* LIGAND DATABASE FILE (OPLS2005)
*
001      98    97    171    248     498
    1     0 S   NP   _N1_     1    28.32313    96.29733   -19.52348
    2     1 S   H    _HN1     2     1.02783    77.90546   -81.57450
    3     1 S   H    _H1_     3     1.02961    89.33391    27.32557
    4     1 S   H    _H2_     4     1.02840    42.33992   143.90637
    5     1 S   CT   _CA1     5     1.50100   151.98192   163.48390
    6     5 S   HC   _HA1     6     1.09570   105.26473    45.15594
    7     5 S   CO3  _C1_     7     1.53791   112.44258   -75.12512
    8     7 S   O2Z  _O11     8     1.26347   115.03463   -42.93985
    9     7 S   O2Z  _O12     9     1.26243   114.98935   136.51482
   10     5 S   CT   _CB1    10     1.53125   107.44886   163.14213
   11    10 S   HC   HB11    11     1.09817   109.41678   -50.45838
   12    10 S   HC   HB12    12     1.09820   110.37822    66.12347
   13    10 S   CT   _CG1    13     1.52976   112.62251  -171.57377
   14    13 S   HC   HG11    14     1.09481   110.34949   -61.75694
   15    13 S   HC   HG12    15     1.09639   110.08170    57.38268
   16    13 S   C    _CD1    16     1.51756   112.42128   177.73730
   17    16 S   O    _OE1    17     1.22708   123.23670    -8.21513
   18    16 S   N    _N2_    18     1.38642   111.59363   172.35558
   19    18 S   H    _HN2    19     1.01589   119.01870     1.09575
   20    18 S   CT1  _CA2    20     1.46200   123.40346  -179.94405
   21    20 S   HC   _HA2    21     1.09738   109.35244   -12.72768
   22    20 S   C    _C2_    22     1.53442   108.18859  -128.29508
   23    22 S   O    _O2_    23     1.23009   122.26917  -145.20590
   24    20 S   CT   _CB2    32     1.53451   111.58679   109.45505
   25    24 S   HC   HB21    33     1.09474   109.80667    54.75011
   26    24 S   HC   HB22    34     1.09511   110.16887   173.69976
   27    22 S   N    _N3_    24     1.38515   113.34519    42.09255
   28    27 S   H    _HN3    25     1.01525   118.93991    -0.46182
   29    24 S   S    _SG2    35     1.82703   111.73182   -66.66453
   30    27 S   CT   _CA3    26     1.45453   123.44497   175.09096
   31    30 S   HC   HA31    27     1.09522   109.24576    24.29237
   32    30 S   HC   HA32    28     1.09495   107.12178   141.31012
   33    29 S   CT   _C20    36     1.84316    99.84020  -179.53987
   34    33 S   HC   _H5_    37     1.09746   105.78622    42.90098
   35    30 S   CO3  _C3_    29     1.52927   113.09973   -99.18153
   36    35 S   O2Z  _O31    30     1.26402   115.40165   -44.21267
   37    35 S   O2Z  _O32    31     1.26353   114.97885   136.70418
   38    33 S   CM   _C19    38     1.51220   107.02682   158.63092
   39    38 S   HC   _H27    39     1.08902   117.11854    63.48656
   40    33 S   CT   _C21    78     1.55102   113.48296   -75.38839
   41    40 S   HC   _H6_    79     1.09756   109.16635    54.31470
   42    38 S   CM   _C18    40     1.34311   123.56606  -116.82180
   43    42 S   HC   _H26    41     1.08520   118.90888     0.15451
   44    40 S   C    _C23    80     1.53313   113.37778   -65.77567
   45    44 S   O    _O33    81     1.22939   122.53260   -92.24359
   46    40 S   CT   _C22    95     1.53470   111.01690   170.69988
   47    46 S   HC   _H28    96     1.09509   112.20250    63.36040
   48    46 S   HC   _H29    97     1.09504   110.77971   -57.64950
   49    46 S   HC   _H30    98     1.09584   110.45429  -177.07497
   50    42 S   CM   _C17    42     1.44678   122.80574  -179.73386
   51    50 S   HC   _H25    43     1.08959   115.71826    -0.19383
   52    44 S   N    _N4_    82     1.38506   113.00039    87.03532
   53    52 S   H    _H31    83     1.01513   119.00086    -3.37081
