* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    164    247     482
    1     0 S   NP   _N1_     1    29.14831    92.65137   -18.90993
    2     1 S   H    _HN1     2     1.02773    81.25939   -62.31193
    3     1 S   H    _H1_     3     1.02982   112.36932    43.97237
    4     1 S   H    _H2_     4     1.02826    27.11391   127.74321
    5     1 S   CT   _CA1     5     1.50173   127.62541  -173.75763
    6     5 S   HC   _HA1     6     1.09573   105.24749    34.79714
    7     5 S   CO3  _C1_     7     1.53817   112.38073   -85.26551
    8     7 S   O2Z  _O11     8     1.26356   115.09486   -40.69746
    9     7 S   O2Z  _O12     9     1.26255   114.92764   138.50017
   10     5 S   CT   _CB1    10     1.53052   107.27026   152.60592
   11    10 S   HC   HB11    11     1.09816   109.26175   -51.03615
   12    10 S   HC   HB12    12     1.09773   110.27078    65.30919
   13    10 S   CT   _CG1    13     1.53028   113.05624  -172.42109
   14    13 S   HC   HG11    14     1.09476   110.13478   -60.22654
   15    13 S   HC   HG12    15     1.09592   110.40679    58.95057
   16    13 S   C    _CD1    16     1.51823   111.66288   178.83820
   17    16 S   O    _OE1    17     1.22784   122.84935   -23.23308
   18    16 S   N    _N2_    18     1.38583   112.15256   157.71756
   19    18 S   H    _HN2    19     1.01578   119.18653     1.66071
   20    18 S   CT1  _CA2    20     1.46370   123.26130  -176.45000
   21    20 S   HC   _HA2    21     1.09733   109.27250   -17.60800
   22    20 S   C    _C2_    22     1.53375   108.42487  -133.43513
   23    22 S   O    _O2_    23     1.23005   122.28007  -146.50364
   24    20 S   CT   _CB2    32     1.53623   111.28477   104.36850
   25    24 S   HC   HB21    33     1.09531   109.26972    56.54013
   26    24 S   HC   HB22    34     1.09475   110.62329   175.03004
   27    22 S   N    _N3_    24     1.38523   113.31070    40.90292
   28    27 S   H    _HN3    25     1.01538   118.87740    -0.56267
   29    24 S   S    _SG2    35     1.82963   111.35956   -65.44119
   30    27 S   CT   _CA3    26     1.45450   123.47103   175.19474
   31    30 S   HC   HA31    27     1.09522   109.25093    23.80408
   32    30 S   HC   HA32    28     1.09496   107.10580   140.80834
   33    29 S   CT   _C12    36     1.85424   100.54659   148.15275
   34    33 S   HC   _H6_    37     1.08979   104.38004   -28.48881
   35    30 S   CO3  _C3_    29     1.52928   113.15950   -99.69080
   36    35 S   O2Z  _O31    30     1.26400   115.43439   -43.59975
   37    35 S   O2Z  _O32    31     1.26361   114.96753   137.36825
   38    33 S   CT   _C13    38     1.54305   107.09069  -143.77548
   39    38 S   HC   _H14    39     1.09944   110.28194   -38.16655
   40    38 S   HC   _H15    40     1.08857   112.14034  -150.64173
   41    33 S   CT   _C11    62     1.56489   113.33490    89.46069
   42    38 S   CT   _C14    41     1.54701   114.07682    84.54986
   43    42 S   HC   _H7_    42     1.09891   106.81167   -66.98729
   44    41 S   CT   _C17    63     1.53759   112.80631    59.36836
   45    44 S   HC   _H19    64     1.09459   111.83866   -63.17584
   46    44 S   HC   _H20    65     1.09662   110.63751   179.57296
   47    44 S   HC   _H21    66     1.09425   111.87949    59.19163
   48    41 S   OH   _O35    67     1.43599   107.91748   -59.54106
   49    48 S   HO   _H22    68     0.97259   108.18566   178.18372
   50    42 S   CM   _C5_    43     1.52829   119.07935    54.23405
   51    42 S   OS   _O33    84     1.44891   109.13629   176.25822
   52    50 S   CM   _C6_    44     1.35075   128.93962    43.22127
   53    52 S   HC   _H11    45     1.09082   117.29197   179.26885
   54    50 S   CT   _C4_    80     1.51289   112.95978  -138.42220
   55    54 S   HC   _H8_    81     1.09420   110.13026   -57.24677
