COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.372   0.324   0.468  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.649   1.462  -0.516  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.620  -0.553   0.597  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.816   2.308  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.787   0.293   1.110  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.063   1.431   0.126  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.976  -1.137  -0.771  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.253   0.001  -1.755  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.006   0.878  -1.885  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.420   0.847  -1.242  1.00  0.00           C  
HETATM   11  O   UNL     1     -10.153   2.221   0.606  1.00  0.00           O  
HETATM   12  N   UNL     1      -5.255  -0.486  -0.024  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.354  -1.244  -0.182  1.00  0.00           C  
HETATM   14  C   UNL     1       0.963  -0.549   0.169  1.00  0.00           C  
HETATM   15  C   UNL     1       2.135  -1.384  -0.352  1.00  0.00           C  
HETATM   16  N   UNL     1       1.070  -0.410   1.627  1.00  0.00           N  
HETATM   17  N   UNL     1       3.400  -0.780   0.088  1.00  0.00           N  
HETATM   18  C   UNL     1       3.601   0.534  -0.538  1.00  0.00           C  
HETATM   19  C   UNL     1       4.966   1.061  -0.197  1.00  0.00           C  
HETATM   20  N   UNL     1       5.946   0.282   0.273  1.00  0.00           N  
HETATM   21  C   UNL     1       5.771  -1.144   0.531  1.00  0.00           C  
HETATM   22  C   UNL     1       4.538  -1.664  -0.210  1.00  0.00           C  
HETATM   23  C   UNL     1       4.222  -3.087   0.255  1.00  0.00           C  
HETATM   24  C   UNL     1       4.807  -1.664  -1.716  1.00  0.00           C  
HETATM   25  C   UNL     1       7.196   0.859   0.527  1.00  0.00           C  
HETATM   26  C   UNL     1       7.474   1.393   1.778  1.00  0.00           C  
HETATM   27  C   UNL     1       8.708   1.962   2.027  1.00  0.00           C  
HETATM   28  C   UNL     1       9.666   2.001   1.031  1.00  0.00           C  
HETATM   29  C   UNL     1       9.393   1.472  -0.217  1.00  0.00           C  
HETATM   30  C   UNL     1       8.163   0.895  -0.470  1.00  0.00           C  
HETATM   31  O   UNL     1       5.189   2.243  -0.354  1.00  0.00           O  
HETATM   32 CL   UNL     1       7.821   0.229  -2.037  1.00  0.00          Cl  
HETATM   33  C   UNL     1      -1.526  -0.409   0.338  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.841  -1.009  -0.162  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.987  -0.118   0.245  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.767   0.930   0.815  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.033  -2.398   0.450  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.385  -2.538   0.423  1.00  0.00           O  
HETATM   39  C   UNL     1      -2.939  -2.302   1.974  1.00  0.00           C  
HETATM   40  H   UNL     1      -6.118   0.740   1.443  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.761   2.087  -0.608  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.423  -1.364   1.298  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.562   2.724   0.972  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.013   3.119  -0.704  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.675  -0.332   1.203  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.533   0.709   2.085  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.145  -1.740  -1.137  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.865  -1.762  -0.679  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.507  -0.415  -2.730  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.203   1.689  -2.586  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.174   0.275  -2.250  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.309   0.222  -1.150  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.617   1.658  -1.943  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.979   1.729   0.712  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.428  -1.287  -0.543  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.433  -1.347  -1.264  1.00  0.00           H  
HETATM   57  H   UNL     1       0.987   0.438  -0.293  1.00  0.00           H  
HETATM   58  H   UNL     1       2.061  -2.398   0.041  1.00  0.00           H  
HETATM   59  H   UNL     1       2.105  -1.412  -1.441  1.00  0.00           H  
HETATM   60  H   UNL     1       1.050  -1.312   2.079  1.00  0.00           H  
HETATM   61  H   UNL     1       1.901   0.104   1.881  1.00  0.00           H  
HETATM   62  H   UNL     1       3.511   0.437  -1.620  1.00  0.00           H  
HETATM   63  H   UNL     1       2.845   1.229  -0.173  1.00  0.00           H  
HETATM   64  H   UNL     1       6.653  -1.685   0.189  1.00  0.00           H  
HETATM   65  H   UNL     1       5.644  -1.305   1.602  1.00  0.00           H  
HETATM   66  H   UNL     1       4.025  -3.083   1.327  1.00  0.00           H  
HETATM   67  H   UNL     1       3.343  -3.455  -0.274  1.00  0.00           H  
HETATM   68  H   UNL     1       5.072  -3.736   0.043  1.00  0.00           H  
HETATM   69  H   UNL     1       5.659  -2.309  -1.933  1.00  0.00           H  
HETATM   70  H   UNL     1       3.927  -2.035  -2.242  1.00  0.00           H  
HETATM   71  H   UNL     1       5.027  -0.649  -2.046  1.00  0.00           H  
HETATM   72  H   UNL     1       6.726   1.363   2.557  1.00  0.00           H  
HETATM   73  H   UNL     1       8.925   2.377   3.000  1.00  0.00           H  
HETATM   74  H   UNL     1      10.630   2.447   1.228  1.00  0.00           H  
HETATM   75  H   UNL     1      10.143   1.505  -0.993  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.517  -0.410   1.428  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.432   0.615  -0.025  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.813  -1.091  -1.248  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.013  -2.786   0.171  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.258  -3.069   0.080  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.319  -2.523   1.388  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.756  -1.687   2.351  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.006  -3.300   2.406  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.987  -1.849   2.251  1.00  0.00           H  
CONECT    1   12    2    3   40                                       
CONECT    2    9    1    4   41                                       
CONECT    3    1    7    5   42                                       
CONECT    4    2    6   43   44                                       
CONECT    5    3    6   45   46                                       
CONECT    6    4   10    5   11                                       
CONECT    7    8    3   47   48                                       
CONECT    8    9    7   10   49                                       
CONECT    9    2    8   50   51                                       
CONECT   10    8    6   52   53                                       
CONECT   11    6   54                                                 
CONECT   12   35    1   55                                            
CONECT   13   14   38   33   56                                       
CONECT   14   15   16   13   57                                       
CONECT   15   17   14   58   59                                       
CONECT   16   14   60   61                                            
CONECT   17   22   18   15                                            
CONECT   18   19   17   62   63                                       
CONECT   19   20   31   31   18                                       
CONECT   20   25   21   19                                            
CONECT   21   20   22   64   65                                       
CONECT   22   21   23   24   17                                       
CONECT   23   22   66   67   68                                       
CONECT   24   22   69   70   71                                       
CONECT   25   26   26   30   20                                       
CONECT   26   27   25   25   72                                       
CONECT   27   28   28   26   73                                       
CONECT   28   27   27   29   74                                       
CONECT   29   28   30   30   75                                       
CONECT   30   29   29   25   32                                       
CONECT   31   19   19                                                 
CONECT   32   30                                                      
CONECT   33   13   34   76   77                                       
CONECT   34   33   37   35   78                                       
CONECT   35   34   12   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   34   39   79   80                                       
CONECT   38   13   81                                                 
CONECT   39   37   82   83   84                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
