* LIGAND DATABASE FILE (OPLS2005)
*
001      99   104    198    327     590
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02099   104.50595     5.64261
    3     1 S   H    _H1_     3     1.02133    44.56968   107.73304
    4     1 S   H    _H2_     4     1.02157    68.41091   -99.04552
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C26    36     1.87252    96.56964  -178.15602
   34    33 S   HC   _H7_    37     1.09733   104.66656    32.59249
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C25    38     1.51884   102.03410   -79.98430
   39    38 S   HC   _H23    39     1.08948   119.18877    -7.77721
   40    33 S   CT   _C9_    81     1.60930   116.56964   151.51208
   41    38 S   CM   _C24    40     1.33420   125.41624   169.25574
   42    40 S   CT   _C29    82     1.54739   107.70702    58.01767
   43    42 S   HC   _H31    83     1.08184   108.75812  -179.97202
   44    42 S   HC   _H32    84     1.08185   108.83370    60.02060
   45    42 S   HC   _H33    85     1.08215   108.79846   -60.08344
   46    41 S   OS   _O38    41     1.36186   121.89031     4.03988
   47    41 S   OH   _O39    98     1.37950   120.09188  -175.41174
   48    47 S   HO   _H24    99     0.96210   109.89280    -0.01978
   49    46 S   CT   _C23    42     1.44178   114.39260    70.02204
   50    49 S   CT   _C10    43     1.57628   109.84512   -87.92348
   51    50 S   HC   _H4_    44     1.10305   103.54022   -52.15136
   52    49 S   CT   _C27    90     1.54375   114.05467    42.46686
   53    52 S   HC   _H25    91     1.08296   109.02904    52.04776
   54    52 S   HC   _H26    92     1.08346   108.98156   -67.87023
   55    52 S   HC   _H27    93     1.08295   109.05002   172.08845
   56    49 S   CT   _C28    94     1.55436   100.66065   155.01339
   57    56 S   HC   _H28    95     1.07984   108.48119   -63.76508
   58    56 S   HC   _H29    96     1.07997   108.47431   176.26933
   59    56 S   HC   _H30    97     1.08006   108.45189    56.20295
   60    50 S   CT   _C11    45     1.53562   110.17724  -165.67792
   61    60 S   HC   _H15    46     1.09434   110.48899    46.41603
   62    60 S   HC   _H16    47     1.09164   112.89843   -72.18489
   63    60 S   CO4  _C12    48     1.50342   113.98979   163.44092
   64    63 S   O    _O33    49     1.23399   117.71084  -142.82425
   65    63 S   CT   _C13    50     1.53188   118.86681    46.86786
   66    65 S   CT   _C8_    51     1.57588   110.77087   -35.53897
   67    66 S   HC   _H3_    52     1.09674   103.88771   -69.72308
   68    65 S   CT   _C22    86     1.55729   103.50861    84.75449
   69    68 S   HC   _H20    87     1.07858   108.32047   179.98022
   70    68 S   HC   _H21    88     1.07923   108.32357    60.02807
   71    68 S   HC   _H22    89     1.07881   108.36447   -59.96109
   72    66 S   CT   _C7_    53     1.55237   109.44859   178.69284
   73    72 S   HC   _H13    54     1.09402   111.27355   -94.17569
   74    72 S   HC   _H14    55     1.09359   107.81794   147.45397
   75    72 S   CT   _C6_    56     1.53384   117.17637    29.49545
   76    75 S   HC   _H11    57     1.09797   108.02417   153.27976
   77    75 S   HC   _H12    58     1.09612   109.66116   -92.99840
   78    75 S   CT   _C5_    59     1.53154   113.36125    29.93266
   79    78 S   CT   _C17    60     1.57141   111.49969  -175.67174
   80    79 S   HC   _H6_    61     1.09720   110.82263    61.79874
   81    78 S   CT   _C4_    77     1.55617   109.98092    64.01562
   82    81 S   HC   _H8_    78     1.07840   108.40302  -179.94405
   83    81 S   HC   _H9_    79     1.07864   108.36129    59.96256
   84    81 S   HC   _H10    80     1.08022   108.34349   -59.95722
   85    79 S   C5BC _C18    62     1.48496   113.72955   -57.44563
   86    79 S   OS   _O36    70     1.46042   110.63462  -179.92598
   87    85 S   C5BC _C19    63     1.41558   127.04840   -88.04430
   88    87 S   HA   _H17    64     1.08137   127.74670     0.03426
   89    86 S   CO4  _C16    71     1.36716   122.19150   -39.26852
   90    89 S   O    _O35    72     1.22497   122.42986  -179.46992
   91    87 S   C5A  _C20    65     1.37484   106.18009   180.00000
   92    91 S   HA   _H18    66     1.08025   133.83812  -179.92087
   93    89 S   C3T  _C15    73     1.48367   117.14706     0.49850
   94    93 S   HC   _H5_    74     1.07928   114.30220   169.84036
   95    91 S   OA   _O37    67     1.35935   110.54210    -0.01978
   96    65 S   C3T  _C14    75     1.59256   112.32250  -157.18016
   97    85 S   C5A  _C21    68     1.37554   126.89612    91.97754
   98    97 S   HA   _H19    69     1.08134   133.85751    -0.01978
   99    93 S   O3T  _O34    76     1.41415   111.05490   -50.71229
  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
  19   7   2   1   1  10   4  24   7  11   4   3   2  14   2   1
  15  18   7   8   3   2   1   4   2   1   1   8   4   3  13   4
  18  15   6   8   3   2   1   9   5   4  14   5   4  15  18   7
   8   3   2   1  10   8   6   4   5   4   4   2   3   2   2   1
   1   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    41    50    66    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    46    49    50    51    60    65    66    67    72    40    42    43    44    45    47  
