* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    196    325     590
    1     0 S   NP   _N1_     1    28.90330    96.33701   -24.09876
    2     1 S   H    _HN1     2     1.02789   110.49323   -91.63118
    3     1 S   H    _H1_     3     1.02948    70.73717    11.41446
    4     1 S   H    _H2_     4     1.02828    37.70461   175.35497
    5     1 S   CT   _CA1     5     1.50114   133.91800   111.57981
    6     5 S   HC   _HA1     6     1.09574   105.18221    95.18002
    7     5 S   CO3  _C1_     7     1.53774   112.46446   -25.04419
    8     7 S   O2Z  _O11     8     1.26372   115.01082   -42.79400
    9     7 S   O2Z  _O12     9     1.26238   114.93831   136.29955
   10     5 S   CT   _CB1    10     1.53072   107.41568  -146.85356
   11    10 S   HC   HB11    11     1.09836   109.34012   -49.68435
   12    10 S   HC   HB12    12     1.09812   110.46668    66.91187
   13    10 S   CT   _CG1    13     1.53006   112.62610  -170.64640
   14    13 S   HC   HG11    14     1.09577   110.67484   -66.49453
   15    13 S   HC   HG12    15     1.09671   109.74688    52.74654
   16    13 S   C    _CD1    16     1.51807   112.12641   173.19923
   17    16 S   O    _OE1    17     1.22746   123.24421     9.22445
   18    16 S   N    _N2_    18     1.38654   111.74618  -170.79991
   19    18 S   H    _HN2    19     1.01582   118.97730     1.32913
   20    18 S   CT1  _CA2    20     1.46191   123.35923   177.02566
   21    20 S   HC   _HA2    21     1.09743   109.28947     5.39855
   22    20 S   C    _C2_    22     1.53616   108.93617  -110.08553
   23    22 S   O    _O2_    23     1.23078   122.20999  -149.69098
   24    20 S   CT   _CB2    32     1.53295   111.58491   127.33349
   25    24 S   HC   HB21    33     1.09532   110.12248    56.50460
   26    24 S   HC   HB22    34     1.09516   110.08661   175.54574
   27    22 S   N    _N3_    24     1.38302   113.84096    37.86671
   28    27 S   H    _HN3    25     1.01562   119.60240    -3.38593
   29    24 S   S    _SG2    35     1.82864   111.44617   -64.86976
   30    27 S   CT   _CA3    26     1.45289   123.27490   177.08866
   31    30 S   HC   HA31    27     1.09548   107.52258   -64.45437
   32    30 S   HC   HA32    28     1.09556   107.98337    52.00090
   33    29 S   CT   _C18    36     1.86123    99.72951   179.62991
   34    33 S   HC   _H3_    37     1.09217   104.06029    26.28267
   35    30 S   CO3  _C3_    29     1.52974   114.03886   173.99113
   36    35 S   O2Z  _O31    30     1.26383   116.05946    -0.49889
   37    35 S   O2Z  _O32    31     1.26423   114.42169   179.55943
   38    33 S   CM   _C9_    38     1.50992   106.98136   -84.35988
   39    38 S   HC   _H41    39     1.08976   117.57749    37.30012
   40    38 S   CMA  _C10    40     1.34458   124.98303  -145.92101
   41    40 S   OM   _O28    41     1.25974   130.48205  -178.15443
   42    40 S   CM   _C8_    42     1.45406   118.14069     0.91064
   43    42 S   HC   _H40    43     1.09071   117.59547  -174.06955
   44    42 S   CM   _C11    44     1.34659   124.10891     9.16253
   45    44 S   CT   _C14    45     1.51348   119.21874   173.87996
   46    45 S   HC   _H42    46     1.09674   108.76982  -102.84471
   47    45 S   HC   _H43    47     1.09742   111.12345    12.85781
   48    45 S   CT   _C15    48     1.52280   113.94996   135.34085
   49    48 S   HC   _H44    49     1.09693   108.02907   169.11921
   50    48 S   HC   _H45    50     1.09658   109.51745   -76.18534
   51    48 S   CT   _C19    51     1.53988   112.63999    47.70376
   52    51 S   HC   _H51    52     1.09473   106.48184    65.15539
   53    51 S   CT   _C20    53     1.54164   110.86536  -177.96145
   54    53 S   HC   _H52    54     1.09925   106.59276    63.52888
   55    51 S   CT   _C26    67     1.57701   111.78809   -53.32519
   56    55 S   Cl   CL35    68     1.86810   107.07797   -59.84172
   57    53 S   CT   _C16    55     1.52434   118.37806   -53.98663
   58    57 S   HC   _H46    56     1.09644   111.09129   -42.31132
   59    57 S   HC   _H47    57     1.09545   111.27434    77.16271
   60    33 S   CT   _C23    69     1.60200   115.48398   145.83913
   61    57 S   CT   _C21    58     1.55153   104.73409  -161.04483
   62    61 S   HC   _H53    59     1.09766   106.40140   122.07251
   63    60 S   CT   _C28    70     1.55942   110.70844    31.92460
   64    63 S   HC   _H58    71     1.09004   114.13250   -60.87294
   65    63 S   HC   _H59    72     1.09385   113.05955   178.44985
