* LIGAND DATABASE FILE (OPLS2005)
*
001      90    94    179    305     552
    1     0 S   NP   _N1_     1    29.17125    93.34968   -25.12689
    2     1 S   H    _HN1     2     1.02788   113.07315  -103.94929
    3     1 S   H    _H1_     3     1.02949    92.24204     7.11260
    4     1 S   H    _H2_     4     1.02828    14.86477  -176.28875
    5     1 S   CT   _CA1     5     1.50109   118.44879   121.82616
    6     5 S   HC   _HA1     6     1.09572   105.20084    73.26632
    7     5 S   CO3  _C1_     7     1.53786   112.47162   -47.00089
    8     7 S   O2Z  _O11     8     1.26374   115.00604   -42.54732
    9     7 S   O2Z  _O12     9     1.26239   114.95520   136.61060
   10     5 S   CT   _CB1    10     1.53076   107.42193  -168.72348
   11    10 S   HC   HB11    11     1.09834   109.39536   -49.52751
   12    10 S   HC   HB12    12     1.09813   110.44261    67.08879
   13    10 S   CT   _CG1    13     1.52991   112.59609  -170.48593
   14    13 S   HC   HG11    14     1.09580   110.65663   -65.53000
   15    13 S   HC   HG12    15     1.09669   109.76780    53.70758
   16    13 S   C    _CD1    16     1.51793   112.19074   174.19988
   17    16 S   O    _OE1    17     1.22731   123.26316     7.87796
   18    16 S   N    _N2_    18     1.38645   111.68572  -172.22615
   19    18 S   H    _HN2    19     1.01569   118.94738     1.90967
   20    18 S   CT1  _CA2    20     1.46251   123.42856   177.68565
   21    20 S   HC   _HA2    21     1.09740   109.37044     4.57072
   22    20 S   C    _C2_    22     1.53603   108.48891  -110.91112
   23    22 S   O    _O2_    23     1.23055   122.34316  -146.83199
   24    20 S   CT   _CB2    32     1.53541   111.62338   126.60289
   25    24 S   HC   HB21    33     1.09488   109.38459    56.32939
   26    24 S   HC   HB22    34     1.09315   109.55901   175.27379
   27    22 S   N    _N3_    24     1.38349   113.70601    40.52827
   28    27 S   H    _HN3    25     1.01569   119.59755    -3.03551
   29    24 S   S    _SG2    35     1.83020   110.98299   -64.10336
   30    27 S   CT   _CA3    26     1.45285   123.23152   177.25248
   31    30 S   HC   HA31    27     1.09547   107.48917   -65.24855
   32    30 S   HC   HA32    28     1.09556   108.01654    51.20188
   33    29 S   CT   _C5_    36     1.87147   103.22247  -172.84311
   34    30 S   CO3  _C3_    29     1.52966   114.06630   173.21661
   35    34 S   O2Z  _O31    30     1.26379   116.07037    -0.67464
   36    34 S   O2Z  _O32    31     1.26427   114.41233   179.39251
   37    33 S   CM   _C6_    37     1.51198   108.29619    69.02201
   38    37 S   HC   _H13    38     1.09085   115.87816   -65.73431
   39    33 S   CT   _C4_    87     1.54770   108.79841   -48.03694
   40    39 S   HC   _H10    88     1.09514   112.30669   -53.46736
   41    39 S   HC   _H11    89     1.09737   110.96182  -173.43894
   42    39 S   HC   _H12    90     1.09599   112.62482    68.41975
   43    37 S   CMA  _C7_    39     1.34863   127.53329   117.90944
   44    43 S   OM   _O41    40     1.26454   128.24703   175.41909
   45    43 S   CT   _C8_    41     1.54028   119.60640    -3.02045
   46    45 S   HC   _H3_    42     1.10000   106.65281   102.94443
   47    45 S   CT   _C9_    43     1.57709   116.24765   -18.14393
   48    45 S   OH   _O40    85     1.43783   110.33060  -142.25223
   49    48 S   HO   _H28    86     0.97419   106.18539   -30.05906
   50    33 S   CT   _C10    44     1.57596   112.17993  -167.80683
   51    50 S   HC   _H4_    45     1.10222   104.44019   160.83022
   52    47 S   CT   _C23    81     1.54911   108.50790   -75.39545
   53    52 S   HC   _H25    82     1.09068   112.91822   170.92550
   54    52 S   HC   _H26    83     1.09366   111.60066    50.43120
   55    52 S   HC   _H27    84     1.08950   113.42078   -66.52655
   56    50 S   CT   _C11    46     1.54512   113.95160    45.78459
   57    56 S   HC   _H14    47     1.09394   111.80947   -72.31551
   58    56 S   HC   _H15    48     1.09607   109.38205    45.77023
   59    56 S   CT   _C12    49     1.52405   111.78692   165.19007
   60    59 S   HC   _H5_    50     1.09713   107.31519   179.59749
   61    59 S   CT   _C13    51     1.52739   113.65840    56.33806
   62    59 S   OS   _O34    72     1.46278   106.38675   -67.77761
   63    61 S   CT   _C21    52     1.53655   115.77430    81.07529
   64    63 S   HC   _H18    53     1.08855   115.38281   -91.92960
   65    63 S   HC   _H19    54     1.09593   112.47897    31.43370
