* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    168    260     497
    1     0 S   NP   _N1_     1    29.22021    96.43007   -17.51684
    2     1 S   H    _HN1     2     1.02800    66.31546  -116.57695
    3     1 S   H    _H1_     3     1.02945    77.98481    -0.42613
    4     1 S   H    _H2_     4     1.02860    62.62483   116.43654
    5     1 S   CT   _CA1     5     1.50065   170.84346   161.84771
    6     5 S   HC   _HA1     6     1.09586   105.33845    17.58679
    7     5 S   CO3  _C1_     7     1.53950   111.74523  -102.46052
    8     7 S   O2Z  _O11     8     1.26371   115.22895   -63.50289
    9     7 S   O2Z  _O12     9     1.26221   114.83001   115.51387
   10     5 S   CT   _CB1    10     1.53075   107.38943   135.17604
   11    10 S   HC   HB11    11     1.09825   109.79947   -50.49909
   12    10 S   HC   HB12    12     1.09813   110.28458    66.01283
   13    10 S   CT   _CG1    13     1.53024   112.39196  -171.42673
   14    13 S   HC   HG11    14     1.09540   110.57631   -52.92991
   15    13 S   HC   HG12    15     1.09612   110.11129    66.20709
   16    13 S   C    _CD1    16     1.51689   111.89597  -173.22981
   17    16 S   O    _OE1    17     1.22751   123.12604    -8.91075
   18    16 S   N    _N2_    18     1.38604   111.82334   171.15989
   19    18 S   H    _HN2    19     1.01574   119.34619     3.92386
   20    18 S   CT1  _CA2    20     1.46117   123.03380  -175.19156
   21    20 S   HC   _HA2    21     1.09729   109.20743     0.13562
   22    20 S   C    _C2_    22     1.53451   109.62054  -115.92125
   23    22 S   O    _O2_    23     1.23072   121.95272  -150.28829
   24    20 S   CT   _CB2    32     1.53360   111.28826   121.33984
   25    24 S   HC   HB21    33     1.09471   109.86539    64.08122
   26    24 S   HC   HB22    34     1.09543   110.12796  -178.28594
   27    22 S   N    _N3_    24     1.38419   113.77377    37.22932
   28    27 S   H    _HN3    25     1.01485   118.94310    -0.70721
   29    24 S   S    _SG2    35     1.83169   111.91092   -59.16854
   30    27 S   CT   _CA3    26     1.45447   123.51565   175.37259
   31    30 S   HC   HA31    27     1.09517   109.37848    22.24055
   32    30 S   HC   HA32    28     1.09502   107.09885   139.22510
   33    29 S   CT   _C11    36     1.85102    99.96328   122.47074
   34    33 S   HC   _H3_    37     1.09614   106.89204   -43.29665
   35    30 S   CO3  _C3_    29     1.52892   112.97088  -101.34919
   36    35 S   O2Z  _O31    30     1.26414   115.32026   -47.46563
   37    35 S   O2Z  _O32    31     1.26345   115.05125   133.47046
   38    33 S   CM   _C10    38     1.51198   106.70432    75.54875
   39    38 S   HC   _H19    39     1.08985   115.51598    56.75110
   40    33 S   CT   _C12    58     1.55599   111.05029  -160.82930
   41    40 S   HC   _H4_    59     1.09961   109.39597   -50.96502
   42    38 S   CMA  _C9_    40     1.35276   125.66823  -123.26382
   43    42 S   OM   _O37    41     1.26224   131.19216    -1.48028
   44    40 S   CT   _C16    60     1.54913   113.55232  -174.72192
   45    44 S   HC   _H7_    61     1.09673   109.87597   -39.96913
   46    40 S   CT   _C13    72     1.54339   112.55178    71.27870
   47    46 S   HC   _H5_    73     1.09676   110.61944    40.07959
   48    42 S   CT   _C8_    42     1.53145   116.88507  -179.83807
   49    48 S   HC   _H17    43     1.09941   110.26407    16.56391
   50    48 S   HC   _H18    44     1.10048   109.89189   131.12342
   51    44 S   CT   _C17    62     1.51369   116.46099    88.91151
   52    51 S   HC   _H22    63     1.09055   113.55033   -35.51226