   54    50 S   CM   _C16    44     1.34289   127.50234   179.75772
   55    54 S   HC   _H24    45     1.08954   116.76429  -179.96044
   56    52 S   CT   _C24    84     1.46185   123.03548  -177.36946
   57    56 S   HC   _H7_    85     1.09662   107.67600   -26.22662
   58    54 S   CM   _C15    46     1.44767   127.49179    -0.00000
   59    58 S   HC   _H23    47     1.08560   117.95612     0.40445
   60    56 S   CT   _C25    86     1.52573   109.48700    92.13787
   61    60 S   HC   _H32    87     1.09572   111.20039    61.44511
   62    60 S   HC   _H33    88     1.09550   110.88973   -58.05840
   63    60 S   HC   _H34    89     1.09467   110.93218  -178.00041
   64    56 S   CT   _C26    90     1.52932   110.57273  -145.31018
   65    64 S   HC   _H35    91     1.09477   110.66703  -174.27765
   66    64 S   HC   _H36    92     1.09424   111.44616   -52.80854
   67    58 S   CM   _C14    48     1.34329   122.72705   179.96574
   68    67 S   HC   _H22    49     1.08856   119.95553    -1.28497
   69    64 S   OH   _O34    93     1.42374   109.57521    66.96348
   70    69 S   HO   _H37    94     0.97263   106.82126   178.60956
   71    67 S   CM   _C12    50     1.45930   124.83155  -179.16420
   72    71 S   CM   _C11    51     1.34848   121.27366   -48.25154
   73    72 S   HC   _H18    52     1.09087   118.15559     1.12257
   74    71 S   CT   _C13    74     1.50407   113.36243   133.24121
   75    74 S   HC   _H19    75     1.09539   110.37313    70.66053
   76    74 S   HC   _H20    76     1.09211   113.42720  -168.11235
   77    74 S   HC   _H21    77     1.09639   110.45175   -48.97006
   78    72 S   CT   _C9_    53     1.51876   127.96686  -178.13607
   79    78 S   HC   _H4_    54     1.09424   109.78721     7.83739
   80    78 S   CT   _C10    55     1.53388   108.30578   124.81431
   81    80 S   HC   _H15    56     1.09601   111.47476    66.14999
   82    80 S   HC   _H16    57     1.09618   110.92873   -54.05631
   83    80 S   HC   _H17    58     1.09465   111.36682  -173.23398
   84    78 S   CT   _C8_    59     1.55029   109.96460  -112.03604
   85    84 S   HC   _H3_    60     1.09823   108.75208   -52.06800
   86    84 S   CM   _C6_    61     1.52453   114.43908  -175.71723
   87    84 S   OH   _O35    72     1.43247   108.63953    63.15133
   88    87 S   HO   _H38    73     0.97256   107.40368  -179.00142
   89    86 S   CM   _C5_    62     1.34834   119.61917   117.93647
   90    89 S   HC   _H11    63     1.08931   118.19145     0.41069
   91    86 S   CT   _C7_    68     1.50679   116.15268   -62.62856
   92    91 S   HC   _H12    69     1.09489   110.64571   -48.89066
   93    91 S   HC   _H13    70     1.09429   110.42843    70.99669
   94    91 S   HC   _H14    71     1.09215   113.29774  -168.07777
   95    89 S   CT   _C4_    64     1.49488   128.21930  -178.54869
   96    95 S   HC   _H8_    65     1.09421   109.83384  -112.33806
   97    95 S   HC   _H9_    66     1.09140   113.83522     9.50564
   98    95 S   HC   _H10    67     1.09501   109.35348   129.27225
  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
  15   7   2   1   1  10   4  11   7   6   3  11   4   4   2   1
   1   6   3  11   4   6   3  10   8   6   3   7   3   2   1   4
   3   2   9   3   1   1  10  15   5   4   2   1   1  12   8   7
   3   2   1  11   5  12   3   1   9   5   4   2   1   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    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    50    40    41    44    45    52    46    47    48    49  
   38    39    42    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    50    51    54    40    41    44    46  
   42    43    50    40  
