* LIGAND DATABASE FILE (OPLS2005)
*
001      88    89    161    244     475
    1     0 S   NP   _N1_     1    28.72167    95.61637   -20.82979
    2     1 S   H    _HN1     2     1.02772    83.80005   -99.72668
    3     1 S   H    _H1_     3     1.02964    86.33635     9.23916
    4     1 S   H    _H2_     4     1.02838    39.28760   131.82259
    5     1 S   CT   _CA1     5     1.50119   149.96090   135.09536
    6     5 S   HC   _HA1     6     1.09536   105.34544    57.14321
    7     5 S   CO3  _C1_     7     1.53957   112.51173   -63.54857
    8     7 S   O2Z  _O11     8     1.26368   115.02298   -34.92272
    9     7 S   O2Z  _O12     9     1.26285   115.27439   144.74262
   10     5 S   CT   _CB1    10     1.53162   107.52412   175.84480
   11    10 S   HC   HB11    11     1.09812   110.15744   -43.32509
   12    10 S   HC   HB12    12     1.09826   109.98645    73.44015
   13    10 S   CT   _CG1    13     1.52986   112.45161  -164.14742
   14    13 S   HC   HG11    14     1.09500   110.63027   -52.63619
   15    13 S   HC   HG12    15     1.09624   110.02669    66.46611
   16    13 S   C    _CD1    16     1.51697   112.40764  -172.63723
   17    16 S   O    _OE1    17     1.22684   123.38771    -6.66909
   18    16 S   N    _N2_    18     1.38551   111.38231   172.75313
   19    18 S   H    _HN2    19     1.01584   119.07190     4.56617
   20    18 S   CT1  _CA2    20     1.46193   123.53884  -173.31822
   21    20 S   HC   _HA2    21     1.09718   109.55957    -4.03755
   22    20 S   C    _C2_    22     1.53331   108.77793  -120.23919
   23    22 S   O    _O2_    23     1.23029   122.14896  -145.32424
   24    20 S   CT   _CB2    32     1.53566   110.49577   117.64821
   25    24 S   HC   HB21    33     1.09161   108.67067    58.46868
   26    24 S   HC   HB22    34     1.09508   110.52033   176.59510
   27    22 S   N    _N3_    24     1.38481   113.47881    42.04315
   28    27 S   H    _HN3    25     1.01510   118.95204    -0.44367
   29    24 S   S    _SG2    35     1.83099   110.93789   -64.13307
   30    27 S   CT   _CA3    26     1.45450   123.41815   175.30518
   31    30 S   HC   HA31    27     1.09525   109.22976    24.69931
   32    30 S   HC   HA32    28     1.09497   107.12345   141.67410
   33    29 S   CT   _C11    36     1.88126   103.61315   153.08000
   34    30 S   CO3  _C3_    29     1.52916   113.11488   -98.79117
   35    34 S   O2Z  _O31    30     1.26402   115.39370   -45.55291
   36    34 S   O2Z  _O32    31     1.26358   115.00352   135.41237
   37    33 S   CT   _C10    37     1.56443   103.00885   156.78871
   38    37 S   HC   _H15    38     1.09654   110.91934    62.07821
   39    37 S   HC   _H16    39     1.10221   107.54661   -49.54300
   40    33 S   CT   _C12    58     1.56560   109.87963   -81.92140
   41    40 S   HC   _H4_    59     1.08638   107.77718   176.79118
   42    33 S   CT   _C23    85     1.53972   110.24798    40.69283
   43    42 S   HC   _H27    86     1.09349   113.07129   -65.71175
   44    42 S   HC   _H28    87     1.09550   110.85427   175.70600
   45    42 S   HC   _H29    88     1.09613   111.56187    56.26056
   46    37 S   CT   _C9_    40     1.54892   120.99101  -169.25464
   47    46 S   HC   _H3_    41     1.09795   108.78672    67.08515
   48    40 S   OH   _O38    60     1.43246   110.61919    64.19281
   49    48 S   HO   _H26    61     0.97203   108.04194   169.66597
   50    46 S   CT   _C18    42     1.54583   117.53309   -55.49582
   51    50 S   HC   _H7_    43     1.09305   108.86835    67.67740
   52    46 S   OS   _O34    71     1.45705   105.87600  -176.11168
   53    50 S   CM   _C19    44     1.49698   111.44641  -172.72762
   54    52 S   CO4  _C8_    72     1.35878   117.94146   -89.21284
   55    54 S   O    _O33    73     1.22110   126.88657    -0.32686
   56    53 S   CO4  _C21    45     1.47400   109.42472   103.02669
   57    56 S   O    _O35    46     1.21728   127.05932  -170.64094
   58    53 S   CM   _C20    68     1.33560   128.22447   -78.43175
   59    58 S   HC   _H20    69     1.08496   120.78211     0.86638
