* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    198    318     595
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02091    98.23009   -53.50010
    3     1 S   H    _H1_     3     1.02069    80.65826    54.24973
    4     1 S   H    _H2_     4     1.02153    35.71491  -164.16648
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08519   110.67109    58.69410
   26    24 S   HC   HB22    34     1.08519   110.01707   179.18699
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.88624    95.96776   161.85506
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C17    37     1.55077   106.43288    39.99873
   38    37 S   HC   _H22    38     1.09731   111.42051   -55.92370
   39    37 S   HC   _H23    39     1.09706   109.58522  -171.78030
   40    33 S   CT   _C23    73     1.56144   107.25990   -80.44052
   41    40 S   HC   _H28    74     1.09503   109.92114   177.84750
   42    37 S   CT   _C16    40     1.53402   114.14567    66.30337
   43    42 S   HC   _H20    41     1.09791   108.13345   173.31071
   44    42 S   HC   _H21    42     1.09688   109.94016   -71.86239
   45    40 S   S    _S1_    75     1.83731   116.39573    61.39557
   46    42 S   CT   _C15    43     1.53340   113.48268    51.70532
   47    46 S   HC   _H6_    44     1.09465   106.93534    69.58708
   48    45 S   CO4  _C24    76     1.75788    99.44122   153.30151
   49    48 S   O    _O36    77     1.22464   124.28568    29.91583
   50    46 S   CT   _C10    45     1.53294   111.40028  -172.18053
   51    50 S   HC   _H4_    46     1.10356   106.63410    64.99430
   52    46 S   CT   _C14    62     1.56304   111.97413   -50.42144
   53    52 S   HC   _H5_    63     1.09886   106.71102   -62.83434
   54    48 S   CT   _C25    78     1.50281   112.69680  -149.99558
   55    54 S   HC   _H29    79     1.09302   110.30469   -90.08954
   56    54 S   HC   _H30    80     1.09311   110.27128   147.85121
   57    54 S   HC   _H31    81     1.09400   109.23021    28.91884
   58    50 S   CT   _C9_    47     1.52665   119.23142   -54.61546
   59    58 S   HC   _H14    48     1.09490   112.03958    78.77423
   60    58 S   HC   _H15    49     1.09635   111.50307   -41.89829
   61    33 S   CT   _C19    64     1.59743   111.27408   159.28193
   62    58 S   CT   _C8_    50     1.53936   104.02157  -160.85648
   63    62 S   HC   _H12    51     1.09554   110.82404   130.19095
   64    62 S   HC   _H13    52     1.09663   110.78091  -111.35167
   65    61 S   CT   _C20    65     1.55856   109.14144    60.66743
   66    65 S   HC   _H24    66     1.09611   110.29624   -69.21362
   67    65 S   HC   _H25    67     1.09666   110.25754   174.79290
   68    61 S   CT   _C26    82     1.56195   111.56915   178.25931
   69    68 S   HC   _H32    83     1.07813   108.05139    60.93371
   70    68 S   HC   _H33    84     1.07769   108.09307   -59.05923
   71    68 S   HC   _H34    85     1.07782   108.09347  -179.08871
   72    62 S   CT   _C7_    53     1.54135   106.22113     8.11058
   73    72 S   HC   _H3_    54     1.09802   109.30303   -96.91007
   74    65 S   CT   _C21    68     1.52878   114.01832    54.08686
   75    74 S   HC   _H26    69     1.09578   108.91904  -168.58164
   76    74 S   HC   _H27    70     1.09528   111.15406    73.72489
   77    50 S   CT   _C11    55     1.54180   112.72472  -176.21369
   78    74 S   CO4  _C22    71     1.51422   113.06654   -47.73166
   79    78 S   O    _O35    72     1.23113   119.80168  -138.45166
   80    72 S   OS   _O34    90     1.41473   111.75292   143.63166
   81    77 S   CT   _C12    56     1.53338   108.09220   -62.35029
   82    81 S   HC   _H16    57     1.09819   109.99774   -63.85538
   83    81 S   HC   _H17    58     1.09642   110.71315   179.01484
   84    77 S   CT   _C27    86     1.55023   114.69257    60.06821
   85    84 S   HC   _H35    87     1.08132   108.69307    58.26840
   86    84 S   HC   _H36    88     1.08189   108.64616   -61.69243
   87    84 S   HC   _H37    89     1.08074   108.65713   178.35028
   88    80 S   CO4  _C6_    91     1.37397   116.10691    90.22502
   89    88 S   O    _O33    92     1.22317   125.26916     0.03956
   90    81 S   CT   _C13    59     1.53968   111.58938    56.63046
   91    90 S   HC   _H18    60     1.09337   108.89689    71.07386
   92    90 S   HC   _H19    61     1.09630   107.41855  -174.10928
   93    88 S   CT   _C5_    93     1.51018   109.49126   179.96044
   94    93 S   HC   _H10    94     1.09540   108.47703   -59.92498
   95    93 S   HC   _H11    95     1.09541   108.45292    58.45648
   96    93 S   CT   _C4_    96     1.51850   112.12776   179.25087
   97    96 S   HC   _H7_    97     1.09504   111.05120   -59.66450
   98    96 S   HC   _H8_    98     1.09411   110.38050    60.37555
   99    96 S   HC   _H9_    99     1.09491   111.05103  -179.63256
  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
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   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