   56    54 S   HC   _H9_    82     1.09507   112.81052  -177.24508
   57    54 S   HC   _H10    83     1.09478   110.07235    62.77723
   58    51 S   CO4  _C15    85     1.36271   117.75228    82.43732
   59    58 S   O    _O34    86     1.22330   126.55581    -2.44096
   60    52 S   CT   _C7_    46     1.49829   129.58506     0.63304
   61    60 S   HC   _H3_    47     1.08806   111.21252     8.04964
   62    58 S   CT   _C16    87     1.49820   109.44219   177.85789
   63    62 S   HC   _H16    88     1.09297   109.83205   -59.64442
   64    62 S   HC   _H17    89     1.09379   109.35217  -178.56988
   65    62 S   HC   _H18    90     1.09282   109.82388    62.27969
   66    60 S   CT   _C8_    48     1.52980   113.96221  -121.12106
   67    66 S   HC   _H4_    49     1.10099   109.10828   -49.23146
   68    66 S   CM   _C22    50     1.49425    98.05584  -158.18424
   69    66 S   CT   _C9_    57     1.54141   115.34270    71.70707
   70    69 S   HC   _H5_    58     1.09241   107.51299   -63.15949
   71    68 S   CO4  _C24    51     1.48537   106.89138    31.53206
   72    71 S   O    _O38    52     1.21703   127.19326   165.48615
   73    68 S   CM   _C23    54     1.33489   131.49124  -146.78429
   74    73 S   HC   _H28    55     1.08371   121.57291    -0.99387
   75    73 S   HC   _H29    56     1.08551   121.46025   179.06455
   76    69 S   CT   _C10    59     1.54465   115.43818    59.92265
   77    76 S   HC   _H12    60     1.09288   111.52368    -7.15442
   78    76 S   HC   _H13    61     1.09933   108.07615   108.28126
   79    69 S   OS   _O36    69     1.45249   109.56702  -178.88724
   80    60 S   OS   _O39    53     1.44355   109.75891   123.19375
   81    79 S   CO4  _C18    70     1.35979   118.12388    82.65856
   82    81 S   O    _O37    71     1.22236   126.01768    -0.85957
   83    81 S   CM   _C19    72     1.48952   109.43273   179.21068
   84    83 S   CM   _C20    73     1.34144   117.40955   179.30339
   85    84 S   HC   _H23    74     1.08558   120.95997   179.90935
   86    84 S   HC   _H24    75     1.08538   122.49219    -0.08156
   87    83 S   CT   _C21    76     1.49777   120.14419    -0.86162
   88    87 S   HC   _H25    77     1.09503   110.60546   -59.29113
   89    87 S   HC   _H26    78     1.09485   110.57922    61.23840
   90    87 S   HC   _H27    79     1.09538   111.89063  -179.02101
  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
  19   8   2   1   1  13   6   5  14  13   5   9   4   3   2   5
   1  12   8  13   5   4   2   1   1   5   4  12   6   3   2   1
   1  15   8  10  11   5   5   2   3   1   1   4   2   1   5   1
   9   3   7   6   2   1   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    42    76    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    50    69    76    77    78    41    44    45    46    47    48    49    51  
   38    39    40    42    76    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    50    52    76    41    44    48    54    51    58  
   40    42    43    50    41    51  
   42    43    50    41    51  
   44    45    46    47    48    49    79    42    66    69    70    76    77    78  
   43    50    52    53    60    54    55    56    57    51    58    59    62  
   50    52    54    51    58  
   45    46    47    48    49    69    76    77    78  
   46    47    48    76  
   47    48    76  
   48    76  
   49    69    76    77    78  
   76  
   52    53    60    61    66    80    54    55    56    57    51    58  
   58    59    62    63    64    65    52    54  
   53    60    61    66    67    68    71    80    69    54    55    56    57  
   60    61    66    80    54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    62    63    64    65  
   62    63    64    65  
   61    66    67    68    71    72    80    73    69    70    76    79  
