* LIGAND DATABASE FILE (OPLS2005)
*
001      88    87    155    230     457
    1     0 S   NP   _N1_     1    29.19109    92.97368   -27.43559
    2     1 S   H    _HN1     2     1.02948    88.02000    11.77758
    3     1 S   H    _H1_     3     1.02828    23.03410  -134.62127
    4     1 S   H    _H2_     4     1.02791   127.64706  -100.03185
    5     1 S   CT   _CA1     5     1.50113   107.13686   122.55424
    6     5 S   HC   _HA1     6     1.09573   105.18574    83.32526
    7     5 S   CO3  _C1_     7     1.53769   112.45267   -36.91905
    8     7 S   O2Z  _O11     8     1.26372   115.00999   -43.12672
    9     7 S   O2Z  _O12     9     1.26234   114.93470   135.96435
   10     5 S   CT   _CB1    10     1.53067   107.41877  -158.69970
   11    10 S   HC   HB11    11     1.09838   109.34705   -49.60622
   12    10 S   HC   HB12    12     1.09812   110.46553    66.98491
   13    10 S   CT   _CG1    13     1.53016   112.63232  -170.55914
   14    13 S   HC   HG11    14     1.09574   110.70126   -66.52535
   15    13 S   HC   HG12    15     1.09669   109.73320    52.72652
   16    13 S   C    _CD1    16     1.51805   112.06575   173.19732
   17    16 S   O    _OE1    17     1.22749   123.21374    10.30565
   18    16 S   N    _N2_    18     1.38648   111.79858  -169.79633
   19    18 S   H    _HN2    19     1.01584   118.99359     1.24301
   20    18 S   CT1  _CA2    20     1.46212   123.33508   176.70022
   21    20 S   HC   _HA2    21     1.09740   109.30044     5.04962
   22    20 S   C    _C2_    22     1.53623   108.76818  -110.39326
   23    22 S   O    _O2_    23     1.23068   122.24924  -148.88266
   24    20 S   CT   _CB2    32     1.53362   111.68787   127.01945
   25    24 S   HC   HB21    33     1.09493   109.84660    56.56281
   26    24 S   HC   HB22    34     1.09501   110.02362   175.64306
   27    22 S   N    _N3_    24     1.38318   113.79831    38.63257
   28    27 S   H    _HN3    25     1.01562   119.60266    -3.30849
   29    24 S   S    _SG2    35     1.82762   111.45131   -64.32463
   30    27 S   CT   _CA3    26     1.45287   123.27005   177.14782
   31    30 S   HC   HA31    27     1.09547   107.51527   -64.65916
   32    30 S   HC   HA32    28     1.09555   107.99215    51.79729
   33    29 S   CT   _C20    36     1.85281   100.09003  -168.36882
   34    33 S   HC   _H4_    37     1.09652   105.28347    50.78867
   35    30 S   CO3  _C3_    29     1.52972   114.03909   173.79483
   36    35 S   O2Z  _O31    30     1.26382   116.06412    -0.47601
   37    35 S   O2Z  _O32    31     1.26423   114.42255   179.58175
   38    33 S   CT   _C21    38     1.54220   111.71153   -67.18818
   39    38 S   HC   _H28    39     1.09673   109.56087    59.80189
   40    38 S   HC   _H29    40     1.09576   108.82219   173.27547
   41    33 S   CT   _C19    47     1.55000   107.99789   166.17809
   42    41 S   HC   _H3_    48     1.09723   110.17379    57.00340
   43    38 S   CT   _C22    41     1.52960   115.84448   -64.21768
   44    43 S   HC   _H30    42     1.09569   110.33655    61.56009
   45    43 S   HC   _H31    43     1.09573   110.07365   -56.97058
   46    41 S   CT   _C18    49     1.53943   115.23811   178.74727
   47    46 S   HC   _H26    50     1.09573   109.91915   -66.50254
   48    46 S   HC   _H27    51     1.09790   108.64043   177.67999
   49    41 S   OH   _O35    87     1.43429   110.03487   -59.98597
   50    49 S   HO   _H32    88     0.97337   106.85531    52.83694
   51    43 S   CO3  _C23    44     1.53399   114.72289  -177.58338
   52    51 S   O2Z  _O34    45     1.26514   114.00449   176.60437
   53    51 S   O2Z  _O33    46     1.26127   116.72918    -3.29699
   54    46 S   CM   _C17    52     1.50616   114.20708    58.62578
   55    54 S   HC   _H25    53     1.08780   116.42002    64.64788
   56    54 S   CM   _C16    54     1.34089   123.57817  -116.62606
   57    56 S   HC   _H24    55     1.08715   119.32671     1.14961
   58    56 S   CM   _C15    56     1.44555   123.56407  -178.25639
   59    58 S   HC   _H23    57     1.08734   117.29926     3.13388
   60    58 S   CM   _C14    58     1.34166   122.38932  -177.99289
   61    60 S   HC   _H22    59     1.08550   119.07744     1.29513