   38    39    41    50    66    40    42  
   36    37  
   37  
    0  
   39    41    46    49    50    66    40    42    47    48  
   41    46    40    47  
   42    43    44    45    68    52    56    41    46    49    50    51    60    61    62    63    65    66    67    72    73    74    75    96  
   46    49    50    52    56    47    48  
   43    44    45    49    50    51    60    65    66    67    72  
   44    45    50    66  
   45    50    66  
   50    66  
   49    50    51    60    52    53    54    55    56    57    58    59    47    48  
   48    49  
    0  
   50    51    60    61    62    63    66    52    53    54    55    56    57    58    59  
   51    60    61    62    63    64    65    66    67    72    52    53    54    55    56    57    58    59  
   60    61    62    63    66    52    56  
   53    54    55    56    57    58    59    60  
   54    55    56  
   55    56  
   56  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    96    68  
   62    63    64    65  
   63    64    65  
   64    65    66    67    72    78    93    96    99    68    69    70    71  
   65    66    96    68  
   66    67    72    73    74    75    78    79    89    93    94    96    99    81    68    69    70    71  
   67    72    73    74    75    76    77    78    93    96    99    68    69    70    71  
   72    73    74    75    96    68  
   69    70    71    72    78    93    96    99  
   70    71    96  
   71    96  
   96  
   73    74    75    76    77    78    79    96    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    85    86    93    96    99    81    82    83    84  
   77    78    79    96    81  
   78    79    96    81  
   79    80    85    87    97    86    89    93    94    96    99    81    82    83    84  
   80    85    87    88    91    95    97    98    86    89    90    93    96    99    81    82    83    84  
   85    87    97    86    89    96    81  
   82    83    84    85    86    93    96    99  
   83    84    96  
   84    96  
   96  
   87    88    91    92    95    97    98    86    89    96  
   89    90    93    94    96    99    87    97  
   88    91    92    95    97    98  
   91    92    95    97  
   90    93    94    96    99  
   93    94    96    99  
   92    95    97    98  
   95    97  
   94    96    99  
   96    99  
   97    98  
   99  
   98  
    0  
    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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   92   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   93   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   96   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   98   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   99   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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    41   549.000  1.340
   41    46   440.000  1.360
   41    47   510.000  1.338
   46    49   320.000  1.410
   49    50   268.000  1.529
   49    52   268.000  1.529
   49    56   268.000  1.529
   50    51   340.000  1.090
   50    60   268.000  1.529
   50    40   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   317.000  1.522
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    96   275.000  1.510
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    40   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   268.000  1.529
   78    96   275.000  1.510
   78    81   268.000  1.529
   79    80   340.000  1.090
   79    85   285.000  1.502
   79    86   320.000  1.410
   85    87   469.000  1.424
   85    97   546.000  1.367
   87    88   367.000  1.080
   87    91   546.000  1.367
   91    92   367.000  1.080
   91    95   340.000  1.360
   95    97   340.000  1.360
   97    98   367.000  1.080
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    93   290.000  1.496
   93    94   340.000  1.088
   93    96   260.000  1.509
   93    99   335.000  1.432
   96    99   335.000  1.432
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   40    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   47    48   553.000  0.945
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    41    70.00000  124.00000
   33    40    50    58.35000  112.70000
   33    40    66    58.35000  112.70000
   33    40    42    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    46    80.00000  120.01400
   38    41    47    80.00000  121.38400
   41    38    39    35.00000  120.00000
   41    46    49    90.00000  111.18400
   41    47    48    70.00000  107.45700
   46    49    50    50.00000  109.50000
   46    49    52    50.00000  109.50000
   46    49    56    50.00000  109.50000
   49    50    51    37.50000  110.70000
   49    50    60    58.35000  112.70000
   49    50    40    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   49    56    57    37.50000  110.70000
   49    56    58    37.50000  110.70000
   49    56    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    62    37.50000  110.70000
   50    60    63    63.00000  111.10000