   53    51 S   HC   _H23    64     1.09587   110.18843  -158.01651
   54    46 S   OH   _O36    74     1.41692   112.40378   -81.21083
   55    54 S   HO   _H31    75     0.97559   107.12974  -173.95882
   56    48 S   CT   _C7_    45     1.54002   115.05658  -105.83710
   57    56 S   HC   _H15    46     1.09733   108.03830  -177.70595
   58    56 S   HC   _H16    47     1.09698   110.09589   -61.84746
   59    51 S   CM   _C18    65     1.49331   102.01414    85.92415
   60    56 S   CT   _C6_    48     1.53129   113.27477    61.31452
   61    60 S   HC   _H13    49     1.09670   109.63269    54.90341
   62    60 S   HC   _H14    50     1.09535   109.96951   -62.83518
   63    59 S   OS   _O35    66     1.38719   112.72395    17.26562
   64    59 S   CM   _C19    76     1.34049   126.69151  -159.60465
   65    64 S   HC   _H24    77     1.08825   118.14759   177.86806
   66    60 S   CT   _C5_    51     1.52867   111.35941   176.34098
   67    66 S   HC   _H11    52     1.09614   109.89753   -59.85161
   68    66 S   HC   _H12    53     1.09622   109.87011    57.94629
   69    44 S   CT   _C15    67     1.52542   104.51836  -159.11408
   70    69 S   HC   _H6_    68     1.09607   112.58846   149.48076
   71    64 S   CT   _C20    78     1.50161   125.95395    -2.86778
   72    71 S   HC   _H25    79     1.09571   111.34207   -12.46921
   73    71 S   HC   _H26    80     1.09686   108.22034  -128.89712
   74    66 S   CT   _C4_    54     1.52055   111.38650   178.98471
   75    74 S   HC   _H8_    55     1.09484   110.99091   -60.26650
   76    74 S   HC   _H9_    56     1.09446   110.26697   179.98022
   77    74 S   HC   _H10    57     1.09467   110.99698    60.22779
   78    69 S   CT   _C14    69     1.52172   106.98717    25.75281
   79    78 S   HC   _H20    70     1.09598   110.52688   115.83377
   80    78 S   HC   _H21    71     1.09614   112.18907  -124.69007
   81    71 S   CT   _C21    81     1.52966   111.25261   110.38357
   82    81 S   HC   _H27    82     1.09775   109.72357   -58.90808
   83    81 S   HC   _H28    83     1.09759   109.77657    58.10043
   84    81 S   CT   _C22    84     1.52585   111.29447   179.68348
   85    84 S   HC   _H29    85     1.09721   109.40232    58.93736
   86    84 S   HC   _H30    86     1.09714   109.44517   -58.34923
   87    84 S   CO3  _C23    87     1.53193   115.32825  -179.67494
   88    87 S   O2Z  _O34    88     1.26532   114.01657  -178.75983
   89    87 S   O2Z  _O33    89     1.26123   116.69499     1.34290
  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   9   5   4   3
  16   7   2   1   1  11   4  18   8   8   4  15   9  10   6   9
   5   4  10   5   4   5   1   9   5   4  10   9   5   4   8   9
   4   6   5   4   4   3   9   5   4   3   2   1   1   2   1   1
   8   5   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    48    40    41    44    45    51    69    78    46    47    54  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    48    49    50    56    40    41    44    46  
   42    43    48    40  
   41    44    45    51    52    53    59    63    69    70    78    79    80    46    47    54    55    42  
   44    45    51    69    78    46    47    54  
   43    48    49    50    56    57    58    60  
   48    49    50    56  
   45    51    52    53    59    63    69    70    78    79    80    46    47    54    64  
   51    52    53    59    63    69    70    78    46  
   47    54    55    51    63    69    70    78    79    80  
   54    55    69    78    79    80  
   49    50    56    57    58    60    61    62    66  
   50    56    57    58    60  
   56    57    58    60  
