* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    198    318     595
    1     0 S   NP   _N1_     1    28.56268    94.49323   -21.96290
    2     1 S   H    _HN1     2     1.02779    92.11519   -65.66328
    3     1 S   H    _H1_     3     1.02963    89.05150    42.63054
    4     1 S   H    _H2_     4     1.02836    29.87996   170.76565
    5     1 S   CT   _CA1     5     1.50110   140.51988   164.51751
    6     5 S   HC   _HA1     6     1.09575   105.25765    62.49130
    7     5 S   CO3  _C1_     7     1.53806   112.36954   -57.76506
    8     7 S   O2Z  _O11     8     1.26359   115.01628   -44.52415
    9     7 S   O2Z  _O12     9     1.26240   114.91929   134.70228
   10     5 S   CT   _CB1    10     1.53094   107.42888  -179.58646
   11    10 S   HC   HB11    11     1.09823   109.38823   -50.84400
   12    10 S   HC   HB12    12     1.09824   110.38734    65.71345
   13    10 S   CT   _CG1    13     1.52998   112.65605  -171.96627
   14    13 S   HC   HG11    14     1.09606   110.38276   -62.33189
   15    13 S   HC   HG12    15     1.09641   110.07039    56.90054
   16    13 S   C    _CD1    16     1.51794   112.29313   177.27760
   17    16 S   O    _OE1    17     1.22716   123.27380    -5.41834
   18    16 S   N    _N2_    18     1.38606   111.59368   174.74480
   19    18 S   H    _HN2    19     1.01587   119.01493     1.61058
   20    18 S   CT1  _CA2    20     1.46242   123.42804  -178.09074
   21    20 S   HC   _HA2    21     1.09733   109.43770   -11.40163
   22    20 S   C    _C2_    22     1.53425   108.34256  -127.14904
   23    22 S   O    _O2_    23     1.23014   122.22160  -145.80275
   24    20 S   CT   _CB2    32     1.53635   111.25203   110.70390
   25    24 S   HC   HB21    33     1.09303   108.90172    55.62379
   26    24 S   HC   HB22    34     1.09468   109.89988   174.46487
   27    22 S   N    _N3_    24     1.38501   113.37285    41.53437
   28    27 S   H    _HN3    25     1.01528   118.90230    -0.71079
   29    24 S   S    _SG2    35     1.82856   111.12075   -66.18342
   30    27 S   CT   _CA3    26     1.45457   123.53983   175.16329
   31    30 S   HC   HA31    27     1.09516   109.35717    22.00186
   32    30 S   HC   HA32    28     1.09500   107.09277   139.02157
   33    29 S   CT   _C22    36     1.90122   104.33063   168.27074
   34    30 S   CO3  _C3_    29     1.52919   113.02749  -101.55991
   35    34 S   O2Z  _O31    30     1.26411   115.36993   -45.27543
   36    34 S   O2Z  _O32    31     1.26350   115.00589   135.64209
   37    33 S   CT   _C14    37     1.55301   110.35996    28.57847
   38    37 S   HC   _H45    38     1.09590   111.41351    57.79314
   39    37 S   HC   _H46    39     1.09441   110.93687   -59.62664
   40    33 S   CT   _C15    73     1.58441   105.48459   147.81391
   41    40 S   HC   _H47    74     1.09239   109.18215  -178.28651
   42    37 S   CT   _C11    40     1.52654   113.69180  -179.19521
   43    42 S   HC   _H39    41     1.09699   108.19346   177.47772
   44    42 S   HC   _H40    42     1.09562   110.54372   -66.88985
   45    40 S   S    _S30    75     1.84429   115.64616   -60.79080
   46    42 S   CT   _C16    43     1.53242   111.70064    56.79052
   47    46 S   HC   _H48    44     1.09531   107.30250    64.76529
   48    45 S   CO4  _C6_    76     1.76364   100.97331  -165.79777
   49    48 S   O    _O27    77     1.22495   123.14713    20.82454
   50    46 S   CT   _C17    45     1.53346   110.93247  -176.41985
   51    50 S   HC   _H49    46     1.10323   106.59425    63.74796
   52    46 S   CT   _C18    62     1.56167   111.37467   -54.94230
   53    52 S   HC   _H50    63     1.09682   105.79687   -61.78854
   54    48 S   CT   _C23    78     1.50180   113.71529  -160.20287
   55    54 S   HC   _H52    79     1.09343   110.22895   -62.62044
   56    54 S   HC   _H53    80     1.09418   109.26081   178.29337
   57    54 S   HC   _H54    81     1.09355   110.29720    59.40289
   58    50 S   CT   _C9_    47     1.52633   119.15853   -55.84939
   59    58 S   HC   _H35    48     1.09477   112.01584    78.75919
   60    58 S   HC   _H36    49     1.09568   111.52393   -41.94473