   60    58 S   HC   _H21    70     1.08511   121.71737  -179.22899
   61    54 S   CM   _C6_    74     1.48471   108.59967  -179.92087
   62    56 S   OS   _O36    47     1.36225   107.00158     8.46376
   63    61 S   CM   _C5_    75     1.34479   120.48097  -135.68746
   64    63 S   HC   _H11    76     1.08925   117.80718  -177.66586
   65    61 S   CT   _C7_    81     1.50001   117.02516    46.63746
   66    65 S   HC   _H12    82     1.09469   110.64877   -71.53940
   67    65 S   HC   _H13    83     1.09510   110.45104    48.78038
   68    65 S   HC   _H14    84     1.09522   111.94499   168.37771
   69    50 S   CT   _C17    48     1.53268   114.95798   -59.09933
   70    69 S   HC   _H6_    49     1.08793   113.04104    18.14488
   71    63 S   CT   _C4_    77     1.49586   128.21646     4.11152
   72    71 S   HC   _H8_    78     1.09401   109.98178  -109.00628
   73    71 S   HC   _H9_    79     1.09505   109.33881   132.47158
   74    71 S   HC   _H10    80     1.09249   113.50006    13.13361
   75    69 S   CM   _C16    50     1.50931   113.07712   145.33458
   76    75 S   HC   _H19    51     1.09147   112.87277    76.92374
   77    75 S   CM   _C15    52     1.35017   130.58610  -104.74710
   78    77 S   CT   _C14    53     1.52162   129.77304     3.34445
   79    78 S   HC   _H5_    54     1.09807   107.30139   147.30802
   80    77 S   CT   _C22    64     1.51627   117.84368  -176.62090
   81    80 S   HC   _H22    65     1.09509   110.30311   122.07381
   82    80 S   HC   _H23    66     1.09518   112.82088     2.03817
   83    80 S   HC   _H24    67     1.09519   110.18179  -118.03283
   84    78 S   CT   _C13    55     1.53997   120.86416    25.10607
   85    84 S   HC   _H17    56     1.09898   106.92586   176.04349
   86    84 S   HC   _H18    57     1.08973   108.65182   -72.06193
   87    78 S   OH   _O37    62     1.43027   106.64279   -98.99802
   88    87 S   HO   _H25    63     0.97539   107.72645  -160.56255
  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
  19   2   1   1  18   7   6  15   7   6   2   1   1  14   6   5
   1  15   8   7   9   9   3   8   3   4   1   1  10   5   9   5
   4   2   1   1   6   3   3   2   1   1  10   3  11  10   6   5
   2   1   1   4   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    46    84    40    41    48    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    50    78    84    85    86    40    41    48    49    52    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    50    51    53    69    84    40    41    48    52    54    42    43    44    45  
   39    46    47    50    40    52    42  
   46    47    50    40    52    42  
   41    48    49    87    42    43    44    45    46    77    78    79    84    85    86  
   48    49    42    78    84    85    86  
   43    44    45    46    48    84  
   44    45  
   45  
    0  
   47    50    51    53    56    62    69    70    75    58    52    54    55    61  
   50    51    53    69    52    54  
   49    78    84    85    86  
   84  
   51    53    56    57    62    69    70    75    76    77    58    59    60    52    54  
   53    56    62    69    70    75    58    52  
   54    55    61    63    65    53    69  
   56    57    62    69    70    75    58    59    60  
   55    61    63    64    71    65    66    67    68  
   61    63    65  
   57    62    69    70    75    58    59    60  
   62    69    58  
   59    60    62    69  
   60  
    0  
   63    64    71    72    73    74    65    66    67    68  
   69    70    75    76    77  
   64    71    72    73    74    65    66    67    68  
   71    72    73    74    65  
   66    67    68    71  
   67    68  
   68  
    0  
   70    75    76    77    78    80  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    84    87    80    81    82    83  
   77    78    80  
   78    79    84    85    86    87    88    80    81    82    83  
   79    84    85    86    87    88    80    81    82    83  
   84    85    86    87    88    80  
   81    82    83    84    87  