   66    47 S   CT   _C14    61     1.61468   108.96464   160.16534
   67    66 S   HC   _H6_    62     1.09825   102.37357   -52.64734
   68    63 S   OS   _O37    55     1.45394   105.99776   148.24550
   69    68 S   CT   _C17    56     1.46042   108.23181    -7.51972
   70    69 S   CT   _C16    57     1.54702   107.12088    95.63033
   71    70 S   HC   _H8_    58     1.09829   108.09339    64.94933
   72    61 S   CT   _C18    67     1.53860   106.70319  -170.76150
   73    69 S   CT   _C22    77     1.52965   107.70022  -145.39014
   74    73 S   HC   _H20    78     1.09522   111.63107    54.07421
   75    73 S   HC   _H21    79     1.09636   110.47799   -62.98691
   76    73 S   HC   _H22    80     1.09352   112.07547   176.36272
   77    70 S   CT   _C15    59     1.54289   112.81043   -54.69033
   78    77 S   HC   _H7_    60     1.09523   108.59778  -158.87474
   79    70 S   OH   _O38    65     1.42394   110.45624  -178.75888
   80    79 S   HO   _H23    66     0.97273   107.70463  -174.44691
   81    72 S   CT   _C19    68     1.51895   111.97573    61.34136
   82    81 S   HC   _H9_    69     1.09107   113.47398    65.89286
   83    72 S   OH   _O36    75     1.44978   109.36410   -55.55004
   84    83 S   HO   _H17    76     0.97422   107.20829   171.71177
   85    77 S   OH   _O39    63     1.42268   107.16372    85.60390
   86    85 S   HO   _H24    64     0.97215   107.84681    68.90047
   87    81 S   CO4  _C20    70     1.51939   110.87204   -53.69528
   88    87 S   O    _O33    71     1.22900   121.83310  -150.12132
   89    81 S   OH   _O35    73     1.42218   109.76981  -174.25837
   90    89 S   HO   _H16    74     0.97347   107.33479  -178.77699
  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  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  15   6   8   3   2   1  10   5   4  16   6  20   8  12   5
   4  13   5  12  18  14   7  14   7   2   1   1   5   3   2   1
   7   5   3   1   1   1   3   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    59    66    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    66    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    77    66    67    52    53    54    55    48    49  
   47    50    66    52    48    49  
   50    51    56    57    58    59    61    63    70    77    78    66    67    85    72    52    53    54    55    48    49  
   49    50    52    66  
    0  
   51    56    57    58    59    60    61    77    66    67    62    52    53    54    55  
   56    57    58    59    66    52  
   53    54    55    56    61    66    67    77  
   54    55    66  
   55    66  
   66  
   57    58    59    60    61    63    66    72    87    62  
   58    59    60    61    62  
   59    60    61    62  
   60    61    63    64    65    68    69    77    66    67    72    81    87    88    62    83  
   61    63    66    72    87    62  
   63    64    65    68    69    70    77    78    66    67    85    72    81    82    87    62    89    83    84    73  
   89    63    66    72    81    82    87    88  
   64    65    68    69    70    77    66    67    72    81    83    73  
   65    68    69    66    72  
   68    69    66    72  
   67    85    86    79    72    81    83    68    69    70    71    77    78  
   85    72    70    77    78  
   69    70    71    77    79    72    81    83    73    74    75    76  
   70    71    77    78    85    79    80    72    81    82    87    89    83    84    73    74    75    76  
   71    77    78    85    86    79    80    72    81    83    73    74    75    76  
   77    78    85    79    80    72    73  
   81    82    87    88    89    90    83    84    73    74    75    76    77    79  
   74    75    76    77    79    81    83  
   75    76  
   76  
    0  
   78    85    86    79    80  
   85    86    79  
   80    85  
    0  
   82    87    88    89    90    83    84  
   87    88    89    90    83  
   84    87    89  
    0  
   86  
    0  
   88    89    90  
   89  
   90  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   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   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    66   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   320.000  1.410
   61    63   268.000  1.529
   61    66   268.000  1.529
   61    72   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    69   320.000  1.410
   69    70   268.000  1.529
   69    72   268.000  1.529
   69    73   268.000  1.529
   70    71   340.000  1.090
   70    77   268.000  1.529