   61    33 S   CT   _C20    64     1.61013   111.53045   -93.80034
   62    58 S   CT   _C12    50     1.53925   104.04693  -160.94512
   63    62 S   HC   _H41    51     1.09578   110.78341   130.06643
   64    62 S   HC   _H42    52     1.09576   110.63432  -111.51641
   65    61 S   CT   _C8_    65     1.56376   109.61949   -62.48122
   66    65 S   HC   _H33    66     1.09572   110.81394  -178.92280
   67    65 S   HC   _H34    67     1.09802   109.55426    66.28299
   68    61 S   CT   _C24    82     1.55456   112.27830    54.57642
   69    68 S   HC   _H55    83     1.09243   112.70459    59.76054
   70    68 S   HC   _H56    84     1.09425   112.02635   -61.95478
   71    68 S   HC   _H57    85     1.09432   111.64771  -179.40127
   72    62 S   CT   _C19    53     1.54449   106.36052     7.98527
   73    72 S   HC   _H51    54     1.09904   109.92326   -95.70966
   74    65 S   CT   _C7_    68     1.52021   114.43139   -55.25931
   75    74 S   HC   _H31    69     1.09395   112.14587   -67.41680
   76    74 S   HC   _H32    70     1.09568   109.52889   173.48209
   77    50 S   CT   _C21    55     1.53965   112.86211  -177.40595
   78    74 S   CO4  _C4_    71     1.50910   110.10054    53.83956
   79    78 S   O    _O25    72     1.23033   120.31496   129.21574
   80    72 S   OS   _O28    90     1.43182   112.19633   142.17763
   81    77 S   CT   _C13    56     1.53310   107.97502   -62.41925
   82    81 S   HC   _H43    57     1.09782   110.11292   -63.51316
   83    81 S   HC   _H44    58     1.09666   110.66483   179.26778
   84    77 S   CT   _C25    86     1.55038   114.64048    59.96454
   85    84 S   HC   _H58    87     1.09457   112.45538    61.85060
   86    84 S   HC   _H59    88     1.09310   112.80678   -59.02801
   87    84 S   HC   _H60    89     1.09630   110.59812  -178.56169
   88    80 S   CO4  _C5_    91     1.36534   116.71750    76.14781
   89    88 S   O    _O26    92     1.22294   125.93339     0.22555
   90    81 S   CT   _C10    59     1.53983   111.48607    56.93734
   91    90 S   HC   _H37    60     1.09315   108.59301    70.93978
   92    90 S   HC   _H38    61     1.09507   107.16940  -174.45331
   93    88 S   CT   _C27    93     1.51041   108.81911  -179.77186
   94    93 S   HC   _H64    94     1.09512   108.44984   -59.46594
   95    93 S   HC   _H65    95     1.09515   108.44519    58.93422
   96    93 S   CT   _C26    96     1.51858   112.10168   179.71333
   97    96 S   HC   _H61    97     1.09509   111.04292   -59.92022
   98    96 S   HC   _H62    98     1.09509   111.04465    60.00449
   99    96 S   HC   _H63    99     1.09431   110.39155  -179.96574
  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  13   5   4   3
  25   2   1   1  16   7   6  15   6  12   5   4  10  19   8   6
   4  22   9  18   7   3   2   1   1  11   6   5  15   9   5   4
  12   6   5   5   2   1   1  14   5   4   3   2  12   1   1   8
   9   5   4   4   2   1   1   8   4   2   1   1   6   5   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    52    61    65    78    40    41    45    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    46    90    52    53    61    65    66    67    74    78    79    40    41    45    48    68    69    70    71  
   35    36  
   36  
    0  
   38    39    42    43    44    46    47    50    52    61    65    78    40    41    45    68  
   39    42    43    44    46    61    40  
   42    43    44    46    61    40  
   41    45    48    49    54    68    42    52    61    65    74    75    76    78    79  
   45    48    61    74    78    79  
   43    44    46    47    50    51    58    77    90    52    53    61  
   44    46    47    50    52  
   46    47    50    52  
   48    49    54    55    56    57    61    74    78    79  
   47    50    51    58    59    60    62    72    77    81    90    91    92    52    53    61    65    68    84  
   50    51    58    77    90    52    53    61  
   49    54    55    56    57    78  
   54    55    56    57  
   51    58    59    60    62    63    64    72    73    77    81    82    83    90    52    53    61    84    85    86    87    80  
   58    59    60    62    72    77    81    52    84  
