* LIGAND DATABASE FILE (OPLS2005)
*
001     102   107    203    333     605
    1     0 S   NP   _N1_     1    28.96125    94.34864   -25.20413
    2     1 S   H    _HN1     2     1.02948    87.02339     0.03956
    3     1 S   H    _H1_     3     1.02828    20.09162   177.83843
    4     1 S   H    _H2_     4     1.02793   114.97201  -108.85679
    5     1 S   CT   _CA1     5     1.50127   120.42746   112.04634
    6     5 S   HC   _HA1     6     1.09574   105.16594    78.83541
    7     5 S   CO3  _C1_     7     1.53767   112.42171   -41.36402
    8     7 S   O2Z  _O11     8     1.26375   115.00479   -43.43491
    9     7 S   O2Z  _O12     9     1.26234   114.93849   135.55056
   10     5 S   CT   _CB1    10     1.53060   107.40392  -163.22358
   11    10 S   HC   HB11    11     1.09840   109.32337   -49.57430
   12    10 S   HC   HB12    12     1.09810   110.48370    67.01516
   13    10 S   CT   _CG1    13     1.53019   112.63615  -170.51753
   14    13 S   HC   HG11    14     1.09572   110.70792   -67.08024
   15    13 S   HC   HG12    15     1.09670   109.71956    52.16670
   16    13 S   C    _CD1    16     1.51816   112.02177   172.62201
   17    16 S   O    _OE1    17     1.22756   123.19082    11.20426
   18    16 S   N    _N2_    18     1.38643   111.81880  -168.81384
   19    18 S   H    _HN2    19     1.01580   119.02563     0.89744
   20    18 S   CT1  _CA2    20     1.46219   123.37001   176.66088
   21    20 S   HC   _HA2    21     1.09743   109.26025     6.71256
   22    20 S   C    _C2_    22     1.53664   108.90079  -108.77145
   23    22 S   O    _O2_    23     1.23083   122.22830  -149.39973
   24    20 S   CT   _CB2    32     1.53367   111.68205   128.65866
   25    24 S   HC   HB21    33     1.09494   109.84580    56.78343
   26    24 S   HC   HB22    34     1.09498   109.99201   175.86180
   27    22 S   N    _N3_    24     1.38315   113.87433    38.13102
   28    27 S   H    _HN3    25     1.01549   119.59793    -3.29836
   29    24 S   S    _SG2    35     1.82667   111.40695   -64.14543
   30    27 S   CT   _CA3    26     1.45280   123.27591   177.17846
   31    30 S   HC   HA31    27     1.09547   107.52036   -64.64276
   32    30 S   HC   HA32    28     1.09556   107.98758    51.81236
   33    29 S   CT   _C16    36     1.87498   100.11470  -168.03023
   34    33 S   HC   _H3_    37     1.09966   104.48573    48.26406
   35    30 S   CO3  _C3_    29     1.52973   114.04689   173.81477
   36    35 S   O2Z  _O31    30     1.26384   116.07629    -0.18557
   37    35 S   O2Z  _O32    31     1.26425   114.41916   179.86583
   38    33 S   CT   _C9_    38     1.57345   110.52528   -65.82003
   39    38 S   OM   _O25    39     1.32372   112.44712   -60.66580
   40    38 S   HC   _H41    40     1.10159   105.26833    67.19908
   41    33 S   CT   _C20    51     1.58703   114.31084   163.13389
   42    38 S   CT   _C12    41     1.54746   110.20384   177.90557
   43    42 S   HC   _H44    42     1.10089   104.42810   -72.33853
   44    41 S   CM   _C5_    52     1.55735   117.20006   -61.88238
   45    41 S   CT   _C23    93     1.56792   109.56863    56.56510
   46    45 S   HC   _H52    94     1.08919   113.59259    63.59615
   47    45 S   HC   _H53    95     1.09544   111.52133   -57.87776
   48    45 S   HC   _H54    96     1.09386   114.05913  -176.05971
   49    42 S   CT   _C22    43     1.53815   119.10774    44.81351
   50    44 S   CM   _C4_    53     1.34297   127.21165     6.03312
   51    50 S   HC   _H39    54     1.08004   124.22097    -5.66054
   52    42 S   OH   _O34   101     1.43137   111.10240   175.80110
   53    52 S   HO   _H64   102     0.97478   105.68540   -49.47404
   54    49 S   CO4  _C7_    44     1.52085   119.91237    73.97805
   55    54 S   O    _O27    45     1.22046   126.87324    35.29413
   56    50 S   CO4  _C6_    55     1.48063   119.85623   173.46184
   57    56 S   O    _O26    56     1.22667   120.31545   165.31325
   58    49 S   CT   _C24    97     1.55518   107.21660  -166.16469
   59    58 S   HC   _H55    98     1.09569   110.90664    66.52196
   60    58 S   HC   _H56    99     1.09630   111.12183   -53.44499
   61    58 S   HC   _H57   100     1.09464   113.41319  -172.06590
   62    54 S   OS   _O29    46     1.38761   109.04042  -147.46748