   66    63 S   HC   _H60    73     1.09808   110.62638    59.21622
   67    61 S   CT   _C24    60     1.58035   106.54155     4.99763
   68    61 S   CT   _C27    97     1.52478   110.89415  -122.88013
   69    68 S   HC   _H55    98     1.09427   111.99923    60.81806
   70    68 S   HC   _H56    99     1.09589   110.21357   -58.46470
   71    68 S   HC   _H57   100     1.09345   111.02003  -176.96927
   72    53 S   CT   _C25    61     1.54781   114.10620  -176.55883
   73    67 S   CO4  _C13    80     1.55101   112.71994   144.21403
   74    73 S   O    _O30    81     1.23309   121.20043    -2.26607
   75    67 S   OS   _O35    86     1.45008   110.67572   -88.97965
   76    72 S   CT   _C17    62     1.54865   106.87119   -59.79077
   77    76 S   HC   _H48    63     1.09559   110.29601   -66.97901
   78    76 S   HC   _H49    64     1.09552   109.44683   176.56157
   79    72 S   CT   _C29    76     1.55536   113.00618    61.71617
   80    79 S   HC   _H61    77     1.09390   112.93575    69.41628
   81    79 S   HC   _H62    78     1.09142   113.19231   -50.72334
   82    79 S   HC   _H63    79     1.09538   110.77444  -170.84653
   83    73 S   CT   _C30    82     1.51555   117.56156  -179.92338
   84    83 S   Cl   CL36    83     1.77235   109.91099  -147.32718
   85    83 S   HC   _H64    84     1.09196   109.67030    93.29810
   86    83 S   HC   _H65    85     1.09101   111.29362   -28.52277
   87    75 S   CO4  _C12    87     1.36234   123.22928   -85.21160
   88    87 S   O    _O29    88     1.22312   125.75147    -0.97518
   89    76 S   CT   _C22    65     1.55018   113.70190    54.91498
   90    89 S   HC   _H54    66     1.09628   107.14604  -172.59424
   91    87 S   C5A  _C7_    89     1.43713   109.06898   179.28018
   92    89 S   OH   _O34    74     1.42169   108.03253    73.79839
   93    92 S   HO   _H66    75     0.97244   107.93250    62.44512
   94    91 S   C5BC _C5_    90     1.38273   132.91482    -0.69097
   95    94 S   HA   _H38    91     1.08114   126.29196    -0.04846
   96    94 S   C5BC _C4_    92     1.41524   106.69002  -179.97202
   97    96 S   HA   _H37    93     1.08049   127.60473   179.98022
   98    96 S   C5A  _C6_    94     1.37384   106.08855     0.01978
   99    98 S   HA   _H39    95     1.08035   133.80231   180.00000
  100    91 S   OA   _O33    96     1.36742   117.64603   179.33471
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  17   7   2   1   1   9   4   6   3   9   3  15  11   6   5  12
   5   4  18   8  22   9  15   6  14   6   5   8  14   8   4   2
   1   1  23   6   2   1   1  15   9   5   8  10   5   4   4   2
   1   1   3   2   1   1   7   3   3   2   7   1   1   6   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    60    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    55    60    63  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    51    89    55    56    60    63    64    65    66  
   38    39    40    44    55    60    63  
   36    37  
   37  
    0  
   39    40    41    42    43    44    55    60    63  
   40    41    42    60  
   41    42    43    44    45    60  
   42    43    44  
   43    44    45    46    47    48    55    60    63  
   44    45    60  
   45    46    47    48    49    50    51    89    55    56    60    63    64    65    66  
   46    47    48    49    50    51    52    53    55    60    63  
   47    48    49    50    51    60  
   48    49    50    51    60  
   49    50    51    52    53    54    57    72    89    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    72    76    89    90    55    56    60    63    92    79  
   53    54    57    72    89    55    56    60  
   54    57    58    59    61    62    67    72    76    77    78    89    55    56    60    79    80    81    82    73    75    68  
   57    58    59    61    67    72    76    55    79  
   56    60    63    64    65    66    92    93    57    72    76    77    78    89    90  
   60    63    92    76    89    90  
   58    59    61    62    67    72    76    79    73    75    68    69    70    71  
   59    61    62    67    72    68  
   61    62    67    72    68  
   63    64    65    66    92    76    89    90  
   62    67    72    76    79    73    74    83    75    87    68    69    70    71  
   67    72    73    75    68    69    70    71  
   64    65    66    89  
   65    66  
   66  
    0  
   72    76    77    78    89    79    80    81    82    73    74    83    84    85    86    75    87    88    91    68    69    70    71  