   82    83  
   83  
    0  
   85    86    87    88  
   86    87  
   87  
   88  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   320.000  1.410
   50    51   340.000  1.090
   50    53   317.000  1.510
   50    69   268.000  1.529
   53    56   320.000  1.462
   53    58   549.000  1.340
   56    57   570.000  1.229
   56    62   214.000  1.327
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    75   317.000  1.510
   75    76   340.000  1.080
   75    77   549.000  1.340
   77    78   317.000  1.510
   77    80   317.000  1.510
   78    79   340.000  1.090
   78    84   268.000  1.529
   78    87   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   87    88   553.000  0.945
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   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   320.000  1.462
   61    63   549.000  1.340
   61    65   317.000  1.510
   63    64   340.000  1.080
   63    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    46    58.35000  112.70000
   33    40    84    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    50    58.35000  112.70000
   37    46    52    50.00000  109.50000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    53    70.00000  112.02700
   46    50    69    58.35000  112.70000
   46    52    54    83.00000  116.90000
   50    46    47    37.50000  110.70000
   50    53    56    65.00000  116.34900
   50    53    58    70.00000  124.00000
   50    69    62    50.00000  109.50000
   50    69    70    37.50000  110.70000
   50    69    75    70.00000  112.02700
   53    50    51    35.00000  109.50000
   53    56    57    80.00000  123.72100
   53    56    62    90.00000  111.29400
   53    58    59    35.00000  120.00000
   53    58    60    35.00000  120.00000
   56    62    69    83.00000  116.90000
   62    56    57    83.00000  123.40000
   62    69    70    35.00000  109.50000
   62    69    75    85.00000  110.90400
   69    50    51    37.50000  110.70000
   69    50    53    70.00000  112.02700
   69    75    76    35.00000  117.00000
   69    75    77    70.00000  124.00000
   75    69    70    35.00000  109.50000
   75    77    78    70.00000  124.00000
   75    77    80    70.00000  124.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  109.50000
   77    78    84    70.00000  112.02700
   77    78    87    90.00000  110.39200
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   78    84    85    37.50000  110.70000
   78    84    86    37.50000  110.70000
   78    84    40    58.35000  112.70000
   78    87    88    55.00000  108.50000
   84    78    79    37.50000  110.70000
   84    40    41    37.50000  110.70000
   84    40    48    50.00000  109.50000
   86    84    85    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    84    85    37.50000  110.70000
   40    84    86    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   87    78    79    35.00000  109.50000
   87    78    84    50.00000  109.50000
   80    77    78    65.00000  117.92700
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   58    53    56    65.00000  118.96000
   60    58    59    35.00000  117.00000
   52    46    47    35.00000  109.50000
   52    46    50    50.00000  109.50000
   52    54    55    83.00000  123.40000
   52    54    61    90.00000  111.29400
   54    61    63    65.00000  118.96000
   54    61    65    65.00000  116.34900
   61    54    55    80.00000  123.72100
   61    63    64    35.00000  120.00000
   61    63    71    70.00000  124.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   71    63    64    35.00000  117.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   65    61    63    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    84   0.44750  1.0 1.0
   29    33    40    84  -0.17800 -1.0 2.0
   29    33    40    84   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    50   0.56750  1.0 1.0
   33    37    46    50  -0.07550 -1.0 2.0
   33    37    46    50   0.20000  1.0 3.0
   33    37    46    52   0.62750  1.0 1.0
   33    37    46    52  -0.30950 -1.0 2.0
