* LIGAND DATABASE FILE (OPLS2005)
*
001     100   103    194    313     583
    1     0 S   NP   _N1_     1    28.99067    95.92147   -24.72793
    2     1 S   H    _HN1     2     1.02790   114.14191   -94.95654
    3     1 S   H    _H1_     3     1.02949    73.55861     8.20920
    4     1 S   H    _H2_     4     1.02829    33.97466   178.65114
    5     1 S   CT   _CA1     5     1.50114   129.03553   111.44794
    6     5 S   HC   _HA1     6     1.09574   105.18268    92.68548
    7     5 S   CO3  _C1_     7     1.53777   112.46136   -27.53939
    8     7 S   O2Z  _O11     8     1.26372   115.01133   -42.85025
    9     7 S   O2Z  _O12     9     1.26239   114.93816   136.24747
   10     5 S   CT   _CB1    10     1.53074   107.41969  -149.34670
   11    10 S   HC   HB11    11     1.09836   109.34647   -49.68923
   12    10 S   HC   HB12    12     1.09811   110.46527    66.90935
   13    10 S   CT   _CG1    13     1.53005   112.62095  -170.65353
   14    13 S   HC   HG11    14     1.09578   110.66870   -66.34473
   15    13 S   HC   HG12    15     1.09671   109.75218    52.89365
   16    13 S   C    _CD1    16     1.51806   112.14084   173.34958
   17    16 S   O    _OE1    17     1.22745   123.24942     8.91346
   18    16 S   N    _N2_    18     1.38651   111.73726  -171.11529
   19    18 S   H    _HN2    19     1.01582   118.97458     1.36602
   20    18 S   CT1  _CA2    20     1.46198   123.37242   177.14364
   21    20 S   HC   _HA2    21     1.09741   109.30247     5.19007
   22    20 S   C    _C2_    22     1.53608   108.85071  -110.30807
   23    22 S   O    _O2_    23     1.23072   122.23731  -149.18117
   24    20 S   CT   _CB2    32     1.53301   111.58669   127.13093
   25    24 S   HC   HB21    33     1.09528   110.08869    56.82221
   26    24 S   HC   HB22    34     1.09515   110.09204   175.81156
   27    22 S   N    _N3_    24     1.38312   113.81829    38.34325
   28    27 S   H    _HN3    25     1.01564   119.60340    -3.34199
   29    24 S   S    _SG2    35     1.82877   111.44414   -64.55361
   30    27 S   CT   _CA3    26     1.45291   123.26287   177.12683
   31    30 S   HC   HA31    27     1.09548   107.51852   -64.58093
   32    30 S   HC   HA32    28     1.09556   107.98573    51.87310
   33    29 S   CT   _C23    36     1.86123    99.65397   179.93744
   34    33 S   HC   _H7_    37     1.09651   105.64065    28.21971
   35    30 S   CO3  _C3_    29     1.52972   114.04470   173.86755
   36    35 S   O2Z  _O31    30     1.26381   116.05981    -0.44191
   37    35 S   O2Z  _O32    31     1.26423   114.42280   179.61692
   38    33 S   CM   _C22    38     1.51118   106.57709   -83.47007
   39    38 S   HC   _H22    39     1.08949   117.99485    34.63876
   40    38 S   CMA  _C21    40     1.34425   124.53050  -148.27461
   41    40 S   OM   _O36    41     1.25956   130.69712  -178.42579
   42    40 S   CM   _C20    42     1.45339   117.77197     0.08847
   43    42 S   HC   _H21    43     1.09057   117.64610  -171.19319
   44    42 S   CM   _C19    44     1.34688   123.90455    11.53405
   45    44 S   CT   _C18    45     1.50912   119.13287   174.59767
   46    45 S   HC   _H19    46     1.09641   109.32536  -106.22119
   47    45 S   HC   _H20    47     1.09714   111.34034    10.40342
   48    45 S   CT   _C17    48     1.51763   112.07779   132.04487
   49    48 S   HC   _H17    49     1.09635   108.39498   175.52285
   50    48 S   HC   _H18    50     1.09794   109.45030   -68.56176
   51    48 S   CT   _C16    51     1.53631   111.87162    53.85675
   52    51 S   HC   _H6_    52     1.09496   107.98482    63.24045
   53    51 S   CT   _C11    53     1.53849   109.60893  -177.43311
   54    53 S   HC   _H4_    54     1.10237   105.88272    62.49112
   55    51 S   CT   _C15    67     1.56410   110.44700   -56.78132
   56    55 S   F    F1__    68     1.38845   104.99071   -58.63767
   57    53 S   CT   _C10    55     1.52945   118.60227   -55.42817
   58    57 S   HC   _H13    56     1.09618   110.38855   -40.64141
   59    57 S   HC   _H14    57     1.09484   111.46334    79.30983
   60    33 S   CT   _C24    69     1.59661   115.08275   147.37713
   61    57 S   CT   _C9_    58     1.54577   104.74989  -158.74618
   62    61 S   HC   _H3_    59     1.09685   108.98774   122.71253
   63    60 S   CT   _C25    70     1.55222   112.20264    34.69642
   64    63 S   HC   _H23    71     1.09057   113.93713   -58.93223
   65    63 S   HC   _H24    72     1.09474   112.36527  -179.32885
   66    63 S   HC   _H25    73     1.09759   110.85594    61.16954
   67    61 S   CT   _C8_    60     1.56167   106.12547     2.66888
   68    61 S   OS   _O38    94     1.43912   111.75504  -116.98580
   69    53 S   CT   _C12    61     1.54648   113.85934  -178.63714
   70    67 S   CO4  _C7_    80     1.53819   112.35705   149.74499
   71    70 S   O    _O35    81     1.23271   121.52548   -24.49394
   72    67 S   OH   _O40    92     1.42720   109.11101   -90.75196