   52    53    59    63    69    70    78    64    65    71  
   53    59    63    69    64  
   59    63    69    64  
   55    69    78    79    80  
   78  
   57    58    60    61    62    66    67    68    74  
   58    60    61    62    66  
   60    61    62    66  
   63    69    70    78    64    65    71    72    73    81  
   61    62    66    67    68    74    75    76    77  
   62    66    67    68    74  
   66    67    68    74  
   69    70    78    79    80    64    65    71  
   65    71    72    73    81    82    83    84    69  
   71    72    73    81  
   67    68    74    75    76    77  
   68    74    75    76    77  
   74    75    76    77  
   70    78    79    80  
   78    79    80  
   72    73    81    82    83    84    85    86    87  
   73    81    82    83    84  
   81    82    83    84  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    46   268.000  1.529
   44    45   340.000  1.090
   44    51   268.000  1.529
   44    69   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   317.000  1.510
   59    63   440.000  1.360
   59    64   549.000  1.340
   63    69   320.000  1.410
   69    70   340.000  1.090
   69    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    46   268.000  1.529
   46    47   340.000  1.090
   46    54   320.000  1.410
   54    55   553.000  0.945
   64    65   340.000  1.080
   64    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   317.000  1.522
   87    88   656.000  1.250
   87    89   656.000  1.250
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  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    41    37.50000  110.70000
   33    40    44    58.35000  112.70000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    65.00000  137.10300
   38    42    48    65.00000  122.18000
   42    38    39    40.00000  120.50800
   42    48    49    45.00000  110.52000
   42    48    50    45.00000  110.52000
   42    48    56    70.00000  112.02700
   48    42    43    85.00000  112.85300
   48    56    57    37.50000  110.70000
   48    56    58    37.50000  110.70000
   48    56    60    58.35000  112.70000
   50    48    49    33.00000  107.80000
   56    48    49    37.50000  110.70000
   56    48    50    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    66    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    74    58.35000  112.70000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    74    75    37.50000  110.70000
   66    74    76    37.50000  110.70000
   66    74    77    37.50000  110.70000
   68    66    67    33.00000  107.80000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    44    45    37.50000  110.70000
   40    44    51    58.35000  112.70000
   40    44    69    58.35000  112.70000
   40    46    78    58.35000  112.70000
   40    46    47    37.50000  110.70000
   40    46    54    50.00000  109.50000
   44    40    41    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    59    70.00000  112.02700
   44    69    63    50.00000  109.50000
   44    69    70    37.50000  110.70000
   44    69    78    58.35000  112.70000
   51    44    45    37.50000  110.70000
   51    59    63    85.00000  112.85300
   51    59    64    70.00000  124.00000
   53    51    52    33.00000  107.80000
   59    51    52    35.00000  109.50000
   59    51    53    35.00000  109.50000
   59    63    69    90.00000  111.18400
   59    64    65    35.00000  120.00000
   59    64    71    70.00000  124.00000
   63    69    70    35.00000  109.50000
   63    69    78    50.00000  109.50000
   69    44    45    37.50000  110.70000