   66    67    68    71    80    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    71    72    80    73    74    75    69    70    76    77    78    79    81  
   68    71    80    73    69    70    76    79  
   71    72    80    73    74    75    69    70    76    79  
   70    76    77    78    79    81    82    83    71    73    80  
   76    77    78    79    81  
   72    80    73    74    75  
   80    73  
   74    75    80  
   75  
    0  
   77    78    79    81  
   78    79  
   79  
   81    82    83    84    87  
    0  
   82    83    84    85    86    87    88    89    90  
   83    84    87  
   84    85    86    87    88    89    90  
   85    86    87    88    89    90  
   86    87  
   87  
   88    89    90  
   89    90  
   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   0.107500   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   2.4200   0.0300   0.115000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    42   268.000  1.529
   42    43   340.000  1.090
   42    50   317.000  1.510
   42    51   320.000  1.410
   50    52   549.000  1.340
   50    54   317.000  1.510
   52    53   340.000  1.080
   52    60   317.000  1.510
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    80   320.000  1.410
   66    67   340.000  1.090
   66    68   317.000  1.510
   66    69   268.000  1.529
   68    71   320.000  1.462
   68    73   549.000  1.340
   71    72   570.000  1.229
   71    80   214.000  1.327
   73    74   340.000  1.080
   73    75   340.000  1.080
   69    70   340.000  1.090
   69    76   268.000  1.529
   69    79   320.000  1.410
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    41   268.000  1.529
   41    44   268.000  1.529
   41    48   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   553.000  0.945
   79    81   214.000  1.327
   81    82   570.000  1.229
   81    83   320.000  1.462
   83    84   549.000  1.340
   83    87   317.000  1.510
   84    85   340.000  1.080
   84    86   340.000  1.080
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    58   214.000  1.327
   58    59   570.000  1.229
   58    62   317.000  1.522
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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    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    42    58.35000  112.70000
   33    41    76    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    50    70.00000  112.02700
   38    42    51    50.00000  109.50000
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    50    52    70.00000  124.00000
   42    50    54    65.00000  117.92700
   42    51    58    83.00000  116.90000
   50    42    43    35.00000  109.50000
   50    52    53    35.00000  120.00000
   50    52    60    70.00000  124.00000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   52    60    61    35.00000  109.50000
   52    60    66    70.00000  112.02700
   52    60    80    85.00000  110.90400
   60    52    53    35.00000  117.00000
   60    66    67    37.50000  110.70000
   60    66    68    70.00000  112.02700
   60    66    69    58.35000  112.70000
   60    80    71    83.00000  116.90000
   66    60    61    37.50000  110.70000
   66    68    71    65.00000  116.34900
   66    68    73    70.00000  124.00000
   66    69    70    37.50000  110.70000
   66    69    76    58.35000  112.70000
   66    69    79    50.00000  109.50000
   68    66    67    35.00000  109.50000
   68    71    72    80.00000  123.72100
   68    71    80    90.00000  111.29400
   68    73    74    35.00000  120.00000
   68    73    75    35.00000  120.00000
   80    60    61    35.00000  109.50000
   80    60    66    50.00000  109.50000
   80    71    72    83.00000  123.40000
   73    68    71    65.00000  118.96000
