* LIGAND DATABASE FILE (OPLS2005)
*
001      99   102    196    321     595
    1     0 S   NP   _N1_     1    28.60098    95.12556   -21.57000
    2     1 S   H    _HN1     2     1.02777    89.72123   -70.77661
    3     1 S   H    _H1_     3     1.02963    87.07420    37.61237
    4     1 S   H    _H2_     4     1.02837    33.60092   164.94933
    5     1 S   CT   _CA1     5     1.50139   144.24829   159.28865
    6     5 S   HC   _HA1     6     1.09577   105.20383    62.46633
    7     5 S   CO3  _C1_     7     1.53788   112.44253   -57.65211
    8     7 S   O2Z  _O11     8     1.26354   114.99867   -41.82242
    9     7 S   O2Z  _O12     9     1.26243   114.92787   137.28468
   10     5 S   CT   _CB1    10     1.53096   107.41025  -179.65679
   11    10 S   HC   HB11    11     1.09822   109.26797   -50.89189
   12    10 S   HC   HB12    12     1.09820   110.41936    65.64431
   13    10 S   CT   _CG1    13     1.52994   112.71602  -172.04295
   14    13 S   HC   HG11    14     1.09610   110.36786   -64.66476
   15    13 S   HC   HG12    15     1.09651   110.03557    54.55654
   16    13 S   C    _CD1    16     1.51823   112.37537   174.85022
   17    16 S   O    _OE1    17     1.22710   123.29338    -3.97473
   18    16 S   N    _N2_    18     1.38596   111.55409   176.37123
   19    18 S   H    _HN2    19     1.01582   118.97210     1.22812
   20    18 S   CT1  _CA2    20     1.46205   123.52385  -178.85671
   21    20 S   HC   _HA2    21     1.09735   109.45051    -9.60374
   22    20 S   C    _C2_    22     1.53469   108.26291  -125.21851
   23    22 S   O    _O2_    23     1.23020   122.26091  -145.63248
   24    20 S   CT   _CB2    32     1.53646   111.36690   112.57240
   25    24 S   HC   HB21    33     1.09167   109.21084    56.19621
   26    24 S   HC   HB22    34     1.09354   109.55979   173.92407
   27    22 S   N    _N3_    24     1.38514   113.39785    41.73420
   28    27 S   H    _HN3    25     1.01519   118.90924    -0.63396
   29    24 S   S    _SG2    35     1.83221   111.06950   -66.94342
   30    27 S   CT   _CA3    26     1.45451   123.48137   175.16276
   31    30 S   HC   HA31    27     1.09521   109.27749    23.68339
   32    30 S   HC   HA32    28     1.09497   107.11237   140.68833
   33    29 S   CT   _C17    36     1.92114   104.16663   158.53799
   34    30 S   CO3  _C3_    29     1.52920   113.08148   -99.82547
   35    34 S   O2Z  _O31    30     1.26405   115.38831   -44.91556
   36    34 S   O2Z  _O32    31     1.26353   114.99410   136.01343
   37    33 S   CM   _C18    37     1.53555   100.80042   155.14057
   38    37 S   HC   _H19    38     1.08947   116.33008   -80.12802
   39    33 S   CT   _C5_    55     1.56966   111.16656    37.36467
   40    39 S   HC   _H3_    56     1.09619   108.29386   -62.43431
   41    37 S   CMA  _C19    39     1.35114   127.29806    98.24356
   42    41 S   OM   _O33    40     1.26236   129.20172   179.79252
   43    39 S   CT   _C4_    57     1.54343   116.00282    57.07556
   44    43 S   HC   _H8_    58     1.09494   111.93392    73.43261
   45    43 S   HC   _H9_    59     1.09119   113.33115   -48.68692
   46    43 S   HC   _H10    60     1.09645   109.79874  -168.18107
   47    41 S   CT   _C20    41     1.52260   119.69594    -0.60716
   48    47 S   HC   _H20    42     1.09969   109.07426   114.59144
   49    47 S   HC   _H21    43     1.10018   110.49716  -129.18917
   50    47 S   CT   _C21    44     1.53238   115.23447    -7.59507
   51    50 S   HC   _H22    45     1.09682   108.89335   163.05076
   52    50 S   HC   _H23    46     1.09764   108.43736   -83.91964
   53    33 S   CT   _C16    47     1.60473   112.97112   -88.37953
   54    53 S   CT   _C15    48     1.60123   109.92509   177.19272
   55    54 S   HC   _H7_    49     1.09888   106.54152    59.50727
   56    53 S   CT   _C22    96     1.54811   111.74576    53.63296
   57    56 S   HC   _H24    97     1.09270   112.46499    64.78273
   58    56 S   HC   _H25    98     1.09230   111.95413   -57.38650
   59    56 S   HC   _H26    99     1.09164   112.33304  -173.11462
   60    54 S   CT   _C7_    50     1.55444   112.48658   -54.12277
   61    60 S   HC   _H4_    51     1.09454   110.05128   -63.51790
   62    54 S   CT   _C14    74     1.56331   116.55872   174.08885
   63    62 S   HC   _H6_    75     1.09527   108.83020   -60.57940
   64    60 S   CT   _C6_    52     1.53307   110.34717    55.74667
   65    64 S   HC   _H11    53     1.09827   109.73206    67.19248
   66    64 S   HC   _H12    54     1.09764   108.92610  -176.99580
   67    60 S   CT   _C8_    61     1.54133   109.10384   175.89425
   68    67 S   HC   _H5_    62     1.10303   105.93680   -59.73720
   69    62 S   OH   _O34    76     1.41935   112.24466    57.07914
   70    69 S   HO   _H27    77     0.97230   107.78910  -173.17895
   71    67 S   CT   _C9_    63     1.52366   118.37848  -178.10845
   72    71 S   HC   _H13    64     1.09482   112.17444    76.05531
   73    71 S   HC   _H14    65     1.09587   111.42812   -44.64135
   74    71 S   CT   _C10    66     1.53940   104.25533  -163.83417
   75    74 S   HC   _H15    67     1.09521   108.47588   132.43866
   76    74 S   HC   _H16    68     1.09617   109.78766  -110.61459
   77    74 S   CT   _C11    69     1.55647   106.75955    10.31885