   53    61    65    66    67    74    68    69    70    71    58    77    81    82    83    90    91    92  
   61    65    68    81    90    91    92  
   55    56    57  
   56    57  
   57  
    0  
   59    60    62    63    64    72    73    77    81    84    80  
   60    62    63    64    72    77  
   62    63    64    72    77  
   65    66    67    74    75    76    78    68    69    70    71    81    90    91    92  
   63    64    72    73    77    81    84    80    88  
   64    72    73    77    80  
   72    73    77    80  
   66    67    74    75    76    78    79    68    69    70    71    90  
   67    74    75    76    78    68  
   74    75    76    78    68  
   69    70    71    74    90  
   70    71  
   71  
    0  
   73    77    81    82    83    90    84    85    86    87    80    88    89    93  
   77    81    84    80    88  
   75    76    78    79  
   76    78    79  
   78    79  
   81    82    83    90    91    92    84    85    86    87    80    88  
   79  
    0  
   88    89    93    94    95    96    81    84  
   82    83    90    91    92    84    85    86    87  
   83    90    91    92    84  
   90    91    92    84  
   85    86    87    90  
   86    87  
   87  
    0  
   89    93    94    95    96    97    98    99  
   93    94    95    96  
   91    92  
   92  
    0  
   94    95    96    97    98    99  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99  
   98    99  
   99  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   99   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    61   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   268.000  1.529
   50    51   340.000  1.090
   50    58   268.000  1.529
   50    77   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    72   268.000  1.529
   72    73   340.000  1.090
   72    77   268.000  1.529
   72    80   320.000  1.410
   77    81   268.000  1.529
   77    84   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    52   268.000  1.529
   52    53   340.000  1.090
   52    61   268.000  1.529
   61    65   268.000  1.529
   61    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    78   317.000  1.522
   78    79   570.000  1.229
   78    40   317.000  1.522
   40    41   340.000  1.090
   40    45   222.000  1.810
   45    48   210.000  1.799
   48    49   570.000  1.229
   48    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   80    88   214.000  1.327
   88    89   570.000  1.229
   88    93   317.000  1.522
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    61    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    61    52    58.35000  112.70000
   33    61    65    58.35000  112.70000
   33    61    68    58.35000  112.70000
   33    40    78    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    45    75.00000  111.63000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    46    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    46    47    37.50000  110.70000
   42    46    50    58.35000  112.70000
   42    46    52    58.35000  112.70000
   44    42    43    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    58    58.35000  112.70000
   46    50    77    58.35000  112.70000
   46    52    90    58.35000  112.70000
   46    52    53    37.50000  110.70000
   46    52    61    58.35000  112.70000
   50    46    47    37.50000  110.70000
   50    58    59    37.50000  110.70000
   50    58    60    37.50000  110.70000
   50    58    62    58.35000  112.70000
   50    77    72    58.35000  112.70000
   50    77    81    58.35000  112.70000
   50    77    84    58.35000  112.70000
   58    50    51    37.50000  110.70000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    72    58.35000  112.70000
   60    58    59    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    37.50000  110.70000
   62    72    73    37.50000  110.70000
   62    72    77    58.35000  112.70000
   62    72    80    50.00000  109.50000
   64    62    63    33.00000  107.80000
   72    62    63    37.50000  110.70000
   72    62    64    37.50000  110.70000
   72    77    81    58.35000  112.70000
   72    77    84    58.35000  112.70000