   69    44    51    58.35000  112.70000
   69    78    79    37.50000  110.70000
   69    78    80    37.50000  110.70000
   69    78    46    58.35000  112.70000
   78    69    70    37.50000  110.70000
   78    46    47    37.50000  110.70000
   78    46    54    50.00000  109.50000
   80    78    79    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    44    58.35000  112.70000
   46    78    79    37.50000  110.70000
   46    78    80    37.50000  110.70000
   46    54    55    55.00000  108.50000
   54    46    47    35.00000  109.50000
   64    59    63    80.00000  120.01400
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    81    70.00000  112.02700
   71    64    65    35.00000  117.00000
   71    81    82    37.50000  110.70000
   71    81    83    37.50000  110.70000
   71    81    84    58.35000  112.70000
   73    71    72    33.00000  107.80000
   81    71    72    37.50000  110.70000
   81    71    73    37.50000  110.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    70.00000  109.69300
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    70.00000  117.00000
   84    87    89    70.00000  117.00000
   86    84    85    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    35.00000  109.50000
   89    87    88    80.00000  126.00000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.44750  1.0 1.0
   29    33    40    44  -0.17800 -1.0 2.0
   29    33    40    44   0.20200  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    48   7.00000 -1.0 2.0
   33    40    44    45   0.15000  1.0 3.0
   33    40    44    51   0.56750  1.0 1.0
   33    40    44    51  -0.07550 -1.0 2.0
   33    40    44    51   0.20000  1.0 3.0
   33    40    44    69   0.56750  1.0 1.0
   33    40    44    69  -0.07550 -1.0 2.0
   33    40    44    69   0.20000  1.0 3.0
   33    40    46    78   0.56750  1.0 1.0
   33    40    46    78  -0.07550 -1.0 2.0
   33    40    46    78   0.20000  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    54   0.86500  1.0 1.0
   33    40    46    54  -0.17500 -1.0 2.0
   33    40    46    54   0.20800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.15000  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.34400  1.0 1.0
   38    33    40    44   0.09450 -1.0 2.0
   38    33    40    44   0.11100  1.0 3.0
   38    33    40    46   0.34400  1.0 1.0
   38    33    40    46   0.09450 -1.0 2.0
   38    33    40    46   0.11100  1.0 3.0
   38    42    48    49   0.00000  1.0 1.0
   38    42    48    50   0.00000  1.0 1.0
   38    42    48    56   0.09850  1.0 1.0
   38    42    48    56   0.15250 -1.0 2.0
   38    42    48    56  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    48    56    57   0.15000  1.0 3.0
   42    48    56    58   0.15000  1.0 3.0
   42    48    56    60   0.34400  1.0 1.0
   42    48    56    60   0.09450 -1.0 2.0
   42    48    56    60   0.11100  1.0 3.0
   43    42    48    49   0.00000  1.0 1.0
   43    42    48    50   0.00000  1.0 1.0
   43    42    48    56   0.09700  1.0 1.0
   43    42    48    56   0.15600 -1.0 2.0
   43    42    48    56  -0.50800  1.0 3.0
   48    56    60    61   0.15000  1.0 3.0
   48    56    60    62   0.15000  1.0 3.0
   48    56    60    66   0.56750  1.0 1.0
   48    56    60    66  -0.07550 -1.0 2.0
   48    56    60    66   0.20000  1.0 3.0
   49    48    56    57   0.15000  1.0 3.0
   49    48    56    58   0.15000  1.0 3.0
   49    48    56    60   0.15000  1.0 3.0
   50    48    56    57   0.15000  1.0 3.0
   50    48    56    58   0.15000  1.0 3.0
   50    48    56    60   0.15000  1.0 3.0
   56    60    66    67   0.15000  1.0 3.0