   73    72 S   HO   _H33    93     0.97366   107.57476   -46.22747
   74    68 S   CO4  _C27    95     1.36335   116.73488   -76.65032
   75    74 S   O    _O39    96     1.22312   126.36986     0.37062
   76    69 S   CT   _C13    62     1.54222   106.58294   -61.48299
   77    76 S   HC   _H15    63     1.09691   110.06268   -65.53758
   78    76 S   HC   _H16    64     1.09578   109.52499   177.33215
   79    69 S   CT   _C26    76     1.55154   113.37691    60.43097
   80    79 S   HC   _H27    77     1.09424   112.78512    66.49916
   81    79 S   HC   _H28    78     1.09143   113.21984   -53.55938
   82    79 S   HC   _H29    79     1.09606   110.49615  -173.75528
   83    70 S   CT   _C6_    82     1.52108   117.41355   156.49469
   84    83 S   HC   _H11    83     1.09189   109.43603    55.36109
   85    83 S   HC   _H12    84     1.09449   108.78581   -66.30307
   86    74 S   CT   _C28    97     1.49829   109.49811  -179.79158
   87    86 S   HC   _H30    98     1.09289   109.81578   -61.39738
   88    86 S   HC   _H31    99     1.09378   109.36376   179.52812
   89    86 S   HC   _H32   100     1.09291   109.83311    60.50658
   90    76 S   CT   _C14    65     1.54633   113.45877    55.16406
   91    90 S   HC   _H5_    66     1.09459   105.73517  -170.03737
   92    83 S   OS   _O34    85     1.42980   108.83889   174.74782
   93    90 S   OH   _O37    74     1.41897   109.05160    75.05549
   94    93 S   HO   _H26    75     0.97242   107.84025    61.03123
   95    92 S   CO4  _C5_    86     1.36250   115.27255  -179.52936
   96    95 S   O    _O33    87     1.22335   126.19017     0.00000
   97    95 S   CT   _C4_    88     1.49834   109.63228   180.00000
   98    97 S   HC   _H8_    89     1.09290   109.83381   -60.95648
   99    97 S   HC   _H9_    90     1.09380   109.35696  -180.00000
  100    97 S   HC   _H10    91     1.09290   109.83501    60.96014
  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  12   6   5   8  14   6   4   2
   1   1  19   9  15  10   5   4   1   5   4  10   5   4   4   2
   1   1   6   3   2   3   2   1   1   3   2   6   1   1   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    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    90    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    90    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    69    90    55    56    60  
   50    51    52    53    55  
   51    52    53    55  
   52    53    54    57    58    59    61    67    69    76    90    91    55    56    60    63    93    79  
   53    54    57    69    90    55    56    60  
   54    57    58    59    61    62    67    69    76    77    78    90    55    56    60    79    80    81    82    70    72    68  
   57    58    59    61    67    69    76    55    79  
   56    60    63    64    65    66    93    94    57    69    76    77    78    90    91  
   60    63    93    76    90    91  
   58    59    61    62    67    69    76    79    70    72    68    74  
   59    61    62    67    69    68  
   61    62    67    69    68  
   63    64    65    66    93    76    90    91  
   62    67    69    76    79    70    71    83    72    73    68    74    75    86  
   67    69    70    72    68    74  
   64    65    66    90  
   65    66  
   66  
    0  
   69    76    77    78    90    79    80    81    82    70    71    83    84    85    92    72    73    68    74  
   74    75    86    87    88    89    69    70    72  
   76    77    78    90    91    93    79    80    81    82    70    71    83    72    73  
   71    83    84    85    92    95    72    73    76    79  
   83    84    85    92    72  
   73    76    79    83  
    0  
   75    86    87    88    89  
   86    87    88    89  
   77    78    90    91    93    94    79    80    81    82  
   78    90    91    93    79  
   90    91    93    79  
   80    81    82    90  
   81    82  
   82  
    0  
   84    85    92    95    96    97  
   85    92    95  
   92    95  
   87    88    89  
   88    89  
   89  
    0  
   91    93    94  
   93    94  
   95    96    97    98    99   100  
   94  
    0  
   96    97    98    99   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   88   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   90   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   93   3.1200   0.1700  -0.683000   1.8380   1.6250   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
  100   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    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    69   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   320.000  1.410
   67    69   268.000  1.529
   67    70   317.000  1.522
   67    72   320.000  1.410
   69    76   268.000  1.529
   69    79   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    90   268.000  1.529
   90    91   340.000  1.090
   90    55   268.000  1.529
   90    93   320.000  1.410
   55    56   367.000  1.332
   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
