   8   9  11   4   8   3   4   1   1   9   8   5   7
   3   2   1   3   2   1   1   6   3  10   3  10   9   5   4   4
   2   1   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    83    40    41    46    86    42    43    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    50    77    83    84    85    40    41    46    47    80    86    42    43    48    49    52  
   35    36  
   36  
    0  
   38    39    44    45    50    51    53    72    83    40    41    46    86    42    43    48    52    54  
   39    44    45    50    40    42    52  
   44    45    50    40    42    52  
   41    46    47    86    42    43    48    44    76    77    78    79    83    84    85  
   46    47    42    77    83    84    85  
   43    48    49    44    46    76    80    81    82    83    86  
   48    49    80    86  
   45    50    51    53    56    63    72    73    74    58    52    54    55    61  
   50    51    53    72    52    54  
   47    77    83    84    85  
   83  
   49    80    86  
   86  
   51    53    56    57    63    72    73    74    75    76    58    59    60    52    54  
   53    56    63    72    73    74    58    52  
   54    55    61    62    64    68    53    72  
   56    57    63    72    73    74    58    59    60  
   55    61    62    64    65    66    67    68    69    70    71  
   61    62    64    68  
   57    63    72    73    74    58    59    60  
   63    72    58  
   59    60    63    72  
   60  
    0  
   62    64    65    66    67    68    69    70    71  
   64    65    66    67    68    69    70    71  
   72    73    74    75    76  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    80  
   74    75    76  
   75    76    77    78    79    83    80    81    82    86  
   76    77    80  
   77    78    79    83    84    85    80    81    82    86  
   78    79    83    84    85    80    81    82    86  
   79    83    84    85    80  
   83    84    85    80  
   81    82    86    83  
   82    86  
   86  
   84    85  
   85  
    0  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   33    42   250.000  1.527
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    50   268.000  1.529
   44    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    72   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    63   214.000  1.327
   63    72   320.000  1.410
   72    73   340.000  1.090
   72    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    80   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    40   268.000  1.529
   40    41   340.000  1.090
   40    46   320.000  1.410
   46    47   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    86   320.000  1.410
   86    42   320.000  1.380
   42    43   340.000  1.090
   42    48   380.000  1.407
   48    49   553.000  0.945
   58    59   340.000  1.080
   58    60   340.000  1.080
   52    54   214.000  1.327
   54    55   570.000  1.229
   54    61   317.000  1.522
   61    62   340.000  1.090
   61    64   268.000  1.529
   61    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    40    83    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    46    50.00000  109.50000
   33    42    86    90.00000  108.56700
   33    42    43    45.00000  112.01100
   33    42    48    90.00000  110.19100
   37    44    45    37.50000  110.70000
   37    44    50    58.35000  112.70000
   37    44    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    53    70.00000  112.02700
   44    50    72    58.35000  112.70000
   44    52    54    83.00000  116.90000
   50    44    45    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    72    63    50.00000  109.50000
   50    72    73    37.50000  110.70000
   50    72    74    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    63    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    63    72    83.00000  116.90000
   63    56    57    83.00000  123.40000
   63    72    73    35.00000  109.50000
   63    72    74    85.00000  110.90400
   72    50    51    37.50000  110.70000