   56    60    66    68   0.15000  1.0 3.0
   56    60    66    74   0.56750  1.0 1.0
   56    60    66    74  -0.07550 -1.0 2.0
   56    60    66    74   0.20000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    62   0.15000  1.0 3.0
   57    56    60    66   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    62   0.15000  1.0 3.0
   58    56    60    66   0.15000  1.0 3.0
   60    66    74    75   0.15000  1.0 3.0
   60    66    74    76   0.15000  1.0 3.0
   60    66    74    77   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    74   0.15000  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    74   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    76   0.15000  1.0 3.0
   67    66    74    77   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    76   0.15000  1.0 3.0
   68    66    74    77   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42   0.09850  1.0 1.0
   40    33    38    42   0.15250 -1.0 2.0
   40    33    38    42  -0.50650  1.0 3.0
   40    44    51    52   0.15000  1.0 3.0
   40    44    51    53   0.15000  1.0 3.0
   40    44    51    59   0.34400  1.0 1.0
   40    44    51    59   0.09450 -1.0 2.0
   40    44    51    59   0.11100  1.0 3.0
   40    44    69    63   0.62750  1.0 1.0
   40    44    69    63  -0.30950 -1.0 2.0
   40    44    69    63   0.27300  1.0 3.0
   40    44    69    70   0.15000  1.0 3.0
   40    44   -69    78   0.56750  1.0 1.0
   40    44   -69    78  -0.07550 -1.0 2.0
   40    44   -69    78   0.20000  1.0 3.0
   40    46    54    55  -0.11600  1.0 1.0
   40    46    54    55  -0.09450 -1.0 2.0
   40    46    54    55   0.21250  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    51   0.15000  1.0 3.0
   41    40    44    69   0.15000  1.0 3.0
   41    40    46    78   0.15000  1.0 3.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    54   0.23400  1.0 3.0
   44    40   -46    78   0.56750  1.0 1.0
   44    40   -46    78  -0.07550 -1.0 2.0
   44    40   -46    78   0.20000  1.0 3.0
   44    40    46    47   0.15000  1.0 3.0
   44    40    46    54   0.86500  1.0 1.0
   44    40    46    54  -0.17500 -1.0 2.0
   44    40    46    54   0.20800  1.0 3.0
   44    51   -59    63   0.09700  1.0 1.0
   44    51   -59    63   0.15600 -1.0 2.0
   44    51   -59    63  -0.50800  1.0 3.0
   44    51    59    64   0.09850  1.0 1.0
   44    51    59    64   0.15250 -1.0 2.0
   44    51    59    64  -0.50650  1.0 3.0
   44    69    78    79   0.15000  1.0 3.0
   44    69    78    80   0.15000  1.0 3.0
   44    69   -78    46   0.56750  1.0 1.0
   44    69   -78    46  -0.07550 -1.0 2.0
   44    69   -78    46   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    59   0.15000  1.0 3.0
   45    44    69    63   0.23400  1.0 3.0
   45    44    69    70   0.15000  1.0 3.0
   45    44    69    78   0.15000  1.0 3.0
   51    44   -69    63   0.62750  1.0 1.0
   51    44   -69    63  -0.30950 -1.0 2.0
   51    44   -69    63   0.27300  1.0 3.0
   51    44    69    70   0.15000  1.0 3.0
   51    44    69    78   0.56750  1.0 1.0
   51    44    69    78  -0.07550 -1.0 2.0
   51    44    69    78   0.20000  1.0 3.0
   51    59   -63    69   2.00000 -1.0 2.0
   51    59    64    65   7.00000 -1.0 2.0
   51    59    64    71   7.00000 -1.0 2.0
   52    51    59    63   0.00000  1.0 1.0
   52    51    59    64   0.00000  1.0 1.0
   53    51    59    63   0.00000  1.0 1.0
   53    51    59    64   0.00000  1.0 1.0
   59    63   -69    44  -0.46850  1.0 1.0
   59    63   -69    44   0.09300 -1.0 2.0
   59    63   -69    44  -0.12850  1.0 3.0
   59    63    69    70   0.08050  1.0 3.0