   50    40    66    58.35000  112.70000
   50    40    42    58.35000  112.70000
   60    50    51    37.50000  110.70000
   60    63    64    80.00000  120.40000
   60    63    65    70.00000  116.00000
   62    60    61    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    35.00000  109.50000
   63    65    66    63.00000  111.10000
   63    65    96    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    72    58.35000  112.70000
   65    66    40    58.35000  112.70000
   65    96    78    58.35000  112.70000
   65    96    93    60.00000  120.94000
   65    96    99    80.00000  116.47100
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   66    40    42    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    58.35000  112.70000
   75    78    96    70.00000  112.37300
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    79    80    37.50000  110.70000
   78    79    85    70.00000  112.17500
   78    79    86    50.00000  109.50000
   78    96    93    60.00000  120.94000
   78    96    99    80.00000  116.47100
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    37.50000  110.70000
   79    85    87    60.00000  130.00000
   79    85    97    60.00000  130.00000
   79    86    89    83.00000  116.90000
   85    79    80    35.00000  109.50000
   85    87    88    35.00000  127.50000
   85    87    91    70.00000  107.30000
   85    97    95    70.00000  110.60000
   85    97    98    35.00000  132.10000
   87    91    92    35.00000  132.10000
   87    91    95    70.00000  110.60000
   91    87    88    35.00000  125.70000
   91    95    97    70.00000  106.50000
   95    91    92    35.00000  113.40000
   95    97    98    35.00000  113.40000
   97    85    87    70.00000  107.30000
   86    79    80    35.00000  109.50000
   86    79    85    85.00000  111.85700
   86    89    90    83.00000  123.40000
   86    89    93    81.00000  111.40000
   89    93    94    40.00000  116.18000
   89    93    96    65.00000  117.18000
   89    93    99    80.00000  114.91000
   93    89    90    75.00000  121.36600
   93    96    99    15.00000   60.43100
   93    99    96    15.00000   59.14900
   96    65    66    70.00000  112.37300
   96    78    79    70.00000  112.37300
   96    93    94    37.50000  117.20000
   99    93    94    50.00000  114.27700
   99    93    96    15.00000   60.43100
   81    78    79    58.35000  112.70000
   81    78    96    70.00000  112.37300
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    50    51    37.50000  110.70000
   40    50    60    58.35000  112.70000
   40    66    67    37.50000  110.70000
   40    66    72    58.35000  112.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   68    65    66    58.35000  112.70000
   68    65    96    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   52    49    50    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    49    50    58.35000  112.70000
   56    49    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   47    41    46   115.00000  116.36000
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
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   68    65    66    67   0.15000  1.0 3.0
   68    65    66    72   0.56750  1.0 1.0
   68    65    66    72  -0.07550 -1.0 2.0
   68    65    66    72   0.20000  1.0 3.0
   68    65    66    40   0.56750  1.0 1.0
   68    65    66    40  -0.07550 -1.0 2.0
   68    65    66    40   0.20000  1.0 3.0
   68    65    96    78   0.56750  1.0 1.0
   68    65    96    78  -0.07550 -1.0 2.0
   68    65    96    78   0.20000  1.0 3.0
   68    65    96    93   0.07850  1.0 1.0
   68    65    96    93  -0.03950 -1.0 2.0
   68    65    96    93   0.67350  1.0 3.0
   68    65    96    99   0.02550  1.0 1.0
   68    65    96    99  -0.02600 -1.0 2.0
   68    65    96    99   1.20400  1.0 3.0
   52    49    50    51   0.15000  1.0 3.0
   52    49    50    60   0.56750  1.0 1.0
   52    49    50    60  -0.07550 -1.0 2.0
   52    49    50    60   0.20000  1.0 3.0
   52    49    50    40   0.56750  1.0 1.0
   52    49    50    40  -0.07550 -1.0 2.0
   52    49    50    40   0.20000  1.0 3.0
   52    49    56    57   0.15000  1.0 3.0
   52    49    56    58   0.15000  1.0 3.0
   52    49    56    59   0.15000  1.0 3.0
   56    49    50    51   0.15000  1.0 3.0
   56    49    50    60   0.56750  1.0 1.0
   56    49    50    60  -0.07550 -1.0 2.0
   56    49    50    60   0.20000  1.0 3.0
   56    49    50    40   0.56750  1.0 1.0
   56    49    50    40  -0.07550 -1.0 2.0
   56    49    50    40   0.20000  1.0 3.0
   56    49    52    53   0.15000  1.0 3.0
   56    49    52    54   0.15000  1.0 3.0
   56    49    52    55   0.15000  1.0 3.0
   47    41    46    49   2.00000 -1.0 2.0
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    41   1.10000 -1.0 2.0
   46    47    41    38   1.10000 -1.0 2.0
   60    65    63    64  10.50000 -1.0 2.0
   87    97    85    79   4.00000 -1.0 2.0
   91    88    87    85   1.10000 -1.0 2.0
   95    92    91    87   1.10000 -1.0 2.0
   95    98    97    85   1.10000 -1.0 2.0
   86    93    89    90  10.50000 -1.0 2.0
END