   41    44    45    52    53    56    46    47    48    49    42  
   44    45    52    46    47    48    49  
   43    50    51    54    55    58  
   50    51    54  
   45    52    53    56    57    60    64    46    47    48    49  
   52    53    56    46  
   47    48    49    52  
   48    49  
   49  
    0  
   51    54    55    58    59    67  
   54    55    58  
   53    56    57    60    61    62    63    64    65    66    69  
   56    57    60    64  
   55    58    59    67    68    71  
   58    59    67  
   57    60    61    62    63    64    65    66    69    70  
   60    61    62    63    64    65    66    69  
   59    67    68    71    72    74  
   67    68    71  
   61    62    63    64    65    66    69  
   62    63    64  
   63    64  
   64  
   65    66    69    70  
   66    69    70  
   69    70  
   68    71    72    73    78    74    75    76    77  
   71    72    74  
   70  
    0  
   72    73    78    79    80    84    74    75    76    77  
   73    78    79    80    81    82    83    84    85    86    87    74    75    76    77  
   78    79    80    84    74  
   75    76    77    78  
   76    77  
   77  
    0  
   79    80    81    82    83    84    85    86    89    91    87    88  
   80    81    82    83    84    85    86    87  
   81    82    83    84    85    86    87  
   82    83    84  
   83    84  
   84  
   85    86    89    90    95    91    92    93    94    87    88  
   86    89    91    87    88  
   89    90    95    96    97    98    91    92    93    94    87    88  
   88    89    91  
    0  
   90    95    96    97    98    91    92    93    94  
   95    96    97    98    91  
   92    93    94    95  
   93    94  
   94  
    0  
   96    97    98  
   97    98  
   98  
    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  -0.115000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   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   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    50   380.000  1.444
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    58   380.000  1.444
   58    59   340.000  1.080
   58    67   549.000  1.340
   67    68   340.000  1.080
   67    71   380.000  1.444
   71    72   549.000  1.340
   71    74   317.000  1.510
   72    73   340.000  1.080
   72    78   317.000  1.510
   78    79   340.000  1.090
   78    80   268.000  1.529
   78    84   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   84    85   340.000  1.090
   84    86   317.000  1.510
   84    87   320.000  1.410
   86    89   549.000  1.340
   86    91   317.000  1.510
   89    90   340.000  1.080
   89    95   317.000  1.510
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   87    88   553.000  0.945
   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   317.000  1.522
   40    46   268.000  1.529
   44    45   570.000  1.229
   44    52   490.000  1.335
   52    53   434.000  1.010
   52    56   337.000  1.449
   56    57   340.000  1.090
   56    60   268.000  1.529
   56    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   320.000  1.410
   69    70   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  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    63.00000  111.10000
   33    40    46    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    50    70.00000  123.01800
   42    38    39    35.00000  120.00000
   42    50    51    35.00000  120.00000
   42    50    54    70.00000  123.01800
   50    42    43    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    58    70.00000  123.01800
   54    50    51    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    67    70.00000  123.01800