   69    70    71    72    73    75  
   70    71  
   71  
    0  
   76    77    78    89    90    92    79    80    81    82    73    74    83    75    87  
   74    83    84    85    86    75    87    76    79  
   83    84    85    86    75  
   87    88    91    94   100    76    79    83  
   77    78    89    90    92    93    79    80    81    82  
   78    89    90    92    79  
   89    90    92    79  
   80    81    82    89  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
   88    91    94    95    96    98   100  
   91    94   100  
   90    92    93  
   92    93  
   94    95    96    97    98    99   100  
   93  
    0  
   95    96    97    98    99   100  
   96    97    98   100  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.298000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.4000   0.3000  -0.200000   2.1950   1.9500   0.001000000   0.320982824
   85   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.103000   1.3810   1.2100   0.008598240   0.268726247
   87   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0700   0.008000   2.0020   1.7750   0.001000000  -0.843144165
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   96   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   97   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   98   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   99   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
  100   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    60   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   317.000  1.510
   44    60   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    72   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    67   268.000  1.529
   61    68   268.000  1.529
   67    72   268.000  1.529
   67    73   317.000  1.522
   67    75   320.000  1.410
   72    76   268.000  1.529
   72    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    89   268.000  1.529
   89    90   340.000  1.090
   89    55   268.000  1.529
   89    92   320.000  1.410
   55    56   245.000  1.781
   55    60   268.000  1.529
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   92    93   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   73    74   570.000  1.229
   73    83   317.000  1.522
   83    84   245.000  1.781
   83    85   340.000  1.090
   83    86   340.000  1.090
   75    87   214.000  1.327
   87    88   570.000  1.229
   87    91   335.000  1.450
   91    94   546.000  1.367
   91   100   340.000  1.360
   94    95   367.000  1.080
   94    96   469.000  1.424
   96    97   367.000  1.080
   96    98   546.000  1.367
   98    99   367.000  1.080
   98   100   340.000  1.360
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    60    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    60    44    70.00000  112.02700
   33    60    55    58.35000  112.70000
   33    60    63    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    70.00000  124.00000
   42    44    60    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    45    46    35.00000  109.50000
   44    45    47    35.00000  109.50000
   44    45    48    70.00000  112.02700
   44    60    55    70.00000  112.02700
   44    60    63    70.00000  112.02700
   45    48    49    37.50000  110.70000
   45    48    50    37.50000  110.70000
   45    48    51    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    53    58.35000  112.70000
   48    51    55    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    37.50000  110.70000
   51    48    50    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    57    58.35000  112.70000
   51    53    72    58.35000  112.70000
   51    55    89    58.35000  112.70000
   51    55    56    69.00000  109.80000
   51    55    60    58.35000  112.70000
   53    51    52    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    61    58.35000  112.70000
   53    72    67    58.35000  112.70000
   53    72    76    58.35000  112.70000
   53    72    79    58.35000  112.70000
   57    53    54    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    67    58.35000  112.70000
   57    61    68    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    72    58.35000  112.70000
   61    67    73    63.00000  111.10000
   61    67    75    50.00000  109.50000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   67    61    62    37.50000  110.70000
