COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.113  -1.008  -1.980  1.00  0.00           C  
HETATM    2  C   UNL     1       3.573  -2.268  -1.240  1.00  0.00           C  
HETATM    3  C   UNL     1       5.027  -2.102  -0.821  1.00  0.00           C  
HETATM    4  C   UNL     1       5.297  -0.741  -0.241  1.00  0.00           C  
HETATM    5  C   UNL     1       6.538  -0.523   0.344  1.00  0.00           C  
HETATM    6  C   UNL     1       6.857   0.703   0.890  1.00  0.00           C  
HETATM    7 CL   UNL     1       8.418   0.960   1.605  1.00  0.00          Cl  
HETATM    8  C   UNL     1       5.927   1.726   0.865  1.00  0.00           C  
HETATM    9  C   UNL     1       4.691   1.513   0.286  1.00  0.00           C  
HETATM   10  C   UNL     1       4.378   0.285  -0.280  1.00  0.00           C  
HETATM   11  C   UNL     1       3.042   0.135  -0.961  1.00  0.00           C  
HETATM   12  C   UNL     1       1.962  -0.206   0.073  1.00  0.00           C  
HETATM   13  C   UNL     1       2.706   1.441  -1.675  1.00  0.00           C  
HETATM   14  O   UNL     1       1.489   1.348  -2.408  1.00  0.00           O  
HETATM   15  C   UNL     1       0.337   1.597  -1.730  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.416   2.726  -1.969  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.571   2.941  -1.237  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.968   2.036  -0.273  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.227   0.890  -0.044  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.073   0.657  -0.771  1.00  0.00           C  
HETATM   21  N   UNL     1       0.716  -0.453  -0.605  1.00  0.00           N  
HETATM   22  C   UNL     1       0.253  -1.763  -0.897  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.101  -2.605   0.328  1.00  0.00           C  
HETATM   24  C   UNL     1       0.969  -3.643   0.679  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.031  -4.765   0.392  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.081  -3.727  -0.004  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.317  -3.740   0.897  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.182  -2.738   1.906  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.543  -3.457   0.066  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.566  -2.839   0.600  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.792  -2.552  -0.228  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.437  -1.247   0.245  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.790  -0.121  -0.476  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.828   0.017  -1.934  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.154   0.776   0.340  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.161   0.634   1.544  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.445   1.944  -0.294  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.211   2.300   0.539  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.263   3.758   0.918  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.614   4.190   2.010  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.889   4.536   0.239  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.187   1.500   1.722  1.00  0.00           O  
HETATM   43  H   UNL     1       3.829  -0.759  -2.764  1.00  0.00           H  
HETATM   44  H   UNL     1       2.130  -1.176  -2.419  1.00  0.00           H  
HETATM   45  H   UNL     1       2.954  -2.417  -0.355  1.00  0.00           H  
HETATM   46  H   UNL     1       3.482  -3.131  -1.899  1.00  0.00           H  
HETATM   47  H   UNL     1       5.269  -2.859  -0.074  1.00  0.00           H  
HETATM   48  H   UNL     1       5.666  -2.248  -1.692  1.00  0.00           H  
HETATM   49  H   UNL     1       7.263  -1.324   0.371  1.00  0.00           H  
HETATM   50  H   UNL     1       6.165   2.687   1.297  1.00  0.00           H  
HETATM   51  H   UNL     1       3.962   2.309   0.274  1.00  0.00           H  
HETATM   52  H   UNL     1       2.257  -1.096   0.628  1.00  0.00           H  
HETATM   53  H   UNL     1       1.841   0.630   0.762  1.00  0.00           H  
HETATM   54  H   UNL     1       2.614   2.237  -0.935  1.00  0.00           H  
HETATM   55  H   UNL     1       3.516   1.689  -2.361  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.108   3.437  -2.721  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.165   3.823  -1.420  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.549   0.179   0.702  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.633  -1.683  -1.527  1.00  0.00           H  
HETATM   60  H   UNL     1       1.026  -2.284  -1.461  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.408  -1.999   1.180  1.00  0.00           H  
HETATM   62  H   UNL     1       1.816  -3.636  -0.008  1.00  0.00           H  
HETATM   63  H   UNL     1       1.279  -3.602   1.724  1.00  0.00           H  
HETATM   64  H   UNL     1       0.271  -5.406  -0.436  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.304  -5.334   1.281  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.338  -3.764  -1.065  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.414  -4.719   1.367  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.931  -2.689   2.516  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.573  -3.766  -0.969  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.534  -2.538   1.637  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.508  -2.458  -1.276  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.505  -3.369  -0.116  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.503  -1.262   0.021  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.288  -1.131   1.318  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.705   0.597  -2.221  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.927   0.527  -2.274  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.880  -0.971  -2.391  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.137   1.678  -1.305  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.118   2.801  -0.333  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.676   5.134   2.213  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.428   1.671   2.297  1.00  0.00           H  
CONECT    1   11    2   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3    4    2   47   48                                       
CONECT    4    5    5   10    3                                       
CONECT    5    6    4    4   49                                       
CONECT    6    7    8    8    5                                       
CONECT    7    6                                                      
CONECT    8    6    6    9   50                                       
CONECT    9    8   10   10   51                                       
CONECT   10    9    9    4   11                                       
CONECT   11   13   10    1   12                                       
CONECT   12   11   21   52   53                                       
CONECT   13   14   11   54   55                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   56                                       
CONECT   17   16   18   18   57                                       
CONECT   18   17   17   19   38                                       
CONECT   19   20   20   18   58                                       
CONECT   20   15   21   19   19                                       
CONECT   21   12   20   22                                            
CONECT   22   21   23   59   60                                       
CONECT   23   22   24   26   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   26   64   65                                       
CONECT   26   23   25   27   66                                       
CONECT   27   26   29   28   67                                       
CONECT   28   27   68                                                 
CONECT   29   27   30   30   69                                       
CONECT   30   29   29   31   70                                       
CONECT   31   32   30   71   72                                       
CONECT   32   33   31   73   74                                       
CONECT   33   35   32   34                                            
CONECT   34   33   75   76   77                                       
CONECT   35   37   36   36   33                                       
CONECT   36   35   35                                                 
CONECT   37   38   35   78   79                                       
CONECT   38   18   42   39   37                                       
CONECT   39   41   41   38   40                                       
CONECT   40   39   80                                                 
CONECT   41   39   39                                                 
CONECT   42   38   81                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   19                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   40                                                      
CONECT   81   42                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