   93    94   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   70    71   570.000  1.229
   70    83   317.000  1.522
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    92   320.000  1.410
   92    95   214.000  1.327
   95    96   570.000  1.229
   95    97   317.000  1.522
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   72    73   553.000  0.945
   68    74   214.000  1.327
   74    75   570.000  1.229
   74    86   317.000  1.522
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   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    69    58.35000  112.70000
   51    55    90    58.35000  112.70000
   51    55    56    50.00000  109.50000
   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    69    67    58.35000  112.70000
   53    69    76    58.35000  112.70000
   53    69    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    50.00000  109.50000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    67    69    58.35000  112.70000
   61    67    70    63.00000  111.10000
   61    67    72    50.00000  109.50000
   61    68    74    83.00000  116.90000
   67    61    62    37.50000  110.70000
   67    69    76    58.35000  112.70000
   67    69    79    58.35000  112.70000
   67    70    71    80.00000  120.40000
   67    70    83    70.00000  116.00000
   67    72    73    55.00000  108.50000
   69    53    54    37.50000  110.70000
   69    53    57    58.35000  112.70000
   69    76    77    37.50000  110.70000
   69    76    78    37.50000  110.70000
   69    76    90    58.35000  112.70000
   69    79    80    37.50000  110.70000
   69    79    81    37.50000  110.70000
   69    79    82    37.50000  110.70000
   76    90    91    37.50000  110.70000
   76    90    55    58.35000  112.70000
   76    90    93    50.00000  109.50000
   78    76    77    33.00000  107.80000
   90    76    77    37.50000  110.70000
   90    76    78    37.50000  110.70000
   90    55    56    50.00000  109.50000
   90    55    60    58.35000  112.70000
   90    93    94    55.00000  108.50000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   55    90    91    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    50.00000  109.50000
   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
   93    90    91    35.00000  109.50000
   93    90    55    50.00000  109.50000
   79    69    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
   70    67    69    63.00000  111.10000
   70    83    84    35.00000  109.50000
   70    83    85    35.00000  109.50000
   70    83    92    90.00000  108.74100
   83    70    71    80.00000  120.40000
   83    92    95    83.00000  116.90000
   85    83    84    33.00000  107.80000
   92    83    84    35.00000  109.50000
   92    83    85    35.00000  109.50000
   92    95    96    83.00000  123.40000
   92    95    97    81.00000  111.40000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   97    95    96    80.00000  120.40000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   72    67    69    50.00000  109.50000
   72    67    70    90.00000  109.61100
   68    61    62    35.00000  109.50000
   68    61    67    50.00000  109.50000
   68    74    75    83.00000  123.40000
   68    74    86    81.00000  111.40000
   74    86    87    35.00000  109.50000
   74    86    88    35.00000  109.50000
   74    86    89    35.00000  109.50000
   86    74    75    80.00000  120.40000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    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
   24    29    33    60   0.01700  1.0 1.0
   24    29    33    60  -0.23550 -1.0 2.0
   24    29    33    60   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
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   72    67    69    76   0.86500  1.0 1.0
   72    67    69    76  -0.17500 -1.0 2.0
   72    67    69    76   0.20800  1.0 3.0
   72    67    69    79   0.86500  1.0 1.0
   72    67    69    79  -0.17500 -1.0 2.0
   72    67    69    79   0.20800  1.0 3.0
   72    67    70    71   0.30150 -1.0 2.0
   72    67    70    83   0.55300  1.0 1.0
   72    67    70    83   1.25850 -1.0 2.0
   72    67    70    83  -0.23600  1.0 3.0
   68    61    67    69   0.62750  1.0 1.0
   68    61    67    69  -0.30950 -1.0 2.0
   68    61    67    69   0.27300  1.0 3.0
   68    61    67    70  -0.09450  1.0 1.0
   68    61    67    70  -1.12950 -1.0 2.0
   68    61    67    70   0.54000  1.0 3.0
   68    61    67    72   3.69350  1.0 1.0
   68    61    67    72  -1.82950 -1.0 2.0
   68    74    86    87   0.00000  1.0 1.0
   68    74    86    88   0.00000  1.0 1.0
   68    74    86    89   0.00000  1.0 1.0
   75    74    86    87   0.00000  1.0 1.0
   75    74    86    88   0.00000  1.0 1.0
   75    74    86    89   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    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    70    71  10.50000 -1.0 2.0
   92    97    95    96  10.50000 -1.0 2.0
   68    86    74    75  10.50000 -1.0 2.0
END