   58    54    55    35.00000  120.00000
   58    67    68    35.00000  120.00000
   58    67    71    70.00000  123.01800
   67    58    59    35.00000  120.00000
   67    71    72    70.00000  123.01800
   67    71    74    70.00000  124.00000
   71    67    68    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    78    70.00000  124.00000
   71    74    75    35.00000  109.50000
   71    74    76    35.00000  109.50000
   71    74    77    35.00000  109.50000
   72    78    79    35.00000  109.50000
   72    78    80    70.00000  112.02700
   72    78    84    70.00000  112.02700
   78    72    73    35.00000  117.00000
   78    80    81    37.50000  110.70000
   78    80    82    37.50000  110.70000
   78    80    83    37.50000  110.70000
   78    84    85    37.50000  110.70000
   78    84    86    70.00000  112.02700
   78    84    87    50.00000  109.50000
   80    78    79    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   84    78    79    37.50000  110.70000
   84    78    80    58.35000  112.70000
   84    86    89    70.00000  124.00000
   84    86    91    65.00000  117.92700
   84    87    88    55.00000  108.50000
   86    84    85    35.00000  109.50000
   86    89    90    35.00000  120.00000
   86    89    95    70.00000  124.00000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    94    35.00000  109.50000
   89    95    96    35.00000  109.50000
   89    95    97    35.00000  109.50000
   89    95    98    35.00000  109.50000
   95    89    90    35.00000  117.00000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   91    86    89    70.00000  124.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   87    84    85    35.00000  109.50000
   87    84    86    90.00000  110.39200
   74    71    72    70.00000  124.00000
   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    80.00000  120.40000
   40    44    52    70.00000  116.60000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    52    53    35.00000  119.80000
   44    52    56    50.00000  121.90000
   52    44    45    80.00000  122.90000
   52    56    57    35.00000  109.50000
   52    56    60    70.00000  110.72300
   52    56    64    70.00000  110.72300
   56    52    53    38.00000  118.40000
   56    60    61    37.50000  110.70000
   56    60    62    37.50000  110.70000
   56    60    63    37.50000  110.70000
   56    64    65    37.50000  110.70000
   56    64    66    37.50000  110.70000
   56    64    69    50.00000  109.50000
   60    56    57    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    56    57    37.50000  110.70000
   64    56    60    58.35000  112.70000
   64    69    70    55.00000  108.50000
   66    64    65    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    35.00000  109.50000
   46    40    41    37.50000  110.70000
   46    40    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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  -0.62250  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   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  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    50   7.00000 -1.0 2.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    52   1.39750  1.0 1.0
   33    40    44    52  -0.07950 -1.0 2.0
   33    40    44    52  -0.18750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  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  -0.11250  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  -0.98800  1.0 1.0
   38    33    40    44   0.48800 -1.0 2.0
   38    33    40    44   0.76800  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    50    51  -0.18600  1.0 3.0
   38    42    50    54   0.28850  1.0 1.0