   33    37    46    52   0.27300  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   37    33    40    84   0.56750  1.0 1.0
   37    33    40    84  -0.07550 -1.0 2.0
   37    33    40    84   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    50    51   0.15000  1.0 3.0
   37    46    50    53   0.34400  1.0 1.0
   37    46    50    53   0.09450 -1.0 2.0
   37    46    50    53   0.11100  1.0 3.0
   37    46    50    69   0.56750  1.0 1.0
   37    46    50    69  -0.07550 -1.0 2.0
   37    46    50    69   0.20000  1.0 3.0
   37    46    52    54  -0.25900  1.0 1.0
   37    46    52    54  -0.47000 -1.0 2.0
   37    46    52    54   0.11750  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    50   0.15000  1.0 3.0
   38    37    46    52   0.23400  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    50   0.15000  1.0 3.0
   39    37    46    52   0.23400  1.0 3.0
   46    50    53    56   0.09700  1.0 1.0
   46    50    53    56   0.15600 -1.0 2.0
   46    50    53    56  -0.50800  1.0 3.0
   46    50    53    58   0.09850  1.0 1.0
   46    50    53    58   0.15250 -1.0 2.0
   46    50    53    58  -0.50650  1.0 3.0
   46    50    69    62   0.62750  1.0 1.0
   46    50    69    62  -0.30950 -1.0 2.0
   46    50    69    62   0.27300  1.0 3.0
   46    50    69    70   0.15000  1.0 3.0
   46    50    69    75   0.34400  1.0 1.0
   46    50    69    75   0.09450 -1.0 2.0
   46    50    69    75   0.11100  1.0 3.0
   46    52    54    55   3.00000 -1.0 2.0
   46    52    54    61   2.00000 -1.0 2.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   47    46    50    69   0.15000  1.0 3.0
   47    46    52    54   0.08050  1.0 3.0
   50    46    52    54  -0.25900  1.0 1.0
   50    46    52    54  -0.47000 -1.0 2.0
   50    46    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    62  -0.15000  1.0 1.0
   50    53   -56    62   0.89550 -1.0 2.0
   50    53   -56    62  -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    69    75    76   0.00000  1.0 1.0
   50    69    75    77   0.09850  1.0 1.0
   50    69    75    77   0.15250 -1.0 2.0
   50    69    75    77  -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    69    62   0.23400  1.0 3.0
   51    50    69    70   0.15000  1.0 3.0
   51    50    69    75   0.15000  1.0 3.0
   53    50   -69    62   0.61850  1.0 1.0
   53    50   -69    62  -0.22750 -1.0 2.0
   53    50   -69    62   0.15300  1.0 3.0
   53    50    69    70   0.15000  1.0 3.0
   53    50    69    75   0.31000  1.0 1.0
   53    50    69    75   0.14700 -1.0 2.0
   53    50    69    75   0.07550  1.0 3.0
   53    56   -62    69   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    62   -69    50  -0.25900  1.0 1.0
   56    62   -69    50  -0.47000 -1.0 2.0
   56    62   -69    50   0.11750  1.0 3.0
   56    62    69    70   0.08050  1.0 3.0
   56    62    69    75  -0.82050  1.0 1.0
   56    62    69    75   0.00600 -1.0 2.0
   56    62    69    75   0.04400  1.0 3.0
   57    56    62    69   3.00000 -1.0 2.0
   62    69    75    76   0.00000  1.0 1.0
   62    69    75    77   0.39000  1.0 1.0
   62    69    75    77  -0.05800 -1.0 2.0
   62    69    75    77  -0.55150  1.0 3.0
   69    50   -53    56   0.09700  1.0 1.0
   69    50   -53    56   0.15600 -1.0 2.0
   69    50   -53    56  -0.50800  1.0 3.0
   69    50    53    58   0.09850  1.0 1.0
   69    50    53    58   0.15250 -1.0 2.0
   69    50    53    58  -0.50650  1.0 3.0
   69    75    77    78   7.00000 -1.0 2.0
   69    75    77    80   7.00000 -1.0 2.0
   70    69    75    76   0.33100  1.0 3.0
   70    69    75    77   0.00000  1.0 1.0
   75    77    78    79   0.00000  1.0 1.0
   75    77    78    84   0.09850  1.0 1.0
   75    77    78    84   0.15250 -1.0 2.0
   75    77    78    84  -0.50650  1.0 3.0
   75    77    78    87   0.67800  1.0 1.0
   75    77    78    87   0.47050 -1.0 2.0
   75    77    78    87  -0.62500  1.0 3.0
   75    77    80    81   0.00000  1.0 1.0
   75    77    80    82   0.00000  1.0 1.0
   75    77    80    83   0.00000  1.0 1.0