   67    72    76    58.35000  112.70000
   67    72    79    58.35000  112.70000
   67    73    74    80.00000  120.40000
   67    73    83    70.00000  116.00000
   67    75    87    83.00000  116.90000
   72    53    54    37.50000  110.70000
   72    53    57    58.35000  112.70000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    89    58.35000  112.70000
   72    79    80    37.50000  110.70000
   72    79    81    37.50000  110.70000
   72    79    82    37.50000  110.70000
   76    89    90    37.50000  110.70000
   76    89    55    58.35000  112.70000
   76    89    92    50.00000  109.50000
   78    76    77    33.00000  107.80000
   89    76    77    37.50000  110.70000
   89    76    78    37.50000  110.70000
   89    55    56    69.00000  109.80000
   89    55    60    58.35000  112.70000
   89    92    93    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    89    90    37.50000  110.70000
   55    60    63    58.35000  112.70000
   60    33    34    37.50000  110.70000
   60    33    38    70.00000  112.02700
   60    44    45    65.00000  117.92700
   60    55    56    69.00000  109.80000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    66    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   92    89    90    35.00000  109.50000
   92    89    55    50.00000  109.50000
   79    72    76    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   73    67    72    63.00000  111.10000
   73    83    84    70.00000  110.66000
   73    83    85    35.00000  109.50000
   73    83    86    35.00000  109.50000
   83    73    74    80.00000  120.40000
   85    83    84    51.00000  107.60000
   86    83    84    51.00000  107.60000
   86    83    85    33.00000  107.80000
   75    67    72    50.00000  109.50000
   75    67    73    90.00000  108.74100
   75    87    88    83.00000  123.40000
   75    87    91    81.00000  111.40000
   87    91    94    55.00000  130.80000
   87    91   100    80.00000  119.06000
   91    87    88    80.00000  122.40000
   91    94    95    35.00000  125.70000
   91    94    96    70.00000  107.30000
   91   100    98    70.00000  106.50000
   94    96    97    35.00000  127.50000
   94    96    98    70.00000  107.30000
   96    94    95    35.00000  127.50000
   96    98    99    35.00000  132.10000
   96    98   100    70.00000  110.60000
   98    96    97    35.00000  125.70000
  100    91    94    70.00000  110.60000
  100    98    99    35.00000  113.40000
   68    61    62    37.50000  110.70000
   68    61    67    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
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
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   75    67    73    83   0.55300  1.0 1.0
   75    67    73    83   1.25850 -1.0 2.0
   75    67    73    83  -0.23600  1.0 3.0
   75    87    91    94   0.98750 -1.0 2.0
   75    87    91   100   0.56600 -1.0 2.0
   87    91    94    95   3.62500 -1.0 2.0
   87    91    94    96   3.62500 -1.0 2.0
   87    91   100    98   3.62500 -1.0 2.0
   88    87    91    94   1.05000 -1.0 2.0
   88    87    91   100   1.05000 -1.0 2.0
   91    94    96    97   3.62500 -1.0 2.0
   91    94   -96    98   3.62500 -1.0 2.0
   94    91  -100    98   3.62500 -1.0 2.0
   94    96    98    99   3.62500 -1.0 2.0
   94    96   -98   100   3.62500 -1.0 2.0
   95    94    96    97   3.62500 -1.0 2.0
   95    94    96    98   3.62500 -1.0 2.0
   96    98  -100    91   3.62500 -1.0 2.0
   97    96    98    99   3.62500 -1.0 2.0
   97    96    98   100   3.62500 -1.0 2.0
   99    98   100    91   3.62500 -1.0 2.0
  100    91    94    95   3.62500 -1.0 2.0
  100    91   -94    96   3.62500 -1.0 2.0
   68    61    67    72   0.56750  1.0 1.0
   68    61    67    72  -0.07550 -1.0 2.0
   68    61    67    72   0.20000  1.0 3.0
   68    61    67    73  -0.95700  1.0 1.0
   68    61    67    73  -0.18200 -1.0 2.0
   68    61    67    73   0.29450  1.0 3.0
   68    61    67    75   0.62750  1.0 1.0
   68    61    67    75  -0.30950 -1.0 2.0
   68    61    67    75   0.27300  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
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   45    60    44    42   1.10000 -1.0 2.0
   67    83    73    74  10.50000 -1.0 2.0
   75    91    87    88  10.50000 -1.0 2.0
   94   100    91    87   4.00000 -1.0 2.0
   96    95    94    91   1.10000 -1.0 2.0
   98    97    96    94   1.10000 -1.0 2.0
  100    99    98    96   1.10000 -1.0 2.0
END