   63    56 S   OS   _O28    57     1.36286   117.63656   -16.64614
   64    62 S   CT   _C10    47     1.43980   109.00891    -1.16483
   65    64 S   HC   _H42    48     1.09596   107.23209   -91.56874
   66    63 S   CT   _C18    58     1.45955   122.01899     0.06561
   67    66 S   HC   _H50    59     1.09890   106.73430   -81.22007
   68    49 S   CT   _C8_    49     1.53193   112.23583   -42.27373
   69    68 S   HC   _H40    50     1.10027   109.43148   -76.94950
   70    44 S   C3T  _C21    60     1.48730   115.23048  -174.59158
   71    66 S   CT   _C27    64     1.54269   108.91576   162.85759
   72    71 S   HC   _H63    65     1.09650   109.36871  -175.58004
   73    64 S   C3T  _C11    61     1.49512   113.64549   150.46405
   74    73 S   HC   _H43    62     1.07926   114.25741    39.01671
   75    71 S   CT   _C25    66     1.53036   110.39374    64.84179
   76    75 S   HC   _H58    67     1.09543   111.28817   -64.53981
   77    75 S   HC   _H59    68     1.09425   110.96845   177.15091
   78    75 S   HC   _H60    69     1.09440   111.23107    56.95275
   79    71 S   OS1  _O39    70     1.43280   109.44696   -53.57180
   80    70 S   O3T  _O30    63     1.43749   121.48700    86.01788
   81    79 S   CO1  _C19    71     1.43357   113.93306  -138.77189
   82    81 S   HC   _H51    72     1.09806   108.20888    54.69906
   83    81 S   CT   _C15    73     1.53436   107.33465   173.41084
   84    83 S   HC   _H47    74     1.09679   109.95008    53.85746
   85    83 S   CT   _C13    75     1.53081   111.12718   175.69871
   86    85 S   HC   _H45    76     1.09669   110.18794    73.63283
   87    83 S   OH5  _O37    91     1.42915   110.28151   -62.99809
   88    87 S   HO   _H67    92     0.97223   108.28402   -54.38615
   89    85 S   CT   _C14    77     1.53201   111.34950   -49.06713
   90    89 S   HC   _H46    78     1.09705   109.04848   -71.48525
   91    85 S   OH5  _O35    89     1.42950   109.68285  -170.48750
   92    91 S   HO   _H65    90     0.97241   108.13614    60.09717
   93    89 S   CT   _C17    79     1.53222   110.67609    49.74103
   94    93 S   HC   _H49    80     1.09837   110.93688    64.27835
   95    89 S   OH5  _O36    87     1.42595   109.71519   171.66732
   96    95 S   HO   _H66    88     0.97253   108.21931   -57.57775
   97    81 S   OS1  _O33    81     1.42684   111.45626   -66.37963
   98    93 S   CT   _C26    82     1.52962   111.58768  -174.90330
   99    98 S   HC   _H61    83     1.09502   111.01285    69.39404
  100    98 S   HC   _H62    84     1.09396   111.56960   -53.04463
  101    98 S   OH5  _O38    85     1.42518   109.00009  -171.98308
  102   101 S   HO   _H68    86     0.97245   106.99960  -178.31368
  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  10   5   4   3
  19   8   2   1   1  13   6   5  21  14   6  20   9   3   2   1
  14   9   4   4   1  11   4   6   2   7   3   2   1   8   9   8
   6  13   7   5   1   7  12   6   2   1   5   3   2   1   8   1
  13   6  12   7  13   7   4   1  12   7   3   1   9   6   3   1
   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    68    41    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    49    64    68    69    41    44    50    70    45    46    47    48    52  
   38    39    40    42    68    41    44    45  
   36    37  
   37  
    0  
   39    40    42    43    49    54    68    41    44    45    58    52    53  
   40    42    43    49    41    52  
   42    43    49    41    52  
   44    50    51    56    66    70    73    80    45    46    47    48    58    42    49    54    62    64    65    68    69  
   43    49    54    55    62    64    68    69    58    59    60    61    52    53  
   49    54    68    58    52    53  
   50    51    56    57    63    66    67    70    73    74    80    71    45    46    47    48    49    64    68    69  
   46    47    48    49    50    64    68    69    70  
   47    48    68  
   48    68  
   68  
   54    55    62    64    65    68    69    73    58    59    60    61    52    53  
   51    56    57    63    66    70    73    80    68  
   56    57    63    70  
   53    54    58    68  
    0  
   55    62    64    65    68    69    73    58    59    60    61  
