COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.871   2.570  -0.301  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.004   3.795  -0.462  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.764   3.502  -1.304  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.641   4.485   0.835  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.358   3.974   1.414  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.953   4.482   2.773  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.573   3.126   0.830  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.894   2.518  -0.514  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.700   1.266  -0.245  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.075   1.303  -0.127  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.757   0.199   0.135  1.00  0.00           N  
HETATM   12  C   UNL     1      -6.171  -0.992   0.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.925  -2.146   0.544  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.299  -3.350   0.667  1.00  0.00           C  
HETATM   15 CL   UNL     1      -7.238  -4.771   1.000  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -4.916  -3.458   0.530  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.153  -2.359   0.270  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.766  -1.106   0.140  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.016   0.065  -0.118  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.636   0.013  -0.243  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.245  -0.371  -1.606  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.746  -0.506  -1.679  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.147  -1.722  -1.412  1.00  0.00           C  
HETATM   24  C   UNL     1       1.229  -1.845  -1.479  1.00  0.00           C  
HETATM   25  C   UNL     1       0.030   0.587  -2.019  1.00  0.00           C  
HETATM   26  C   UNL     1       1.406   0.464  -2.086  1.00  0.00           C  
HETATM   27  C   UNL     1       2.005  -0.751  -1.813  1.00  0.00           C  
HETATM   28  C   UNL     1       3.504  -0.885  -1.886  1.00  0.00           C  
HETATM   29  C   UNL     1       4.103  -0.573  -0.539  1.00  0.00           C  
HETATM   30  O   UNL     1       3.383  -0.271   0.389  1.00  0.00           O  
HETATM   31  N   UNL     1       5.438  -0.629  -0.366  1.00  0.00           N  
HETATM   32  C   UNL     1       6.020  -0.326   0.944  1.00  0.00           C  
HETATM   33  C   UNL     1       7.519  -0.460   0.871  1.00  0.00           C  
HETATM   34  C   UNL     1       8.294   0.634   0.530  1.00  0.00           C  
HETATM   35  C   UNL     1       8.118  -1.674   1.150  1.00  0.00           C  
HETATM   36  C   UNL     1       9.493  -1.802   1.084  1.00  0.00           C  
HETATM   37  C   UNL     1      10.274  -0.712   0.739  1.00  0.00           C  
HETATM   38  O   UNL     1      11.627  -0.836   0.674  1.00  0.00           O  
HETATM   39  C   UNL     1       9.672   0.512   0.463  1.00  0.00           C  
HETATM   40  O   UNL     1      10.436   1.587   0.128  1.00  0.00           O  
HETATM   41  C   UNL     1       9.750   2.811  -0.142  1.00  0.00           C  
HETATM   42  H   UNL     1      -7.509   2.706   0.572  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.502   2.469  -1.183  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.589   4.512  -1.039  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.059   3.056  -2.254  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.211   4.425  -1.482  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.544   5.555   0.650  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.442   4.324   1.556  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.364   3.828   3.543  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.865   4.492   2.848  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.336   5.492   2.912  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.654   2.843   1.323  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.980   2.289  -1.061  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.997  -2.079   0.655  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.444  -4.424   0.630  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.083  -2.454   0.165  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.234  -0.612   0.439  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.708  -1.325  -1.861  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.576   0.393  -2.309  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.753  -2.577  -1.150  1.00  0.00           H  
HETATM   61  H   UNL     1       1.697  -2.796  -1.270  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.438   1.536  -2.233  1.00  0.00           H  
HETATM   63  H   UNL     1       2.012   1.317  -2.352  1.00  0.00           H  
HETATM   64  H   UNL     1       3.764  -1.905  -2.172  1.00  0.00           H  
HETATM   65  H   UNL     1       3.895  -0.189  -2.628  1.00  0.00           H  
HETATM   66  H   UNL     1       6.014  -0.870  -1.108  1.00  0.00           H  
HETATM   67  H   UNL     1       5.760   0.693   1.230  1.00  0.00           H  
HETATM   68  H   UNL     1       5.629  -1.022   1.686  1.00  0.00           H  
HETATM   69  H   UNL     1       7.824   1.583   0.317  1.00  0.00           H  
HETATM   70  H   UNL     1       7.510  -2.525   1.419  1.00  0.00           H  
HETATM   71  H   UNL     1       9.958  -2.752   1.303  1.00  0.00           H  
HETATM   72  H   UNL     1      11.957  -1.098  -0.197  1.00  0.00           H  
HETATM   73  H   UNL     1       9.064   2.667  -0.977  1.00  0.00           H  
HETATM   74  H   UNL     1       9.188   3.115   0.741  1.00  0.00           H  
HETATM   75  H   UNL     1      10.474   3.585  -0.396  1.00  0.00           H  
CONECT    1    2   10   42   43                                       
CONECT    2    3    1    4   44                                       
CONECT    3    8    2   45   46                                       
CONECT    4    2    5   47   48                                       
CONECT    5    7    7    4    6                                       
CONECT    6    5   49   50   51                                       
CONECT    7    8    5    5   52                                       
CONECT    8    3    7    9   53                                       
CONECT    9    8   19   19   10                                       
CONECT   10    9    1   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   18   11   13   13                                       
CONECT   13   12   12   14   54                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14                                                      
CONECT   16   17   14   14   55                                       
CONECT   17   18   18   16   56                                       
CONECT   18   19   17   17   12                                       
CONECT   19   20    9    9   18                                       
CONECT   20   21   19   57                                            
CONECT   21   22   20   58   59                                       
CONECT   22   21   25   25   23                                       
CONECT   23   22   24   24   60                                       
CONECT   24   23   23   27   61                                       
CONECT   25   22   22   26   62                                       
CONECT   26   25   27   27   63                                       
CONECT   27   26   26   24   28                                       
CONECT   28   27   29   64   65                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   66                                            
CONECT   32   31   33   67   68                                       
CONECT   33   35   32   34   34                                       
CONECT   34   33   33   39   69                                       
CONECT   35   36   36   33   70                                       
CONECT   36   35   35   37   71                                       
CONECT   37   36   38   39   39                                       
CONECT   38   37   72                                                 
CONECT   39   37   37   34   40                                       
CONECT   40   39   41                                                 
CONECT   41   40   73   74   75                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   38                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
