* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    198    318     595
    1     0 S   NP   _N1_     1    28.91954    97.28184   -19.55277
    2     1 S   H    _HN1     2     1.02770    75.45706   -61.23888
    3     1 S   H    _H1_     3     1.02965    87.81015    48.37180
    4     1 S   H    _H2_     4     1.02828    45.92362   164.75975
    5     1 S   CT   _CA1     5     1.50165   155.33039  -173.19484
    6     5 S   HC   _HA1     6     1.09587   105.14692    42.27994
    7     5 S   CO3  _C1_     7     1.53815   112.44636   -77.55398
    8     7 S   O2Z  _O11     8     1.26332   115.06094   -40.60226
    9     7 S   O2Z  _O12     9     1.26267   114.90323   138.30315
   10     5 S   CT   _CB1    10     1.53091   107.33917   159.92837
   11    10 S   HC   HB11    11     1.09814   109.14901   -52.01974
   12    10 S   HC   HB12    12     1.09791   110.40407    64.37872
   13    10 S   CT   _CG1    13     1.52961   112.78469  -173.26102
   14    13 S   HC   HG11    14     1.09541   110.18189   -64.65485
   15    13 S   HC   HG12    15     1.09644   110.12773    54.38265
   16    13 S   C    _CD1    16     1.51862   112.45430   174.45776
   17    16 S   O    _OE1    17     1.22722   123.25890   -10.96684
   18    16 S   N    _N2_    18     1.38589   111.61595   170.11612
   19    18 S   H    _HN2    19     1.01597   118.86191    -0.59774
   20    18 S   CT1  _CA2    20     1.46283   123.69583  -179.52153
   21    20 S   HC   _HA2    21     1.09740   109.33665   -17.27642
   22    20 S   C    _C2_    22     1.53457   108.01804  -132.82811
   23    22 S   O    _O2_    23     1.23005   122.33739  -145.40016
   24    20 S   CT   _CB2    32     1.53716   111.34865   105.17745
   25    24 S   HC   HB21    33     1.08962   108.91523    53.90158
   26    24 S   HC   HB22    34     1.09433   110.03956   171.50100
   27    22 S   N    _N3_    24     1.38541   113.28991    41.97026
   28    27 S   H    _HN3    25     1.01535   118.89457    -0.58584
   29    24 S   S    _SG2    35     1.82858   110.99201   -70.24731
   30    27 S   CT   _CA3    26     1.45445   123.43448   175.17444
   31    30 S   HC   HA31    27     1.09524   109.21011    24.80003
   32    30 S   HC   HA32    28     1.09495   107.12353   141.79211
   33    29 S   CT   _C22    36     1.91525   105.33186   147.98827
   34    30 S   CO3  _C3_    29     1.52925   113.15011   -98.66623
   35    34 S   O2Z  _O31    30     1.26401   115.42600   -44.25146
   36    34 S   O2Z  _O32    31     1.26359   114.97540   136.70503
   37    33 S   CT   _C14    37     1.54988   110.96247    36.56948
   38    37 S   HC   _H45    38     1.09349   112.16919   -60.57461
   39    37 S   HC   _H46    39     1.09693   109.43592  -175.37835
   40    33 S   CT   _C15    73     1.57003   107.99318   -87.76793
   41    40 S   HC   _H47    74     1.09251   108.57677  -174.97613
   42    37 S   CT   _C11    40     1.53232   114.14863    62.97328
   43    42 S   HC   _H39    41     1.09717   108.16421   175.01037
   44    42 S   HC   _H40    42     1.09497   110.18776   -69.84155
   45    40 S   S    _S30    75     1.83338   117.26114    68.45050
   46    42 S   CT   _C16    43     1.53349   113.42506    53.49591
   47    46 S   HC   _H48    44     1.09454   106.94896    69.38711
   48    45 S   CO4  _C6_    76     1.76408   101.12063   168.81780
   49    48 S   O    _O27    77     1.22499   123.01121   -22.09463