   78    67 S   CT   _C12    70     1.54673   114.43381    59.26975
   79    77 S   CO4  _C24    82     1.53873   112.84776   144.67591
   80    79 S   O    _O35    83     1.23283   121.54212    -3.88776
   81    77 S   OH   _O38    94     1.42810   107.95227   -98.44578
   82    81 S   HO   _H36    95     0.97291   108.26949   -55.55280
   83    78 S   CT   _C13    71     1.54476   106.29232   -61.13401
   84    83 S   HC   _H17    72     1.09701   110.10461   -64.55966
   85    83 S   HC   _H18    73     1.09463   109.92593   178.19789
   86    78 S   CT   _C23    78     1.55186   112.99760    61.29900
   87    86 S   HC   _H28    79     1.09513   112.46013    70.38027
   88    86 S   HC   _H29    80     1.09163   113.21306   -49.73818
   89    86 S   HC   _H30    81     1.09541   110.75290  -170.18428
   90    79 S   CT   _C25    84     1.52049   117.59818   175.92287
   91    90 S   HC   _H31    85     1.09259   108.80896    75.40474
   92    90 S   HC   _H32    86     1.09370   109.66494   -46.67210
   93    90 S   OS   _O36    87     1.43046   108.64296  -165.89732
   94    93 S   CO4  _C26    88     1.36259   115.23008  -178.33035
   95    94 S   O    _O37    89     1.22340   126.18583    -0.06256
   96    94 S   CT   _C27    90     1.49832   109.63417   179.93744
   97    96 S   HC   _H33    91     1.09289   109.83416   -60.92284
   98    96 S   HC   _H34    92     1.09380   109.35686  -179.96044
   99    96 S   HC   _H35    93     1.09289   109.83523    60.99436
  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  12   5   4   3
  26   2   1   1  14   5  16   9   8   4   8   3   2   1   8   5
   4  11   4   3  14  21   9   5   2   1   1  17   8  11   6   6
   2   1  18   8   5   1  11   6   5  11   5   4  16  12  10   5
   4   1   6   2   1   3   2   1   1   6   3   2   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    53    54    64    39    40    43    56  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    50    51    52    53    54    55    60    64    65    66    39    40    43    44    45    46    62    56    57    58    59  
   35    36  
   36  
    0  
   38    41    42    47    48    49    50    53    54    64    39    40    43    56  
   41    42    47    53    39  
   40    43    44    45    46    67    56    41    50    53    54    60    61    64    65    66  
   43    44    45    46    53    60    64    65    66  
   42    47    48    49    50    51    52    53  
   47    48    49    50  
   44    45    46    53    60    64    65    66  
   45    46    64  
   46    64  
   64  
   48    49    50    51    52    53    54    56  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53    54    55    60    62    56    57    58    59  
   52    53    54    56  
   53    54    56  
   54    55    60    61    64    67    83    62    63    69    56    57    58    59  
   55    60    61    64    65    66    67    68    71    78    83    84    85    62    63    69    70    56    57    58    59  
   60    61    64    67    83    62    63    69    56  
   57    58    59    60    62  
   58    59  
   59  
    0  
   61    64    65    66    67    68    71    72    73    74    77    78    83    62    63    69    86  
   64    65    66    67    68    71    78    62  
   63    69    70    86    64    67    77    78    83    84    85  
   69    70    78    83    84    85  
   65    66    67    68    71    78  
   66    67  
   67  
   68    71    72    73    74    75    76    77    78    83    84    85    86    87    88    89    79    81  
   71    72    73    74    77    78    83    86  
   70    78    83    84    85  
   83  
   72    73    74    75    76    77    78    83    86    79    81  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78    83    86    79    80    90    81    82  
   76    77    78    79    81  
   77    78    79    81  
   78    83    84    85    86    87    88    89    79    80    90    91    92    93    81    82  
   83    84    85    86    87    88    89    79    80    90    81    82  
   80    90    91    92    93    94    81    82    83    86  
   90    91    92    93    81  
   82    83    86    90  
    0  
   84    85    86    87    88    89  
   85    86  
   86  
   87    88    89  
   88    89  
   89  
    0  
   91    92    93    94    95    96  
   92    93    94  
   93    94  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   79   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   99   2.4200   0.0150   0.060000   1.3810   1.2100   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   317.000  1.510
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   268.000  1.529
   53    56   268.000  1.529
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   268.000  1.529
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    39   268.000  1.529
   39    40   340.000  1.090
   39    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    78   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   77    79   317.000  1.522
   77    81   320.000  1.410
   78    83   268.000  1.529
   78    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    62   268.000  1.529
   62    63   340.000  1.090
   62    69   320.000  1.410
   69    70   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   79    80   570.000  1.229