   75    73    74    35.00000  117.00000
   69    66    67    37.50000  110.70000
   69    66    68    70.00000  112.02700
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    41    58.35000  112.70000
   69    79    81    83.00000  116.90000
   76    69    70    37.50000  110.70000
   76    41    44    58.35000  112.70000
   76    41    48    50.00000  109.50000
   78    76    77    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    76    77    37.50000  110.70000
   41    76    78    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    55.00000  108.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    50.00000  109.50000
   79    69    70    35.00000  109.50000
   79    69    76    50.00000  109.50000
   79    81    82    83.00000  123.40000
   79    81    83    90.00000  111.29400
   81    83    84    65.00000  118.96000
   81    83    87    65.00000  116.34900
   83    81    82    80.00000  123.72100
   83    84    85    35.00000  120.00000
   83    84    86    35.00000  120.00000
   83    87    88    35.00000  109.50000
   83    87    89    35.00000  109.50000
   83    87    90    35.00000  109.50000
   86    84    85    35.00000  117.00000
   87    83    84    70.00000  124.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   54    50    52    70.00000  124.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    50    85.00000  110.90400
   51    58    59    83.00000  123.40000
   51    58    62    81.00000  111.40000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    65    35.00000  109.50000
   62    58    59    80.00000  120.40000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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    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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    76   0.44750  1.0 1.0
   29    33    41    76  -0.17800 -1.0 2.0
   29    33    41    76   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.56750  1.0 1.0
   29    33    41    48  -0.07550 -1.0 2.0
   29    33    41    48   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    50   0.34400  1.0 1.0
   33    38    42    50   0.09450 -1.0 2.0
   33    38    42    50   0.11100  1.0 3.0
   33    38    42    51   0.62750  1.0 1.0
   33    38    42    51  -0.30950 -1.0 2.0
   33    38    42    51   0.27300  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49  -0.11600  1.0 1.0
   33    41    48    49  -0.09450 -1.0 2.0
   33    41    48    49   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    42   0.15000  1.0 3.0
   34    33    41    76   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.23400  1.0 3.0
   38    33    41    76   0.56750  1.0 1.0
   38    33    41    76  -0.07550 -1.0 2.0
   38    33    41    76   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.86500  1.0 1.0
   38    33    41    48  -0.17500 -1.0 2.0
   38    33    41    48   0.20800  1.0 3.0
   38    42    50    52   0.09850  1.0 1.0
   38    42    50    52   0.15250 -1.0 2.0
   38    42    50    52  -0.50650  1.0 3.0
   38    42    50    54   0.46850  1.0 1.0
   38    42    50    54   0.08550 -1.0 2.0
   38    42    50    54   0.09800  1.0 3.0
   38    42    51    58  -0.25900  1.0 1.0
   38    42    51    58  -0.47000 -1.0 2.0
   38    42    51    58   0.11750  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    50   0.15000  1.0 3.0
   39    38    42    51   0.23400  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    50   0.15000  1.0 3.0
   40    38    42    51   0.23400  1.0 3.0
   42    50    52    53   7.00000 -1.0 2.0
   42    50    52    60   7.00000 -1.0 2.0
   42    50    54    55   0.34800  1.0 3.0
   42    50    54    56   0.34800  1.0 3.0
   42    50    54    57   0.34800  1.0 3.0
   42    51    58    59   3.00000 -1.0 2.0
   42    51    58    62   1.63150  1.0 1.0