   50    46 S   CT   _C17    45     1.53323   111.39555  -172.34475
   51    50 S   HC   _H49    46     1.10318   106.61686    64.82868
   52    46 S   CT   _C18    62     1.56178   111.87773   -50.63466
   53    52 S   HC   _H50    63     1.09793   106.62619   -63.11618
   54    48 S   CT   _C23    78     1.50160   113.78955   160.28757
   55    54 S   HC   _H52    79     1.09310   110.71786   -48.79343
   56    54 S   HC   _H53    80     1.09406   109.24911  -167.60832
   57    54 S   HC   _H54    81     1.09324   109.85932    72.97169
   58    50 S   CT   _C9_    47     1.52585   119.20299   -54.83267
   59    58 S   HC   _H35    48     1.09477   112.00935    78.72565
   60    58 S   HC   _H36    49     1.09566   111.54019   -41.97125
   61    33 S   CT   _C20    64     1.61947   108.47501   155.15192
   62    58 S   CT   _C12    50     1.53939   103.99422  -160.95361
   63    62 S   HC   _H41    51     1.09578   110.78055   130.15215
   64    62 S   HC   _H42    52     1.09576   110.62816  -111.43508
   65    61 S   CT   _C8_    65     1.56148   109.77768    58.94152
   66    65 S   HC   _H33    66     1.09625   110.30469   -70.12278
   67    65 S   HC   _H34    67     1.09702   110.31286   173.89661
   68    61 S   CT   _C24    82     1.56464   112.08689   176.61181
   69    68 S   HC   _H55    83     1.09169   113.20465    60.47077
   70    68 S   HC   _H56    84     1.09227   113.11847   -60.77136
   71    68 S   HC   _H57    85     1.09469   111.26012  -178.96864
   72    62 S   CT   _C19    53     1.54488   106.38536     8.06660
   73    72 S   HC   _H51    54     1.09904   109.91772   -95.70597
   74    65 S   CT   _C7_    68     1.52814   114.11142    52.99623
   75    74 S   HC   _H31    69     1.09596   109.19151  -168.48888
   76    74 S   HC   _H32    70     1.09473   111.39905    73.53768
   77    50 S   CT   _C21    55     1.54088   112.74561  -176.36881
   78    74 S   CO4  _C4_    71     1.51284   112.33185   -47.74446
   79    78 S   O    _O25    72     1.23084   120.02886  -132.88601
   80    72 S   OS   _O28    90     1.43183   112.18895   142.19671
   81    77 S   CT   _C13    56     1.53417   108.13798   -62.23501
   82    81 S   HC   _H43    57     1.09781   110.04609   -63.83293
   83    81 S   HC   _H44    58     1.09663   110.68076   178.98028
   84    77 S   CT   _C25    86     1.55057   114.66731    60.12908
   85    84 S   HC   _H58    87     1.09453   112.47059    61.42999
   86    84 S   HC   _H59    88     1.09309   112.80545   -59.49428
   87    84 S   HC   _H60    89     1.09631   110.59773  -178.97779
   88    80 S   CO4  _C5_    91     1.36533   116.71277    76.15752
   89    88 S   O    _O26    92     1.22295   125.93753     0.21398
   90    81 S   CT   _C10    59     1.54053   111.55247    56.59109
   91    90 S   HC   _H37    60     1.09334   108.83870    71.00952
   92    90 S   HC   _H38    61     1.09570   107.40807  -174.18304
   93    88 S   CT   _C27    93     1.51041   108.81919  -179.78060
   94    93 S   HC   _H64    94     1.09512   108.45060   -59.43605
   95    93 S   HC   _H65    95     1.09515   108.44537    58.96494
   96    93 S   CT   _C26    96     1.51857   112.10053   179.74666
   97    96 S   HC   _H61    97     1.09509   111.04238   -59.92874
   98    96 S   HC   _H62    98     1.09508   111.04470    59.99616
   99    96 S   HC   _H63    99     1.09431   110.39167  -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