   62    60 S   CM   _C13    60     1.44545   123.39161  -177.37073
   63    62 S   HC   _H21    61     1.08858   116.42570     0.43251
   64    62 S   CM   _C12    62     1.34310   126.02645   178.60661
   65    64 S   HC   _H20    63     1.08935   117.07919  -178.07756
   66    64 S   CT   _C11    64     1.50372   127.67987     2.66756
   67    66 S   HC   _H18    65     1.09259   110.93525    29.21305
   68    66 S   HC   _H19    66     1.09743   108.05454   143.57928
   69    66 S   CM   _C10    67     1.50149   111.79376   -97.46146
   70    69 S   HC   _H17    68     1.08954   115.37149   -63.09868
   71    69 S   CM   _C9_    69     1.34309   127.70954   117.17671
   72    71 S   HC   _H16    70     1.08917   117.11727   179.98022
   73    71 S   CT   _C8_    71     1.50193   127.69446     0.22381
   74    73 S   HC   _H14    72     1.09692   108.33819   126.85533
   75    73 S   HC   _H15    73     1.09348   111.72499    10.38089
   76    73 S   CT   _C7_    74     1.53081   111.28100  -112.68364
   77    76 S   HC   _H12    75     1.09734   109.73953   -63.76656
   78    76 S   HC   _H13    76     1.09691   109.96164    53.47277
   79    76 S   CT   _C6_    77     1.53028   111.21952   174.74182
   80    79 S   HC   _H10    78     1.09693   109.50247   -57.57479
   81    79 S   HC   _H11    79     1.09676   109.63756    59.64134
   82    79 S   CT   _C5_    80     1.52840   111.40377  -178.80237
   83    82 S   HC   _H8_    81     1.09613   109.82936   -61.09329
   84    82 S   HC   _H9_    82     1.09614   109.96094    56.64008
   85    82 S   CT   _C4_    83     1.52027   111.43882   177.66334
   86    85 S   HC   _H5_    84     1.09427   110.89366   -60.44934
   87    85 S   HC   _H6_    85     1.09458   111.05424    60.04174
   88    85 S   HC   _H7_    86     1.09441   110.29125   179.91607
  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
  16   8   2   1   1  12   6   5  10   6   5   4   3   9   5   4
   2   1   2   1   1   6   3   6   3   6   3   6   3   7   3   7
   4   7   4   3   7   3   8   4   9   5   4   9   5   4   9   5
   4   6   5   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    46    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    51    41    42    46    47    48    54    49    50  
   38    39    40    43    41    42    46    49  
   36    37  
   37  
    0  
   39    40    43    44    45    51    52    53    41    42    46    49  
   40    43    44    45    51    41  
   43    44    45    51    41  
   42    46    47    48    54    55    56    49    50    43  
   46    47    48    54    49    50  
   44    45    51    52    53  
   45    51    52    53  
   51    52    53  
   47    48    54    55    56    57    58    49    50  
   48    54    55    56    49  
   54    55    56    49  
   50    54  
    0  
   52    53  
   53  
    0  
   55    56    57    58    59    60  
   56    57    58  
   57    58    59    60    61    62  
   58    59    60  
   59    60    61    62    63    64  
   60    61    62  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66    67    68    69    70    71  
   66    67    68    69  
   67    68    69    70    71    72    73  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73    74    75    76    77    78    79  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79    80    81    82    83    84    85  
   78    79    80    81    82  
   79    80    81    82  
   80    81    82    83    84    85    86    87    88  
   81    82    83    84    85  
   82    83    84    85  
   83    84    85    86    87    88  
   84    85    86    87    88  
   85    86    87    88  
   86    87    88  
   87    88  
   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   0.107500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    54   317.000  1.510
   54    55   340.000  1.080
   54    56   549.000  1.340
   56    57   340.000  1.080
   56    58   380.000  1.444
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   340.000  1.080
   60    62   380.000  1.444
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.510
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   340.000  1.090