   72    80    88    83.00000  116.90000
   77    50    51    37.50000  110.70000
   77    50    58    58.35000  112.70000
   77    72    73    37.50000  110.70000
   77    81    82    37.50000  110.70000
   77    81    83    37.50000  110.70000
   77    81    90    58.35000  112.70000
   77    84    85    37.50000  110.70000
   77    84    86    37.50000  110.70000
   77    84    87    37.50000  110.70000
   81    90    91    37.50000  110.70000
   81    90    92    37.50000  110.70000
   81    90    52    58.35000  112.70000
   83    81    82    33.00000  107.80000
   90    81    82    37.50000  110.70000
   90    81    83    37.50000  110.70000
   90    52    53    37.50000  110.70000
   90    52    61    58.35000  112.70000
   92    90    91    33.00000  107.80000
   52    46    47    37.50000  110.70000
   52    46    50    58.35000  112.70000
   52    90    91    37.50000  110.70000
   52    90    92    37.50000  110.70000
   52    61    65    58.35000  112.70000
   52    61    68    58.35000  112.70000
   61    33    37    58.35000  112.70000
   61    52    53    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    74    58.35000  112.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   65    74    75    37.50000  110.70000
   65    74    76    37.50000  110.70000
   65    74    78    63.00000  111.10000
   67    65    66    33.00000  107.80000
   74    65    66    37.50000  110.70000
   74    65    67    37.50000  110.70000
   74    78    79    80.00000  120.40000
   74    78    40    70.00000  116.00000
   76    74    75    33.00000  107.80000
   78    74    75    35.00000  109.50000
   78    74    76    35.00000  109.50000
   78    40    41    35.00000  109.50000
   78    40    45    75.00000  110.18000
   40    33    37    58.35000  112.70000
   40    33    61    58.35000  112.70000
   40    78    79    80.00000  120.40000
   40    45    48    90.00000   96.72000
   45    40    41    35.00000  109.50000
   45    48    49    80.00000  121.30200
   45    48    54    70.00000  114.16300
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   54    48    49    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   68    61    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   84    77    81    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   80    72    73    35.00000  109.50000
   80    72    77    50.00000  109.50000
   80    88    89    83.00000  123.40000
   80    88    93    81.00000  111.40000
   88    93    94    35.00000  109.50000
   88    93    95    35.00000  109.50000
   88    93    96    63.00000  111.10000
   93    88    89    80.00000  120.40000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  1.0 3.0
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   40    45    48    49  -0.11550  1.0 1.0
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   40    45    48    54  -0.11550  1.0 1.0
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   68    61    65    74  -0.07550 -1.0 2.0
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   84    77    81    83   0.15000  1.0 3.0
   84    77    81    90   0.56750  1.0 1.0
   84    77    81    90  -0.07550 -1.0 2.0
   84    77    81    90   0.20000  1.0 3.0
   80    72    77    50   0.62750  1.0 1.0
   80    72    77    50  -0.30950 -1.0 2.0
   80    72    77    50   0.27300  1.0 3.0
   80    72    77    81   0.62750  1.0 1.0
   80    72    77    81  -0.30950 -1.0 2.0
   80    72    77    81   0.27300  1.0 3.0
   80    72    77    84   0.62750  1.0 1.0
   80    72    77    84  -0.30950 -1.0 2.0
   80    72    77    84   0.27300  1.0 3.0
   80    88    93    94   0.00000  1.0 1.0
   80    88    93    95   0.00000  1.0 1.0
   80    88    93    96   0.36750  1.0 3.0
   88    93    96    97  -0.11250  1.0 3.0
   88    93    96    98  -0.11250  1.0 3.0
   88    93    96    99  -0.11250  1.0 3.0
   89    88    93    94   0.00000  1.0 1.0
   89    88    93    95   0.00000  1.0 1.0
   89    88    93    96   0.30150 -1.0 2.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   74    40    78    79  10.50000 -1.0 2.0
   45    54    48    49  10.50000 -1.0 2.0
   80    93    88    89  10.50000 -1.0 2.0
END