   42    51    58    62   2.92000 -1.0 2.0
   43    42    50    52   0.00000  1.0 1.0
   43    42    50    54   0.34800  1.0 3.0
   43    42    51    58   0.08050  1.0 3.0
   50    42    51    58  -0.82050  1.0 1.0
   50    42    51    58   0.00600 -1.0 2.0
   50    42    51    58   0.04400  1.0 3.0
   50    52    60    61   0.00000  1.0 1.0
   50    52    60    66   0.09850  1.0 1.0
   50    52    60    66   0.15250 -1.0 2.0
   50    52    60    66  -0.50650  1.0 3.0
   50    52    60    80   0.39000  1.0 1.0
   50    52    60    80  -0.05800 -1.0 2.0
   50    52    60    80  -0.55150  1.0 3.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    56   0.00000  1.0 1.0
   52    50    54    57   0.00000  1.0 1.0
   52    60    66    67   0.15000  1.0 3.0
   52    60    66    68   0.31000  1.0 1.0
   52    60    66    68   0.14700 -1.0 2.0
   52    60    66    68   0.07550  1.0 3.0
   52    60    66    69   0.34400  1.0 1.0
   52    60    66    69   0.09450 -1.0 2.0
   52    60    66    69   0.11100  1.0 3.0
   52    60    80    71  -0.82050  1.0 1.0
   52    60    80    71   0.00600 -1.0 2.0
   52    60    80    71   0.04400  1.0 3.0
   53    52    60    61   0.33100  1.0 3.0
   53    52    60    66   0.00000  1.0 1.0
   53    52    60    80   0.00000  1.0 1.0
   60    66   -68    71   0.09700  1.0 1.0
   60    66   -68    71   0.15600 -1.0 2.0
   60    66   -68    71  -0.50800  1.0 3.0
   60    66    68    73   0.09850  1.0 1.0
   60    66    68    73   0.15250 -1.0 2.0
   60    66    68    73  -0.50650  1.0 3.0
   60    66    69    70   0.15000  1.0 3.0
   60    66    69    76   0.56750  1.0 1.0
   60    66    69    76  -0.07550 -1.0 2.0
   60    66    69    76   0.20000  1.0 3.0
   60    66    69    79   0.62750  1.0 1.0
   60    66    69    79  -0.30950 -1.0 2.0
   60    66    69    79   0.27300  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    69   0.15000  1.0 3.0
   61    60    80    71   0.08050  1.0 3.0
   66    60   -80    71  -0.25900  1.0 1.0
   66    60   -80    71  -0.47000 -1.0 2.0
   66    60   -80    71   0.11750  1.0 3.0
   66    68    71    72  -0.64400  1.0 1.0
   66    68    71    72   0.26850 -1.0 2.0
   66    68   -71    80  -0.15000  1.0 1.0
   66    68   -71    80   0.89550 -1.0 2.0
   66    68   -71    80  -0.06900  1.0 3.0
   66    68    73    74   7.00000 -1.0 2.0
   66    68    73    75   7.00000 -1.0 2.0
   66    69    76    77   0.15000  1.0 3.0
   66    69    76    78   0.15000  1.0 3.0
   66    69    76    41   0.56750  1.0 1.0
   66    69    76    41  -0.07550 -1.0 2.0
   66    69    76    41   0.20000  1.0 3.0
   66    69    79    81  -0.25900  1.0 1.0
   66    69    79    81  -0.47000 -1.0 2.0
   66    69    79    81   0.11750  1.0 3.0
   67    66    68    71   0.15000  1.0 3.0
   67    66    68    73   0.00000  1.0 1.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    76   0.15000  1.0 3.0
   67    66    69    79   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    76   0.34400  1.0 1.0
   68    66    69    76   0.09450 -1.0 2.0
   68    66    69    76   0.11100  1.0 3.0
   68    66    69    79   0.61850  1.0 1.0
   68    66    69    79  -0.22750 -1.0 2.0
   68    66    69    79   0.15300  1.0 3.0
   68    71   -80    60   2.00000 -1.0 2.0
   71    68    73    74   7.00000 -1.0 2.0
   71    68    73    75   7.00000 -1.0 2.0
   72    71    80    60   3.00000 -1.0 2.0
   80    60    66    67   0.23400  1.0 3.0
   80    60   -66    68   0.61850  1.0 1.0
   80    60   -66    68  -0.22750 -1.0 2.0
   80    60   -66    68   0.15300  1.0 3.0
   80    60    66    69   0.62750  1.0 1.0
   80    60    66    69  -0.30950 -1.0 2.0
   80    60    66    69   0.27300  1.0 3.0
   73    68    71    72   1.00000 -1.0 2.0
   73    68    71    80  -0.56150  1.0 1.0
   73    68    71    80   2.19150 -1.0 2.0