   38    42    50    54   2.61350 -1.0 2.0
   38    42    50    54   0.78400  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    50   7.00000 -1.0 2.0
   42    50    54    55   7.00000 -1.0 2.0
   42    50    54    58   7.00000 -1.0 2.0
   43    42    50    51   0.00000  1.0 1.0
   43    42    50    54  -0.18600  1.0 3.0
   50    54    58    59  -0.18600  1.0 3.0
   50    54    58    67   0.28850  1.0 1.0
   50    54    58    67   2.61350 -1.0 2.0
   50    54    58    67   0.78400  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    58   7.00000 -1.0 2.0
   54    58    67    68   7.00000 -1.0 2.0
   54    58    67    71   7.00000 -1.0 2.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    67  -0.18600  1.0 3.0
   58    67    71    72   0.28850  1.0 1.0
   58    67    71    72   2.61350 -1.0 2.0
   58    67    71    72   0.78400  1.0 3.0
   58    67    71    74  -0.18600  1.0 3.0
   59    58    67    68   7.00000 -1.0 2.0
   59    58    67    71   7.00000 -1.0 2.0
   67    71    72    73   7.00000 -1.0 2.0
   67    71    72    78   7.00000 -1.0 2.0
   67    71    74    75   0.00000  1.0 1.0
   67    71    74    76   0.00000  1.0 1.0
   67    71    74    77   0.00000  1.0 1.0
   68    67    71    72  -0.18600  1.0 3.0
   68    67    71    74   0.00000  1.0 1.0
   71    72    78    79   0.00000  1.0 1.0
   71    72    78    80   0.09850  1.0 1.0
   71    72    78    80   0.15250 -1.0 2.0
   71    72    78    80  -0.50650  1.0 3.0
   71    72    78    84   0.09850  1.0 1.0
   71    72    78    84   0.15250 -1.0 2.0
   71    72    78    84  -0.50650  1.0 3.0
   72    71    74    75   0.00000  1.0 1.0
   72    71    74    76   0.00000  1.0 1.0
   72    71    74    77   0.00000  1.0 1.0
   72    78    80    81   0.15000  1.0 3.0
   72    78    80    82   0.15000  1.0 3.0
   72    78    80    83   0.15000  1.0 3.0
   72    78    84    85   0.15000  1.0 3.0
   72    78    84    86   0.31000  1.0 1.0
   72    78    84    86   0.14700 -1.0 2.0
   72    78    84    86   0.07550  1.0 3.0
   72    78    84    87   1.05650  1.0 1.0
   72    78    84    87   0.15600 -1.0 2.0
   72    78    84    87   0.53150  1.0 3.0
   73    72    78    79   0.33100  1.0 3.0
   73    72    78    80   0.00000  1.0 1.0
   73    72    78    84   0.00000  1.0 1.0
   78    84    86    89   0.09850  1.0 1.0
   78    84    86    89   0.15250 -1.0 2.0
   78    84    86    89  -0.50650  1.0 3.0
   78    84    86    91   0.46850  1.0 1.0
   78    84    86    91   0.08550 -1.0 2.0
   78    84    86    91   0.09800  1.0 3.0
   78    84    87    88  -0.11600  1.0 1.0
   78    84    87    88  -0.09450 -1.0 2.0
   78    84    87    88   0.21250  1.0 3.0
   79    78    80    81   0.15000  1.0 3.0
   79    78    80    82   0.15000  1.0 3.0
   79    78    80    83   0.15000  1.0 3.0
   79    78    84    85   0.15000  1.0 3.0
   79    78    84    86   0.15000  1.0 3.0
   79    78    84    87   0.23400  1.0 3.0
   80    78    84    85   0.15000  1.0 3.0
   80    78    84    86   0.34400  1.0 1.0
   80    78    84    86   0.09450 -1.0 2.0
   80    78    84    86   0.11100  1.0 3.0
   80    78    84    87   0.86500  1.0 1.0
   80    78    84    87  -0.17500 -1.0 2.0
   80    78    84    87   0.20800  1.0 3.0
   84    78    80    81   0.15000  1.0 3.0
   84    78    80    82   0.15000  1.0 3.0
   84    78    80    83   0.15000  1.0 3.0
   84    86    89    90   7.00000 -1.0 2.0
   84    86    89    95   7.00000 -1.0 2.0
   84    86    91    92   0.34800  1.0 3.0
   84    86    91    93   0.34800  1.0 3.0
   84    86    91    94   0.34800  1.0 3.0
   85    84    86    89   0.00000  1.0 1.0
   85    84    86    91   0.34800  1.0 3.0