   72    50    53    70.00000  112.02700
   72    74    75    35.00000  117.00000
   72    74    76    70.00000  124.00000
   74    72    73    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    80    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    83    70.00000  112.02700
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    86    85.00000  110.90400
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    40    58.35000  112.70000
   79    77    78    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    37.50000  110.70000
   83    40    41    37.50000  110.70000
   83    40    46    50.00000  109.50000
   85    83    84    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    83    84    37.50000  110.70000
   40    83    85    37.50000  110.70000
   40    46    47    55.00000  108.50000
   46    40    41    35.00000  109.50000
   80    76    77    65.00000  117.92700
   80    86    42    60.00000  109.50000
   82    80    81    33.00000  107.80000
   86    80    81    35.00000  109.50000
   86    80    82    35.00000  109.50000
   86    42    43    35.00000  109.50000
   86    42    48   110.00000  112.08000
   42    33    37    75.00000  109.43000
   42    33    40    75.00000  109.43000
   42    48    49    70.00000  107.92000
   48    42    43    60.00000  108.02500
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    44    45    35.00000  109.50000
   52    44    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    81.00000  111.40000
   54    61    62    35.00000  109.50000
   54    61    64    63.00000  111.10000
   54    61    68    63.00000  111.10000
   61    54    55    80.00000  120.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   64    61    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    62    37.50000  110.70000
   68    61    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    40    83   0.44750  1.0 1.0
   29    33    40    83  -0.17800 -1.0 2.0
   29    33    40    83   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    46   0.56750  1.0 1.0
   29    33    40    46  -0.07550 -1.0 2.0
   29    33    40    46   0.20000  1.0 3.0
   29    33    42    86   0.56750  1.0 1.0
   29    33    42    86  -0.07550 -1.0 2.0
   29    33    42    86   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    48   0.56750  1.0 1.0
   29    33    42    48  -0.07550 -1.0 2.0
   29    33    42    48   0.20000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    50   0.56750  1.0 1.0
   33    37    44    50  -0.07550 -1.0 2.0
   33    37    44    50   0.20000  1.0 3.0
   33    37    44    52   0.62750  1.0 1.0
   33    37    44    52  -0.30950 -1.0 2.0
   33    37    44    52   0.27300  1.0 3.0
   33    40    46    47  -0.11600  1.0 1.0
   33    40    46    47  -0.09450 -1.0 2.0
   33    40    46    47   0.21250  1.0 3.0
   33    42    48    49  -0.11600  1.0 1.0
   33    42    48    49  -0.09450 -1.0 2.0
   33    42    48    49   0.21250  1.0 3.0
   37    33    40    83   0.56750  1.0 1.0
   37    33    40    83  -0.07550 -1.0 2.0
   37    33    40    83   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    46   0.86500  1.0 1.0
   37    33    40    46  -0.17500 -1.0 2.0
   37    33    40    46   0.20800  1.0 3.0
   37    33    42    86   0.62750  1.0 1.0
   37    33    42    86  -0.30950 -1.0 2.0
   37    33    42    86   0.27300  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    48   0.86500  1.0 1.0
   37    33    42    48  -0.17500 -1.0 2.0
   37    33    42    48   0.20800  1.0 3.0
   37    44    50    51   0.15000  1.0 3.0
   37    44    50    53   0.34400  1.0 1.0
   37    44    50    53   0.09450 -1.0 2.0
   37    44    50    53   0.11100  1.0 3.0
   37    44    50    72   0.56750  1.0 1.0
   37    44    50    72  -0.07550 -1.0 2.0
   37    44    50    72   0.20000  1.0 3.0
   37    44    52    54  -0.25900  1.0 1.0
   37    44    52    54  -0.47000 -1.0 2.0
   37    44    52    54   0.11750  1.0 3.0
   38    37    44    45   0.15000  1.0 3.0
   38    37    44    50   0.15000  1.0 3.0
   38    37    44    52   0.23400  1.0 3.0