   79    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   214.000  1.327
   94    95   570.000  1.229
   94    96   317.000  1.522
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   81    82   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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  112.20000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    53    50    58.35000  112.70000
   33    53    54    58.35000  112.70000
   33    53    56    58.35000  112.70000
   33    39    64    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   37    41    42    65.00000  137.10300
   37    41    47    65.00000  122.18000
   41    37    38    40.00000  120.50800
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    53    54    58.35000  112.70000
   50    53    56    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    33    37    70.00000  112.02700
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    60    58.35000  112.70000
   53    54    62    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    62    83    58.35000  112.70000
   54    62    63    37.50000  110.70000
   54    62    69    50.00000  109.50000
   60    54    55    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    39    58.35000  112.70000
   60    67    68    37.50000  110.70000
   60    67    71    58.35000  112.70000
   60    67    78    58.35000  112.70000
   64    60    61    37.50000  110.70000
   64    39    40    37.50000  110.70000
   64    39    43    58.35000  112.70000
   66    64    65    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    53    58.35000  112.70000
   39    64    65    37.50000  110.70000
   39    64    66    37.50000  110.70000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   43    39    40    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    64    58.35000  112.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    58.35000  112.70000
   67    78    77    58.35000  112.70000
   67    78    83    58.35000  112.70000
   67    78    86    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   74    77    79    63.00000  111.10000
   74    77    81    50.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    83    58.35000  112.70000
   77    78    86    58.35000  112.70000
   77    79    80    80.00000  120.40000
   77    79    90    70.00000  116.00000
   77    81    82    55.00000  108.50000
   78    67    68    37.50000  110.70000
   78    67    71    58.35000  112.70000
   78    83    84    37.50000  110.70000
   78    83    85    37.50000  110.70000
   78    83    62    58.35000  112.70000
   78    86    87    37.50000  110.70000
   78    86    88    37.50000  110.70000
   78    86    89    37.50000  110.70000
   83    62    63    37.50000  110.70000
   83    62    69    50.00000  109.50000
   85    83    84    33.00000  107.80000
   62    54    55    37.50000  110.70000
   62    54    60    58.35000  112.70000
   62    83    84    37.50000  110.70000
   62    83    85    37.50000  110.70000
   62    69    70    55.00000  108.50000
   69    62    63    35.00000  109.50000
   86    78    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   79    77    78    63.00000  111.10000
   79    90    91    35.00000  109.50000
   79    90    92    35.00000  109.50000
   79    90    93    90.00000  108.74100
   90    79    80    80.00000  120.40000
   90    93    94    83.00000  116.90000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    83.00000  123.40000
   93    94    96    81.00000  111.40000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   96    94    95    80.00000  120.40000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   81    77    78    50.00000  109.50000
   81    77    79    90.00000  109.61100
   56    53    54    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
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
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   90    93    94    96   2.92000 -1.0 2.0
   91    90    93    94   0.08050  1.0 3.0
   92    90    93    94   0.08050  1.0 3.0
   93    94    96    97   0.00000  1.0 1.0
   93    94    96    98   0.00000  1.0 1.0
   93    94    96    99   0.00000  1.0 1.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.00000  1.0 1.0
   95    94    96    99   0.00000  1.0 1.0
   81    77    78    67   0.86500  1.0 1.0
   81    77    78    67  -0.17500 -1.0 2.0
   81    77    78    67   0.20800  1.0 3.0
   81    77    78    83   0.86500  1.0 1.0
   81    77    78    83  -0.17500 -1.0 2.0
   81    77    78    83   0.20800  1.0 3.0
   81    77    78    86   0.86500  1.0 1.0
   81    77    78    86  -0.17500 -1.0 2.0
   81    77    78    86   0.20800  1.0 3.0
   81    77    79    80   0.30150 -1.0 2.0
   81    77    79    90   0.55300  1.0 1.0
   81    77    79    90   1.25850 -1.0 2.0
   81    77    79    90  -0.23600  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    60   0.56750  1.0 1.0
   56    53    54    60  -0.07550 -1.0 2.0
   56    53    54    60   0.20000  1.0 3.0
   56    53    54    62   0.56750  1.0 1.0
   56    53    54    62  -0.07550 -1.0 2.0
   56    53    54    62   0.20000  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
   33    38    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   77    90    79    80  10.50000 -1.0 2.0
   93    96    94    95  10.50000 -1.0 2.0
END