   70    79   320.000  1.410
   77    78   340.000  1.090
   77    66   268.000  1.529
   77    85   320.000  1.410
   66    67   340.000  1.090
   85    86   553.000  0.945
   79    80   553.000  0.945
   72    81   268.000  1.529
   72    83   320.000  1.410
   81    82   340.000  1.090
   81    87   317.000  1.522
   81    89   320.000  1.410
   87    88   570.000  1.229
   87    62   214.000  1.327
   89    90   553.000  0.945
   83    84   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    66    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    66    61    58.35000  112.70000
   47    66    77    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    66    58.35000  112.70000
   59    61    72    58.35000  112.70000
   59    62    87    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    50.00000  109.50000
   61    66    77    58.35000  112.70000
   61    66    67    37.50000  110.70000
   61    72    69    58.35000  112.70000
   61    72    81    58.35000  112.70000
   61    72    83    50.00000  109.50000
   63    68    69    60.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    69    70    50.00000  109.50000
   68    69    72    50.00000  109.50000
   68    69    73    50.00000  109.50000
   69    70    71    37.50000  110.70000
   69    70    77    58.35000  112.70000
   69    70    79    50.00000  109.50000
   69    72    81    58.35000  112.70000
   69    72    83    50.00000  109.50000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    66    58.35000  112.70000
   70    77    85    50.00000  109.50000
   70    79    80    55.00000  108.50000
   77    70    71    37.50000  110.70000
   77    66    67    37.50000  110.70000
   77    85    86    55.00000  108.50000
   66    47    50    58.35000  112.70000
   66    61    63    58.35000  112.70000
   66    77    78    37.50000  110.70000
   85    77    78    35.00000  109.50000
   85    77    66    50.00000  109.50000
   79    70    71    35.00000  109.50000
   79    70    77    50.00000  109.50000
   72    61    63    58.35000  112.70000
   72    61    66    58.35000  112.70000
   72    69    70    58.35000  112.70000
   72    81    82    37.50000  110.70000
   72    81    87    63.00000  111.10000
   72    81    89    50.00000  109.50000
   72    83    84    55.00000  108.50000
   81    87    88    80.00000  120.40000
   81    87    62    81.00000  111.40000
   81    89    90    55.00000  108.50000
   87    81    82    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    50.00000  109.50000
   62    87    88    83.00000  123.40000
   89    81    82    35.00000  109.50000
   89    81    87    90.00000  109.61100
   83    72    81    50.00000  109.50000
   73    69    70    58.35000  112.70000
   73    69    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   52    47    50    58.35000  112.70000
   52    47    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50    56    59   0.56750  1.0 1.0
   33    50    56    59  -0.07550 -1.0 2.0
   33    50    56    59   0.20000  1.0 3.0
   37    33    50    47   0.34400  1.0 1.0
   37    33    50    47   0.09450 -1.0 2.0
   37    33    50    47   0.11100  1.0 3.0
   37    33    50    51   0.15000  1.0 3.0
   37    33    50    56   0.34400  1.0 1.0
   37    33    50    56   0.09450 -1.0 2.0
   37    33    50    56   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    45    46   0.00000  1.0 1.0
   37    43   -45    47   0.09850  1.0 1.0
   37    43   -45    47   0.15250 -1.0 2.0
   37    43   -45    47  -0.50650  1.0 3.0
   37    43    45    48   0.67800  1.0 1.0
   37    43    45    48   0.47050 -1.0 2.0
   37    43    45    48  -0.62500  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45    47    50   0.34400  1.0 1.0
   43    45    47    50   0.09450 -1.0 2.0
   43    45    47    50   0.11100  1.0 3.0
   43    45    47    66   0.34400  1.0 1.0
   43    45    47    66   0.09450 -1.0 2.0
   43    45    47    66   0.11100  1.0 3.0
   43    45    47    52   0.34400  1.0 1.0
   43    45    47    52   0.09450 -1.0 2.0
   43    45    47    52   0.11100  1.0 3.0
   43    45    48    49  -0.07800  1.0 1.0
   43    45    48    49  -0.21500 -1.0 2.0
   43    45    48    49  -0.03150  1.0 3.0
   44    43    45    46   0.00000  1.0 1.0
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   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  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
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   81    62    87    88  10.50000 -1.0 2.0
END