   39    37    44    45   0.15000  1.0 3.0
   39    37    44    50   0.15000  1.0 3.0
   39    37    44    52   0.23400  1.0 3.0
   44    50    53    56   0.09700  1.0 1.0
   44    50    53    56   0.15600 -1.0 2.0
   44    50    53    56  -0.50800  1.0 3.0
   44    50    53    58   0.09850  1.0 1.0
   44    50    53    58   0.15250 -1.0 2.0
   44    50    53    58  -0.50650  1.0 3.0
   44    50    72    63   0.62750  1.0 1.0
   44    50    72    63  -0.30950 -1.0 2.0
   44    50    72    63   0.27300  1.0 3.0
   44    50    72    73   0.15000  1.0 3.0
   44    50    72    74   0.34400  1.0 1.0
   44    50    72    74   0.09450 -1.0 2.0
   44    50    72    74   0.11100  1.0 3.0
   44    52    54    55   3.00000 -1.0 2.0
   44    52    54    61   1.63150  1.0 1.0
   44    52    54    61   2.92000 -1.0 2.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    53   0.15000  1.0 3.0
   45    44    50    72   0.15000  1.0 3.0
   45    44    52    54   0.08050  1.0 3.0
   50    44    52    54  -0.25900  1.0 1.0
   50    44    52    54  -0.47000 -1.0 2.0
   50    44    52    54   0.11750  1.0 3.0
   50    53    56    57  -0.64400  1.0 1.0
   50    53    56    57   0.26850 -1.0 2.0
   50    53   -56    63  -0.15000  1.0 1.0
   50    53   -56    63   0.89550 -1.0 2.0
   50    53   -56    63  -0.06900  1.0 3.0
   50    53    58    59   7.00000 -1.0 2.0
   50    53    58    60   7.00000 -1.0 2.0
   50    72    74    75   0.00000  1.0 1.0
   50    72    74    76   0.09850  1.0 1.0
   50    72    74    76   0.15250 -1.0 2.0
   50    72    74    76  -0.50650  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    53    58   0.00000  1.0 1.0
   51    50    72    63   0.23400  1.0 3.0
   51    50    72    73   0.15000  1.0 3.0
   51    50    72    74   0.15000  1.0 3.0
   53    50   -72    63   0.61850  1.0 1.0
   53    50   -72    63  -0.22750 -1.0 2.0
   53    50   -72    63   0.15300  1.0 3.0
   53    50    72    73   0.15000  1.0 3.0
   53    50    72    74   0.31000  1.0 1.0
   53    50    72    74   0.14700 -1.0 2.0
   53    50    72    74   0.07550  1.0 3.0
   53    56   -63    72   2.00000 -1.0 2.0
   56    53    58    59   7.00000 -1.0 2.0
   56    53    58    60   7.00000 -1.0 2.0
   56    63   -72    50  -0.25900  1.0 1.0
   56    63   -72    50  -0.47000 -1.0 2.0
   56    63   -72    50   0.11750  1.0 3.0
   56    63    72    73   0.08050  1.0 3.0
   56    63    72    74  -0.82050  1.0 1.0
   56    63    72    74   0.00600 -1.0 2.0
   56    63    72    74   0.04400  1.0 3.0
   57    56    63    72   3.00000 -1.0 2.0
   63    72    74    75   0.00000  1.0 1.0
   63    72    74    76   0.39000  1.0 1.0
   63    72    74    76  -0.05800 -1.0 2.0
   63    72    74    76  -0.55150  1.0 3.0
   72    50   -53    56   0.09700  1.0 1.0
   72    50   -53    56   0.15600 -1.0 2.0
   72    50   -53    56  -0.50800  1.0 3.0
   72    50    53    58   0.09850  1.0 1.0
   72    50    53    58   0.15250 -1.0 2.0
   72    50    53    58  -0.50650  1.0 3.0
   72    74    76    77   7.00000 -1.0 2.0
   72    74    76    80   7.00000 -1.0 2.0
   73    72    74    75   0.33100  1.0 3.0
   73    72    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    83   0.09850  1.0 1.0
   74    76    77    83   0.15250 -1.0 2.0
   74    76    77    83  -0.50650  1.0 3.0
   74    76    80    81   0.00000  1.0 1.0
   74    76    80    82   0.00000  1.0 1.0
   74    76    80    86   0.39000  1.0 1.0
   74    76    80    86  -0.05800 -1.0 2.0
   74    76    80    86  -0.55150  1.0 3.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    80   7.00000 -1.0 2.0
   76    77    83    84   0.15000  1.0 3.0
   76    77    83    85   0.15000  1.0 3.0
   76    77    83    40   0.34400  1.0 1.0
   76    77    83    40   0.09450 -1.0 2.0
   76    77    83    40   0.11100  1.0 3.0
   76    80    86    42  -0.77900  1.0 1.0
   76    80    86    42  -0.36900 -1.0 2.0
   76    80    86    42   0.40400  1.0 3.0
   77    76    80    81   0.34800  1.0 3.0
   77    76    80    82   0.34800  1.0 3.0