   62    64    68    58  
   57    63    66    67    70    71  
   63    66  
   59    60    61    62    64    68    69  
   60    61    68  
   61    68  
   68  
   64    65    68    69    70    73    74    80  
   66    67    70    73    80    71    72    75    79  
   65    68    69    66    70    73    74    80  
   68    69    70    73    74    80  
   67    70    73    74    80    71    72    75    76    77    78    79    81  
   70    73    80    71    72    75    79  
   69    70    73    74    80  
   73  
   73    74    80    71    72    75    79  
   72    75    76    77    78    79    81    82    83    97    73    80  
   75    76    77    78    79    81  
   74    80  
   80  
   76    77    78    79    81  
   77    78    79  
   78    79  
   79  
   81    82    83    84    85    93    97    87  
    0  
   82    83    84    85    86    89    93    94    97    98    91    87    88  
   83    84    85    93    97    87  
   84    85    86    89    90    93    97    95    91    92    87    88  
   85    86    89    97    91    87    88  
   86    89    90    93    94    97    98    95    96    91    92    87    88  
   89    90    93    95    91    92    87  
   88    89    91    97  
    0  
   90    93    94    97    98    99   100   101    95    96    91    92  
   93    94    97    98    95    96    91  
   92    93    95  
    0  
   94    97    98    99   100   101   102    95    96  
   97    98    99   100   101    95  
   96    97    98  
    0  
   98    99   100   101  
   99   100   101   102  
  100   101   102  
  101   102  
  102  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.159700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   80   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   98   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    41   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   320.000  1.410
   49    54   317.000  1.522
   49    68   268.000  1.529
   49    58   268.000  1.529
   54    55   570.000  1.229
   54    62   214.000  1.327
   62    64   320.000  1.410
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    73   275.000  1.510
   68    69   340.000  1.090
   68    41   268.000  1.529
   41    44   317.000  1.510
   41    45   268.000  1.529
   44    50   549.000  1.340
   44    70   305.000  1.480
   50    51   340.000  1.080
   50    56   320.000  1.462
   56    57   570.000  1.229
   56    63   214.000  1.327
   63    66   320.000  1.410
   66    67   340.000  1.090
   66    70   275.000  1.510
   66    71   268.000  1.529
   70    73   260.000  1.509
   70    80   335.000  1.432
   73    74   340.000  1.088
   73    80   335.000  1.432
   71    72   340.000  1.090
   71    75   268.000  1.529
   71    79   335.000  1.422
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    81   370.000  1.399
   81    82   360.000  1.097
   81    83   255.000  1.525
   81    97   370.000  1.399
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   355.000  1.421
   85    86   340.000  1.090
   85    89   268.000  1.529
   85    91   355.000  1.421
   89    90   340.000  1.090
   89    93   268.000  1.529
   89    95   355.000  1.421
   93    94   340.000  1.090
   93    97   335.000  1.422
   93    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   355.000  1.421
  101   102   580.000  0.967
   95    96   580.000  0.967
   91    92   580.000  0.967
   87    88   580.000  0.967
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   52    53   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    68    58.35000  112.70000
   33    41    44    70.00000  112.02700
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    52    50.00000  109.50000
   40    38    39    45.00000  125.66300
   42    38    39    50.00000  109.50000
   42    38    40    37.50000  110.70000
   42    49    54    63.00000  111.10000
   42    49    68    58.35000  112.70000
   42    49    58    58.35000  112.70000
   42    52    53    55.00000  108.50000
   49    42    43    37.50000  110.70000
   49    54    55    80.00000  120.40000
   49    54    62    81.00000  111.40000
   49    68    64    58.35000  112.70000
   49    68    69    37.50000  110.70000
   49    68    41    58.35000  112.70000
   49    58    59    37.50000  110.70000