   85    84    87    88   0.19450  1.0 3.0
   86    84    87    88  -0.07800  1.0 1.0
   86    84    87    88  -0.21500 -1.0 2.0
   86    84    87    88  -0.03150  1.0 3.0
   86    89    95    96   0.00000  1.0 1.0
   86    89    95    97   0.00000  1.0 1.0
   86    89    95    98   0.00000  1.0 1.0
   89    86    91    92   0.00000  1.0 1.0
   89    86    91    93   0.00000  1.0 1.0
   89    86    91    94   0.00000  1.0 1.0
   90    89    95    96   0.33100  1.0 3.0
   90    89    95    97   0.33100  1.0 3.0
   90    89    95    98   0.33100  1.0 3.0
   91    86    89    90   7.00000 -1.0 2.0
   91    86    89    95   7.00000 -1.0 2.0
   87    84    86    89   0.67800  1.0 1.0
   87    84    86    89   0.47050 -1.0 2.0
   87    84    86    89  -0.62500  1.0 3.0
   87    84    86    91   0.18000  1.0 1.0
   87    84    86    91   0.16450 -1.0 2.0
   87    84    86    91   0.04450  1.0 3.0
   74    71    72    73   7.00000 -1.0 2.0
   74    71    72    78   7.00000 -1.0 2.0
   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    52    53   2.45000 -1.0 2.0
   40    44    52    56   1.49850  1.0 1.0
   40    44    52    56   1.53950 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    52   0.00000  1.0 1.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    49   0.15000  1.0 3.0
   44    40    46    47  -0.11250  1.0 3.0
   44    40    46    48  -0.11250  1.0 3.0
   44    40    46    49  -0.11250  1.0 3.0
   44    52    56    57   0.00000  1.0 1.0
   44    52    56    60  -0.43950  1.0 1.0
   44    52    56    60  -0.08100 -1.0 2.0
   44    52    56    60   0.03350  1.0 3.0
   44    52    56    64  -0.43950  1.0 1.0
   44    52    56    64  -0.08100 -1.0 2.0
   44    52    56    64   0.03350  1.0 3.0
   45    44    52    53   2.45000 -1.0 2.0
   45    44    52    56   3.04450 -1.0 2.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56    60    63   0.15000  1.0 3.0
   52    56    64    65   0.15000  1.0 3.0
   52    56    64    66   0.15000  1.0 3.0
   52    56    64    69   2.76900  1.0 1.0
   52    56    64    69  -0.24350 -1.0 2.0
   52    56    64    69  -0.78250  1.0 3.0
   53    52    56    57   0.00000  1.0 1.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    64   0.00000  1.0 1.0
   56    64    69    70  -0.11600  1.0 1.0
   56    64    69    70  -0.09450 -1.0 2.0
   56    64    69    70   0.21250  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    63   0.15000  1.0 3.0
   57    56    64    65   0.15000  1.0 3.0
   57    56    64    66   0.15000  1.0 3.0
   57    56    64    69   0.23400  1.0 3.0
   60    56    64    65   0.15000  1.0 3.0
   60    56    64    66   0.15000  1.0 3.0
   60    56    64    69   0.86500  1.0 1.0
   60    56    64    69  -0.17500 -1.0 2.0
   60    56    64    69   0.20800  1.0 3.0
   64    56    60    61   0.15000  1.0 3.0
   64    56    60    62   0.15000  1.0 3.0
   64    56    60    63   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70   0.19450  1.0 3.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    52   1.39750  1.0 1.0
   46    40    44    52  -0.07950 -1.0 2.0
   46    40    44    52  -0.18750  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    42  15.00000 -1.0 2.0
   50    43    42    38  15.00000 -1.0 2.0
   42    51    50    54  15.00000 -1.0 2.0
   58    55    54    50  15.00000 -1.0 2.0
   54    59    58    67  15.00000 -1.0 2.0
   71    68    67    58  15.00000 -1.0 2.0
   67    74    71    72  15.00000 -1.0 2.0
   78    73    72    71  15.00000 -1.0 2.0
   84    91    86    89  15.00000 -1.0 2.0
   95    90    89    86  15.00000 -1.0 2.0
   40    52    44    45  10.50000 -1.0 2.0
   53    44    52    56   1.00000 -1.0 2.0
END