   77    76    80    86   0.09700  1.0 1.0
   77    76    80    86   0.15600 -1.0 2.0
   77    76    80    86  -0.50800  1.0 3.0
   77    83    40    33   0.56750  1.0 1.0
   77    83    40    33  -0.07550 -1.0 2.0
   77    83    40    33   0.20000  1.0 3.0
   77    83    40    41   0.15000  1.0 3.0
   77    83    40    46   0.86500  1.0 1.0
   77    83    40    46  -0.17500 -1.0 2.0
   77    83    40    46   0.20800  1.0 3.0
   78    77    83    84   0.15000  1.0 3.0
   78    77    83    85   0.15000  1.0 3.0
   78    77    83    40   0.15000  1.0 3.0
   79    77    83    84   0.15000  1.0 3.0
   79    77    83    85   0.15000  1.0 3.0
   79    77    83    40   0.15000  1.0 3.0
   83    40    46    47  -0.11600  1.0 1.0
   83    40    46    47  -0.09450 -1.0 2.0
   83    40    46    47   0.21250  1.0 3.0
   84    83    40    33   0.15000  1.0 3.0
   84    83    40    41   0.15000  1.0 3.0
   84    83    40    46   0.23400  1.0 3.0
   85    83    40    33   0.15000  1.0 3.0
   85    83    40    41   0.15000  1.0 3.0
   85    83    40    46   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    42    86   0.62750  1.0 1.0
   40    33    42    86  -0.30950 -1.0 2.0
   40    33    42    86   0.27300  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    48   0.86500  1.0 1.0
   40    33    42    48  -0.17500 -1.0 2.0
   40    33    42    48   0.20800  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   80    76    77    78   0.34800  1.0 3.0
   80    76    77    79   0.34800  1.0 3.0
   80    76    77    83   0.46850  1.0 1.0
   80    76    77    83   0.08550 -1.0 2.0
   80    76    77    83   0.09800  1.0 3.0
   80    86    42    33   0.06250  1.0 1.0
   80    86    42    33  -0.01100 -1.0 2.0
   80    86    42    33   0.28050  1.0 3.0
   80    86    42    43   0.37050  1.0 3.0
   80    86    42    48  -0.70900  1.0 1.0
   80    86    42    48  -1.18000 -1.0 2.0
   80    86    42    48   0.91650  1.0 3.0
   81    80    86    42   0.37050  1.0 3.0
   82    80    86    42   0.37050  1.0 3.0
   86    42    48    49  -0.50000  1.0 1.0
   86    42    48    49  -0.73950 -1.0 2.0
   86    42    48    49   0.17150  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    44   3.97050  1.0 1.0
   42    33    40    83   3.97050  1.0 1.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    46   0.86500  1.0 1.0
   42    33    40    46  -0.17500 -1.0 2.0
   42    33    40    46   0.20800  1.0 3.0
   43    42    48    49   0.19450  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    63  -0.56150  1.0 1.0
   58    53    56    63   2.19150 -1.0 2.0
   52    44    50    51   0.23400  1.0 3.0
   52    44    50    53   0.61850  1.0 1.0
   52    44    50    53  -0.22750 -1.0 2.0
   52    44    50    53   0.15300  1.0 3.0
   52    44    50    72   0.62750  1.0 1.0
   52    44    50    72  -0.30950 -1.0 2.0
   52    44    50    72   0.27300  1.0 3.0
   52    54    61    62   0.00000  1.0 1.0
   52    54    61    64   0.36750  1.0 3.0
   52    54    61    68   0.36750  1.0 3.0
   54    61    64    65  -0.11250  1.0 3.0
   54    61    64    66  -0.11250  1.0 3.0
   54    61    64    67  -0.11250  1.0 3.0
   54    61    68    69  -0.11250  1.0 3.0
   54    61    68    70  -0.11250  1.0 3.0
   54    61    68    71  -0.11250  1.0 3.0
   55    54    61    62   0.00000  1.0 1.0
   55    54    61    64   0.30150 -1.0 2.0
   55    54    61    68   0.30150 -1.0 2.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   62    61    68    71   0.15000  1.0 3.0
   64    61    68    69   0.15000  1.0 3.0
   64    61    68    70   0.15000  1.0 3.0
   64    61    68    71   0.15000  1.0 3.0
   68    61    64    65   0.15000  1.0 3.0
   68    61    64    66   0.15000  1.0 3.0
   68    61    64    67   0.15000  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
   50    56    53    58   1.10000 -1.0 2.0
   53    63    56    57  10.50000 -1.0 2.0
   72    75    74    76   1.10000 -1.0 2.0
   77    80    76    74   1.10000 -1.0 2.0
   59    60    58    53   1.10000 -1.0 2.0
   52    61    54    55  10.50000 -1.0 2.0
END