   59    63    69    78  -0.46850  1.0 1.0
   59    63    69    78   0.09300 -1.0 2.0
   59    63    69    78  -0.12850  1.0 3.0
   59    64    71    72   0.00000  1.0 1.0
   59    64    71    73   0.00000  1.0 1.0
   59    64    71    81   0.09850  1.0 1.0
   59    64    71    81   0.15250 -1.0 2.0
   59    64    71    81  -0.50650  1.0 3.0
   63    59    64    65   7.00000 -1.0 2.0
   63    59    64    71   7.00000 -1.0 2.0
   63    69    78    79   0.23400  1.0 3.0
   63    69    78    80   0.23400  1.0 3.0
   63    69    78    46   0.62750  1.0 1.0
   63    69    78    46  -0.30950 -1.0 2.0
   63    69    78    46   0.27300  1.0 3.0
   69    44    51    52   0.15000  1.0 3.0
   69    44    51    53   0.15000  1.0 3.0
   69    44   -51    59   0.34400  1.0 1.0
   69    44   -51    59   0.09450 -1.0 2.0
   69    44   -51    59   0.11100  1.0 3.0
   69    78   -46    40   0.56750  1.0 1.0
   69    78   -46    40  -0.07550 -1.0 2.0
   69    78   -46    40   0.20000  1.0 3.0
   69    78    46    47   0.15000  1.0 3.0
   69    78    46    54   0.86500  1.0 1.0
   69    78    46    54  -0.17500 -1.0 2.0
   69    78    46    54   0.20800  1.0 3.0
   70    69    78    79   0.15000  1.0 3.0
   70    69    78    80   0.15000  1.0 3.0
   70    69    78    46   0.15000  1.0 3.0
   78    46    54    55  -0.11600  1.0 1.0
   78    46    54    55  -0.09450 -1.0 2.0
   78    46    54    55   0.21250  1.0 3.0
   79    78    46    40   0.15000  1.0 3.0
   79    78    46    47   0.15000  1.0 3.0
   79    78    46    54   0.23400  1.0 3.0
   80    78    46    40   0.15000  1.0 3.0
   80    78    46    47   0.15000  1.0 3.0
   80    78    46    54   0.23400  1.0 3.0
   46    40    44    45   0.15000  1.0 3.0
   46    40    44    51   0.56750  1.0 1.0
   46    40    44    51  -0.07550 -1.0 2.0
   46    40    44    51   0.20000  1.0 3.0
   46    40   -44    69   0.56750  1.0 1.0
   46    40   -44    69  -0.07550 -1.0 2.0
   46    40   -44    69   0.20000  1.0 3.0
   47    46    54    55   0.19450  1.0 3.0
   64    59    63    69  -2.26850  1.0 1.0
   64    59    63    69   3.39050 -1.0 2.0
   64    71    81    82   0.15000  1.0 3.0
   64    71    81    83   0.15000  1.0 3.0
   64    71    81    84   0.34400  1.0 1.0
   64    71    81    84   0.09450 -1.0 2.0
   64    71    81    84   0.11100  1.0 3.0
   65    64    71    72   0.33100  1.0 3.0
   65    64    71    73   0.33100  1.0 3.0
   65    64    71    81   0.00000  1.0 1.0
   71    81    84    85   0.15000  1.0 3.0
   71    81    84    86   0.15000  1.0 3.0
   71    81    84    87  -1.63150  1.0 1.0
   71    81    84    87  -0.43550 -1.0 2.0
   71    81    84    87   0.24500  1.0 3.0
   72    71    81    82   0.15000  1.0 3.0
   72    71    81    83   0.15000  1.0 3.0
   72    71    81    84   0.15000  1.0 3.0
   73    71    81    82   0.15000  1.0 3.0
   73    71    81    83   0.15000  1.0 3.0
   73    71    81    84   0.15000  1.0 3.0
   81    84    87    88   0.41150 -1.0 2.0
   81    84    87    89   0.41150 -1.0 2.0
   82    81    84    85   0.15000  1.0 3.0
   82    81    84    86   0.15000  1.0 3.0
   82    81    84    87  -0.11250  1.0 3.0
   83    81    84    85   0.15000  1.0 3.0
   83    81    84    86   0.15000  1.0 3.0
   83    81    84    87  -0.11250  1.0 3.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    89   0.00000  1.0 1.0
   86    84    87    88   0.00000  1.0 1.0
   86    84    87    89   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   48    43    42    38  15.00000 -1.0 2.0
   51    63    59    64   1.10000 -1.0 2.0
   71    65    64    59   1.10000 -1.0 2.0
   88    84    87    89  10.50000 -1.0 2.0
END