   69    66    68    71   0.09700  1.0 1.0
   69    66    68    71   0.15600 -1.0 2.0
   69    66    68    71  -0.50800  1.0 3.0
   69    66    68    73   0.09850  1.0 1.0
   69    66    68    73   0.15250 -1.0 2.0
   69    66    68    73  -0.50650  1.0 3.0
   69    76    41    33   0.56750  1.0 1.0
   69    76    41    33  -0.07550 -1.0 2.0
   69    76    41    33   0.20000  1.0 3.0
   69    76    41    44   0.56750  1.0 1.0
   69    76    41    44  -0.07550 -1.0 2.0
   69    76    41    44   0.20000  1.0 3.0
   69    76    41    48   0.86500  1.0 1.0
   69    76    41    48  -0.17500 -1.0 2.0
   69    76    41    48   0.20800  1.0 3.0
   69    79    81    82   3.00000 -1.0 2.0
   69    79    81    83   2.00000 -1.0 2.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    78   0.15000  1.0 3.0
   70    69    76    41   0.15000  1.0 3.0
   70    69    79    81   0.08050  1.0 3.0
   76    69    79    81  -0.25900  1.0 1.0
   76    69    79    81  -0.47000 -1.0 2.0
   76    69    79    81   0.11750  1.0 3.0
   76    41    44    45   0.15000  1.0 3.0
   76    41    44    46   0.15000  1.0 3.0
   76    41    44    47   0.15000  1.0 3.0
   76    41    48    49  -0.11600  1.0 1.0
   76    41    48    49  -0.09450 -1.0 2.0
   76    41    48    49   0.21250  1.0 3.0
   77    76    41    33   0.15000  1.0 3.0
   77    76    41    44   0.15000  1.0 3.0
   77    76    41    48   0.23400  1.0 3.0
   78    76    41    33   0.15000  1.0 3.0
   78    76    41    44   0.15000  1.0 3.0
   78    76    41    48   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   44    41    48    49  -0.11600  1.0 1.0
   44    41    48    49  -0.09450 -1.0 2.0
   44    41    48    49   0.21250  1.0 3.0
   48    41    44    45   0.23400  1.0 3.0
   48    41    44    46   0.23400  1.0 3.0
   48    41    44    47   0.23400  1.0 3.0
   79    69    76    77   0.23400  1.0 3.0
   79    69    76    78   0.23400  1.0 3.0
   79    69    76    41   0.62750  1.0 1.0
   79    69    76    41  -0.30950 -1.0 2.0
   79    69    76    41   0.27300  1.0 3.0
   79    81    83    84  -0.56150  1.0 1.0
   79    81    83    84   2.19150 -1.0 2.0
   79    81    83    87  -0.15000  1.0 1.0
   79    81    83    87   0.89550 -1.0 2.0
   79    81    83    87  -0.06900  1.0 3.0
   81    83    84    85   7.00000 -1.0 2.0
   81    83    84    86   7.00000 -1.0 2.0
   81    83    87    88   0.15000  1.0 3.0
   81    83    87    89   0.15000  1.0 3.0
   81    83    87    90   0.15000  1.0 3.0
   82    81    83    84   1.00000 -1.0 2.0
   82    81    83    87  -0.64400  1.0 1.0
   82    81    83    87   0.26850 -1.0 2.0
   84    83    87    88   0.00000  1.0 1.0
   84    83    87    89   0.00000  1.0 1.0
   84    83    87    90   0.00000  1.0 1.0
   87    83    84    85   7.00000 -1.0 2.0
   87    83    84    86   7.00000 -1.0 2.0
   54    50    52    53   7.00000 -1.0 2.0
   54    50    52    60   7.00000 -1.0 2.0
   51    42    50    52   0.39000  1.0 1.0
   51    42    50    52  -0.05800 -1.0 2.0
   51    42    50    52  -0.55150  1.0 3.0
   51    42    50    54   0.09700  1.0 1.0
   51    42    50    54   0.15600 -1.0 2.0
   51    42    50    54  -0.50800  1.0 3.0
   51    58    62    63   0.00000  1.0 1.0
   51    58    62    64   0.00000  1.0 1.0
   51    58    62    65   0.00000  1.0 1.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    65   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
   42    54    50    52   1.10000 -1.0 2.0
   60    53    52    50   1.10000 -1.0 2.0
   66    71    68    73   1.10000 -1.0 2.0
   68    80    71    72  10.50000 -1.0 2.0
   74    75    73    68   1.10000 -1.0 2.0
   79    83    81    82  10.50000 -1.0 2.0
   81    87    83    84  15.00000 -1.0 2.0
   85    86    84    83  15.00000 -1.0 2.0
   51    62    58    59  10.50000 -1.0 2.0
END