   76    75    77    78   7.00000 -1.0 2.0
   76    75    77    80   7.00000 -1.0 2.0
   77    78    84    85   0.15000  1.0 3.0
   77    78    84    86   0.15000  1.0 3.0
   77    78    84    40   0.34400  1.0 1.0
   77    78    84    40   0.09450 -1.0 2.0
   77    78    84    40   0.11100  1.0 3.0
   77    78    87    88  -0.07800  1.0 1.0
   77    78    87    88  -0.21500 -1.0 2.0
   77    78    87    88  -0.03150  1.0 3.0
   78    77    80    81   0.34800  1.0 3.0
   78    77    80    82   0.34800  1.0 3.0
   78    77    80    83   0.34800  1.0 3.0
   78    84    40    33   0.56750  1.0 1.0
   78    84    40    33  -0.07550 -1.0 2.0
   78    84    40    33   0.20000  1.0 3.0
   78    84    40    41   0.15000  1.0 3.0
   78    84    40    48   0.86500  1.0 1.0
   78    84    40    48  -0.17500 -1.0 2.0
   78    84    40    48   0.20800  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    40   0.15000  1.0 3.0
   79    78    87    88   0.19450  1.0 3.0
   84    78    87    88  -0.11600  1.0 1.0
   84    78    87    88  -0.09450 -1.0 2.0
   84    78    87    88   0.21250  1.0 3.0
   84    40    48    49  -0.11600  1.0 1.0
   84    40    48    49  -0.09450 -1.0 2.0
   84    40    48    49   0.21250  1.0 3.0
   85    84    40    33   0.15000  1.0 3.0
   85    84    40    41   0.15000  1.0 3.0
   85    84    40    48   0.23400  1.0 3.0
   86    84    40    33   0.15000  1.0 3.0
   86    84    40    41   0.15000  1.0 3.0
   86    84    40    48   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    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   87    78    84    85   0.23400  1.0 3.0
   87    78    84    86   0.23400  1.0 3.0
   87    78    84    40   0.86500  1.0 1.0
   87    78    84    40  -0.17500 -1.0 2.0
   87    78    84    40   0.20800  1.0 3.0
   80    77    78    79   0.34800  1.0 3.0
   80    77    78    84   0.46850  1.0 1.0
   80    77    78    84   0.08550 -1.0 2.0
   80    77    78    84   0.09800  1.0 3.0
   80    77    78    87   0.18000  1.0 1.0
   80    77    78    87   0.16450 -1.0 2.0
   80    77    78    87   0.04450  1.0 3.0
   58    53    56    57   1.00000 -1.0 2.0
   58    53    56    62  -0.56150  1.0 1.0
   58    53    56    62   2.19150 -1.0 2.0
   52    46    50    51   0.23400  1.0 3.0
   52    46    50    53   0.61850  1.0 1.0
   52    46    50    53  -0.22750 -1.0 2.0
   52    46    50    53   0.15300  1.0 3.0
   52    46    50    69   0.62750  1.0 1.0
   52    46    50    69  -0.30950 -1.0 2.0
   52    46    50    69   0.27300  1.0 3.0
   52    54    61    63  -0.56150  1.0 1.0
   52    54    61    63   2.19150 -1.0 2.0
   52    54    61    65  -0.15000  1.0 1.0
   52    54    61    65   0.89550 -1.0 2.0
   52    54    61    65  -0.06900  1.0 3.0
   54    61    63    64   7.00000 -1.0 2.0
   54    61    63    71   7.00000 -1.0 2.0
   54    61    65    66   0.15000  1.0 3.0
   54    61    65    67   0.15000  1.0 3.0
   54    61    65    68   0.15000  1.0 3.0
   55    54    61    63   1.00000 -1.0 2.0
   55    54    61    65  -0.64400  1.0 1.0
   55    54    61    65   0.26850 -1.0 2.0
   61    63    71    72   0.00000  1.0 1.0
   61    63    71    73   0.00000  1.0 1.0
   61    63    71    74   0.00000  1.0 1.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    67   0.00000  1.0 1.0
   63    61    65    68   0.00000  1.0 1.0
   64    63    71    72   0.33100  1.0 3.0
   64    63    71    73   0.33100  1.0 3.0
   64    63    71    74   0.33100  1.0 3.0
   65    61    63    64   7.00000 -1.0 2.0
   65    61    63    71   7.00000 -1.0 2.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    84   0.56750  1.0 1.0
   42    33    40    84  -0.07550 -1.0 2.0
   42    33    40    84   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  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    62    56    57  10.50000 -1.0 2.0
   69    76    75    77   1.10000 -1.0 2.0
   78    80    77    75   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
   54    65    61    63  15.00000 -1.0 2.0
   71    64    63    61  15.00000 -1.0 2.0
END