   49    58    60    37.50000  110.70000
   49    58    61    37.50000  110.70000
   54    62    64    83.00000  116.90000
   62    54    55    83.00000  123.40000
   62    64    65    35.00000  109.50000
   62    64    68    50.00000  109.50000
   62    64    73    50.00000  109.50000
   64    68    69    37.50000  110.70000
   64    68    41    58.35000  112.70000
   64    73    70    60.00000  120.94000
   64    73    74    40.00000  115.04500
   64    73    80    80.00000  116.47100
   68    49    54    63.00000  111.10000
   68    64    65    37.50000  110.70000
   68    41    44    70.00000  112.02700
   68    41    45    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    44    50    70.00000  124.00000
   41    44    70    65.00000  117.92700
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   44    50    51    35.00000  120.00000
   44    50    56    65.00000  118.96000
   44    70    66    65.00000  117.55000
   44    70    73    60.00000  120.58800
   44    70    80    85.00000  114.23300
   50    56    57    80.00000  123.72100
   50    56    63    90.00000  111.29400
   56    50    51    40.00000  117.72500
   56    63    66    83.00000  116.90000
   63    56    57    83.00000  123.40000
   63    66    67    35.00000  109.50000
   63    66    70    50.00000  109.50000
   63    66    71    50.00000  109.50000
   66    70    73    60.00000  120.94000
   66    70    80    80.00000  116.47100
   66    71    72    37.50000  110.70000
   66    71    75    58.35000  112.70000
   66    71    79    95.00000  107.88500
   70    44    50    55.00000  125.06700
   70    66    67    45.00000  109.38400
   70    73    74    37.50000  117.20000
   70    73    80    15.00000   60.43100
   70    80    73    15.00000   59.14900
   73    64    65    45.00000  109.38400
   73    64    68    70.00000  112.37300
   80    70    73    15.00000   60.43100
   80    73    74    50.00000  114.27700
   71    66    67    37.50000  110.70000
   71    66    70    70.00000  112.37300
   71    75    76    37.50000  110.70000
   71    75    77    37.50000  110.70000
   71    75    78    37.50000  110.70000
   71    79    81    90.00000  112.10700
   75    71    72    37.50000  110.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    71    72    55.00000  108.98800
   79    71    75    95.00000  107.88500
   79    81    82    60.00000  105.75400
   79    81    83    90.00000  109.70700
   79    81    97   110.00000  113.16000
   81    83    84    45.00000  109.54000
   81    83    85    70.00000  111.10000
   81    83    87    90.00000  109.42000
   81    97    93    90.00000  112.10700
   83    81    82    45.00000  111.65000
   83    85    86    37.50000  110.70000
   83    85    89    58.35000  112.70000
   83    85    91    90.00000  111.45300
   83    87    88    65.00000  108.53500
   85    83    84    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    93    58.35000  112.70000
   85    89    95    90.00000  111.45300
   85    91    92    65.00000  108.53500
   89    85    86    37.50000  110.70000
   89    93    94    37.50000  110.70000
   89    93    97    95.00000  107.88500
   89    93    98    58.35000  112.70000
   89    95    96    65.00000  108.53500
   93    89    90    37.50000  110.70000
   93    98    99    37.50000  110.70000
   93    98   100    37.50000  110.70000
   93    98   101    90.00000  111.45300
   97    81    82    60.00000  105.75400
   97    81    83    90.00000  109.70700
   97    93    94    55.00000  108.98800
   98    93    94    37.50000  110.70000
   98    93    97    95.00000  107.88500
   98   101   102    65.00000  108.53500
  100    98    99    33.00000  107.80000
  101    98    99    60.00000  109.39000
  101    98   100    60.00000  109.39000
   95    89    90    60.00000  109.39000
   95    89    93    90.00000  111.45300
   91    85    86    60.00000  109.39000
   91    85    89    90.00000  111.45300
   87    83    84    60.00000  109.39000
   87    83    85    90.00000  111.45300
   45    41    44    70.00000  112.02700
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   58    49    54    63.00000  111.10000
   58    49    68    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   52    42    43    35.00000  109.50000