   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   33    41    49    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    70.00000  109.69300
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    70.00000  117.00000
   43    51    53    70.00000  117.00000
   45    43    44    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    45    35.00000  109.50000
   53    51    52    80.00000  126.00000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    54    70.00000  112.02700
   41    49    50    55.00000  108.50000
   46    41    42    37.50000  110.70000
   46    54    55    35.00000  117.00000
   46    54    56    70.00000  124.00000
   48    46    47    33.00000  107.80000
   54    46    47    35.00000  109.50000
   54    46    48    35.00000  109.50000
   54    56    57    35.00000  120.00000
   54    56    58    70.00000  123.01800
   56    54    55    35.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    70.00000  123.01800
   58    56    57    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    70.00000  123.01800
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    70.00000  123.01800
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    69    70.00000  110.12100
   66    64    65    35.00000  117.00000
   66    69    70    35.00000  117.00000
   66    69    71    70.00000  124.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    35.00000  120.00000
   69    71    73    70.00000  124.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    70.00000  112.02700
   73    71    72    35.00000  117.00000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    79    80    37.50000  110.70000
   76    79    81    37.50000  110.70000
   76    79    82    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    37.50000  110.70000
   79    76    78    37.50000  110.70000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    37.50000  110.70000
   82    79    81    37.50000  110.70000
   82    85    86    37.50000  110.70000
   82    85    87    37.50000  110.70000
   82    85    88    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   87    85    86    33.00000  107.80000
   88    85    86    33.00000  107.80000
   88    85    87    33.00000  107.80000
   49    41    42    35.00000  109.50000
   49    41    46    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    49   0.56750  1.0 1.0
   29    33    41    49  -0.07550 -1.0 2.0
   29    33    41    49   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51  -1.63150  1.0 1.0
   33    38    43    51  -0.43550 -1.0 2.0
   33    38    43    51   0.24500  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    54   0.34400  1.0 1.0
   33    41    46    54   0.09450 -1.0 2.0
   33    41    46    54   0.11100  1.0 3.0
   33    41    49    50  -0.11600  1.0 1.0
   33    41    49    50  -0.09450 -1.0 2.0
   33    41    49    50   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   34    33    41    49   0.23400  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    33    41    49   0.86500  1.0 1.0
   38    33    41    49  -0.17500 -1.0 2.0
   38    33    41    49   0.20800  1.0 3.0
   38    43    51    52   0.41150 -1.0 2.0
   38    43    51    53   0.41150 -1.0 2.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51  -0.11250  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    51  -0.11250  1.0 3.0
   44    43    51    52   0.00000  1.0 1.0
   44    43    51    53   0.00000  1.0 1.0
   45    43    51    52   0.00000  1.0 1.0
   45    43    51    53   0.00000  1.0 1.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   41    46    54    55   0.00000  1.0 1.0
   41    46    54    56   0.09850  1.0 1.0
   41    46    54    56   0.15250 -1.0 2.0
   41    46    54    56  -0.50650  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    54   0.15000  1.0 3.0
   42    41    49    50   0.19450  1.0 3.0
   46    41    49    50  -0.11600  1.0 1.0
   46    41    49    50  -0.09450 -1.0 2.0
   46    41    49    50   0.21250  1.0 3.0
   46    54    56    57   7.00000 -1.0 2.0
   46    54    56    58   7.00000 -1.0 2.0
   47    46    54    55   0.33100  1.0 3.0
   47    46    54    56   0.00000  1.0 1.0
   48    46    54    55   0.33100  1.0 3.0