   52    42    49    50.00000  109.50000
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
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   84    83    85    86   0.15000  1.0 3.0
   84    83    85    89   0.15000  1.0 3.0
   84    83    85    91   0.23400  1.0 3.0
   84    83    87    88   0.19450  1.0 3.0
   85    83    87    88   0.29150  1.0 1.0
   85    83    87    88  -0.28350 -1.0 2.0
   85    83    87    88   0.43600  1.0 3.0
   85    89    93    94   0.15000  1.0 3.0
   85    89    93    97   0.62750  1.0 1.0
   85    89    93    97  -0.30950 -1.0 2.0
   85    89    93    97   0.27300  1.0 3.0
   85    89    93    98   0.56750  1.0 1.0
   85    89    93    98  -0.07550 -1.0 2.0
   85    89    93    98   0.20000  1.0 3.0
   85    89    95    96   0.29150  1.0 1.0
   85    89    95    96  -0.28350 -1.0 2.0
   85    89    95    96   0.43600  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    93   0.15000  1.0 3.0
   86    85    89    95   0.23400  1.0 3.0
   86    85    91    92   0.19450  1.0 3.0
   89    85    91    92   0.29150  1.0 1.0
   89    85    91    92  -0.28350 -1.0 2.0
   89    85    91    92   0.43600  1.0 3.0
   89    93   -97    81   0.06250  1.0 1.0
   89    93   -97    81  -0.01100 -1.0 2.0
   89    93   -97    81   0.28050  1.0 3.0
   89    93    98    99   0.15000  1.0 3.0
   89    93    98   100   0.15000  1.0 3.0
   89    93    98   101  -0.47750  1.0 1.0
   90    89    93    94   0.15000  1.0 3.0
   90    89    93    97   0.23400  1.0 3.0
   90    89    93    98   0.15000  1.0 3.0
   90    89    95    96   0.19450  1.0 3.0
   93    89    95    96   0.29150  1.0 1.0
   93    89    95    96  -0.28350 -1.0 2.0
   93    89    95    96   0.43600  1.0 3.0
   93    98   101   102   0.29150  1.0 1.0
   93    98   101   102  -0.28350 -1.0 2.0
   93    98   101   102   0.43600  1.0 3.0
   94    93    97    81   0.37050  1.0 3.0
   94    93    98    99   0.15000  1.0 3.0
   94    93    98   100   0.15000  1.0 3.0
   94    93    98   101   0.23400  1.0 3.0
   97    81    83    84   0.23400  1.0 3.0
   97    81   -83    85   0.62750  1.0 1.0
   97    81   -83    85  -0.30950 -1.0 2.0
   97    81   -83    85   0.27300  1.0 3.0
   97    81    83    87   1.51850  1.0 1.0
   97    93    98    99   0.23400  1.0 3.0
   97    93    98   100   0.23400  1.0 3.0
   97    93    98   101   1.51850  1.0 1.0
   98    93    97    81   0.06250  1.0 1.0
   98    93    97    81  -0.01100 -1.0 2.0
   98    93    97    81   0.28050  1.0 3.0
   99    98   101   102   0.19450  1.0 3.0
  100    98   101   102   0.19450  1.0 3.0
   95    89    93    94   0.23400  1.0 3.0
   95    89    93    97   1.51850  1.0 1.0
   95    89    93    98  -0.47750  1.0 1.0
   91    85    89    90   0.23400  1.0 3.0
   91    85    89    93  -0.47750  1.0 1.0
   91    85    89    95   3.77950  1.0 1.0
   87    83    85    86   0.23400  1.0 3.0
   87    83    85    89  -0.47750  1.0 1.0
   87    83    85    91   3.77950  1.0 1.0
   45    41    44    50   0.09850  1.0 1.0
   45    41    44    50   0.15250 -1.0 2.0
   45    41    44    50  -0.50650  1.0 3.0
   45    41    44    70   0.46850  1.0 1.0
   45    41    44    70   0.08550 -1.0 2.0
   45    41    44    70   0.09800  1.0 3.0
   58    49    54    55   0.30150 -1.0 2.0
   58    49    54    62   0.36750  1.0 3.0
   58    49    68    64   0.56750  1.0 1.0
   58    49    68    64  -0.07550 -1.0 2.0
   58    49    68    64   0.20000  1.0 3.0
   58    49    68    69   0.15000  1.0 3.0
   58    49    68    41   0.56750  1.0 1.0
   58    49    68    41  -0.07550 -1.0 2.0
   58    49    68    41   0.20000  1.0 3.0
   52    42    49    54  -0.09450  1.0 1.0
   52    42    49    54  -1.12950 -1.0 2.0
   52    42    49    54   0.54000  1.0 3.0
   52    42    49    68   0.86500  1.0 1.0
   52    42    49    68  -0.17500 -1.0 2.0
   52    42    49    68   0.20800  1.0 3.0
   52    42    49    58   0.86500  1.0 1.0
   52    42    49    58  -0.17500 -1.0 2.0
   52    42    49    58   0.20800  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
   37    30    35    36  10.50000 -1.0 2.0
   49    62    54    55  10.50000 -1.0 2.0
   41    70    44    50   1.10000 -1.0 2.0
   56    51    50    44   1.10000 -1.0 2.0
   50    63    56    57  10.50000 -1.0 2.0
END