   48    46    54    56   0.00000  1.0 1.0
   54    56    58    59  -0.18600  1.0 3.0
   54    56    58    60   0.28850  1.0 1.0
   54    56    58    60   2.61350 -1.0 2.0
   54    56    58    60   0.78400  1.0 3.0
   55    54    56    57   7.00000 -1.0 2.0
   55    54    56    58   7.00000 -1.0 2.0
   56    58    60    61   7.00000 -1.0 2.0
   56    58    60    62   7.00000 -1.0 2.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    60  -0.18600  1.0 3.0
   58    60    62    63  -0.18600  1.0 3.0
   58    60    62    64   0.28850  1.0 1.0
   58    60    62    64   2.61350 -1.0 2.0
   58    60    62    64   0.78400  1.0 3.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    62    64    65   7.00000 -1.0 2.0
   60    62    64    66   7.00000 -1.0 2.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64  -0.18600  1.0 3.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.00000  1.0 1.0
   62    64    66    69  -0.28300  1.0 1.0
   62    64    66    69   0.26700 -1.0 2.0
   62    64    66    69  -0.63300  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71  -0.28300  1.0 1.0
   64    66    69    71   0.26700 -1.0 2.0
   64    66    69    71  -0.63300  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.33100  1.0 3.0
   65    64    66    69   0.00000  1.0 1.0
   66    69    71    72   7.00000 -1.0 2.0
   66    69    71    73   7.00000 -1.0 2.0
   67    66    69    70   0.33100  1.0 3.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.33100  1.0 3.0
   68    66    69    71   0.00000  1.0 1.0
   69    71    73    74   0.00000  1.0 1.0
   69    71    73    75   0.00000  1.0 1.0
   69    71    73    76   0.09850  1.0 1.0
   69    71    73    76   0.15250 -1.0 2.0
   69    71    73    76  -0.50650  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    76    77   0.15000  1.0 3.0
   71    73    76    78   0.15000  1.0 3.0
   71    73    76    79   0.34400  1.0 1.0
   71    73    76    79   0.09450 -1.0 2.0
   71    73    76    79   0.11100  1.0 3.0
   72    71    73    74   0.33100  1.0 3.0
   72    71    73    75   0.33100  1.0 3.0
   72    71    73    76   0.00000  1.0 1.0
   73    76    79    80   0.15000  1.0 3.0
   73    76    79    81   0.15000  1.0 3.0
   73    76    79    82   0.56750  1.0 1.0
   73    76    79    82  -0.07550 -1.0 2.0
   73    76    79    82   0.20000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    78   0.15000  1.0 3.0
   75    73    76    79   0.15000  1.0 3.0
   76    79    82    83   0.15000  1.0 3.0
   76    79    82    84   0.15000  1.0 3.0
   76    79    82    85   0.56750  1.0 1.0
   76    79    82    85  -0.07550 -1.0 2.0
   76    79    82    85   0.20000  1.0 3.0
   77    76    79    80   0.15000  1.0 3.0
   77    76    79    81   0.15000  1.0 3.0
   77    76    79    82   0.15000  1.0 3.0
   78    76    79    80   0.15000  1.0 3.0
   78    76    79    81   0.15000  1.0 3.0
   78    76    79    82   0.15000  1.0 3.0
   79    82    85    86   0.15000  1.0 3.0
   79    82    85    87   0.15000  1.0 3.0
   79    82    85    88   0.15000  1.0 3.0
   80    79    82    83   0.15000  1.0 3.0
   80    79    82    84   0.15000  1.0 3.0
   80    79    82    85   0.15000  1.0 3.0
   81    79    82    83   0.15000  1.0 3.0
   81    79    82    84   0.15000  1.0 3.0
   81    79    82    85   0.15000  1.0 3.0
   83    82    85    86   0.15000  1.0 3.0
   83    82    85    87   0.15000  1.0 3.0
   83    82    85    88   0.15000  1.0 3.0
   84    82    85    86   0.15000  1.0 3.0
   84    82    85    87   0.15000  1.0 3.0
   84    82    85    88   0.15000  1.0 3.0
   49    41    46    47   0.23400  1.0 3.0
   49    41    46    48   0.23400  1.0 3.0
   49    41    46    54   1.05650  1.0 1.0
   49    41    46    54   0.15600 -1.0 2.0
   49    41    46    54   0.53150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   52    43    51    53  10.50000 -1.0 2.0
   46    55    54    56  15.00000 -1.0 2.0
   58    57    56    54  15.00000 -1.0 2.0
   56    59    58    60  15.00000 -1.0 2.0
   62    61    60    58  15.00000 -1.0 2.0
   60    63    62    64  15.00000 -1.0 2.0
   66    65    64    62  15.00000 -1.0 2.0
   66    70    69    71  15.00000 -1.0 2.0
   73    72    71    69  15.00000 -1.0 2.0
END
