COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.815  -3.263  -0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       3.537  -3.341   0.552  1.00  0.00           C  
HETATM    3  C   UNL     1       2.782  -2.228   0.755  1.00  0.00           C  
HETATM    4  C   UNL     1       3.295  -0.970   0.399  1.00  0.00           C  
HETATM    5  C   UNL     1       4.635  -0.884  -0.184  1.00  0.00           C  
HETATM    6  C   UNL     1       5.366  -2.075  -0.368  1.00  0.00           C  
HETATM    7  C   UNL     1       4.459   1.430  -0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       3.155   1.429   0.199  1.00  0.00           C  
HETATM    9  C   UNL     1       2.556   0.212   0.587  1.00  0.00           C  
HETATM   10  C   UNL     1       2.467   2.644   0.363  1.00  0.00           C  
HETATM   11  C   UNL     1       3.060   3.813  -0.017  1.00  0.00           C  
HETATM   12  C   UNL     1       3.066   6.177  -0.275  1.00  0.00           C  
HETATM   13  C   UNL     1       4.345   3.817  -0.569  1.00  0.00           C  
HETATM   14  C   UNL     1       5.036   2.660  -0.740  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.123  -0.613  -1.072  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.917  -0.401  -0.449  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.587  -0.081   1.103  1.00  0.00           C  
HETATM   18  C   UNL     1       0.279  -0.089   0.101  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.118   0.014   0.716  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.171  -0.269  -0.358  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.568  -0.166   0.257  1.00  0.00           C  
HETATM   22  N   UNL     1       5.141   0.297  -0.529  1.00  0.00           N  
HETATM   23  N   UNL     1       1.289   0.183   1.132  1.00  0.00           N  
HETATM   24  N   UNL     1      -9.073  -0.868  -2.041  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.831  -0.647  -1.382  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.575  -0.437  -0.771  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.295  -0.121   0.794  1.00  0.00           N  
HETATM   28  N   UNL     1      -7.979   0.216   2.393  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.501  -0.327   0.170  1.00  0.00           N  
HETATM   30  O   UNL     1       2.393   4.988   0.141  1.00  0.00           O  
HETATM   31 CL   UNL     1       5.728  -4.722  -0.227  1.00  0.00          Cl  
HETATM   32  H   UNL     1       3.139  -4.306   0.827  1.00  0.00           H  
HETATM   33  H   UNL     1       1.795  -2.312   1.186  1.00  0.00           H  
HETATM   34  H   UNL     1       6.357  -2.044  -0.795  1.00  0.00           H  
HETATM   35  H   UNL     1       1.474   2.653   0.787  1.00  0.00           H  
HETATM   36  H   UNL     1       2.425   7.040  -0.094  1.00  0.00           H  
HETATM   37  H   UNL     1       3.992   6.288   0.289  1.00  0.00           H  
HETATM   38  H   UNL     1       3.295   6.112  -1.339  1.00  0.00           H  
HETATM   39  H   UNL     1       4.795   4.753  -0.863  1.00  0.00           H  
HETATM   40  H   UNL     1       6.028   2.682  -1.168  1.00  0.00           H  
HETATM   41  H   UNL     1       0.427  -1.092  -0.298  1.00  0.00           H  
HETATM   42  H   UNL     1       0.376   0.640  -0.704  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.215  -0.715   1.521  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.267   1.017   1.115  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.073   0.460  -1.163  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.022  -1.273  -0.757  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.665  -0.895   1.062  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.716   0.837   0.656  1.00  0.00           H  
HETATM   49  H   UNL     1       1.233  -0.492   1.880  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.797  -1.072  -2.948  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.016  -0.843  -1.814  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.300  -0.641  -1.678  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.922   0.245   2.618  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.312   0.396   3.073  1.00  0.00           H  
CONECT    1   31    6    6    2                                       
CONECT    2    1    3    3   32                                       
CONECT    3    2    2    4   33                                       
CONECT    4    5    3    9    9                                       
CONECT    5    6   22   22    4                                       
CONECT    6    1    1    5   34                                       
CONECT    7   22   14   14    8                                       
CONECT    8    7    9   10   10                                       
CONECT    9    4    4    8   23                                       
CONECT   10    8    8   11   35                                       
CONECT   11   13   13   10   30                                       
CONECT   12   30   36   37   38                                       
CONECT   13   14   11   11   39                                       
CONECT   14    7    7   13   40                                       
CONECT   15   29   24   25   25                                       
CONECT   16   27   27   25   26                                       
CONECT   17   28   29   29   27                                       
CONECT   18   23   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   26   20   47   48                                       
CONECT   22    5    5    7                                            
CONECT   23    9   18   49                                            
CONECT   24   15   50   51                                            
CONECT   25   15   15   16                                            
CONECT   26   16   21   52                                            
CONECT   27   17   16   16                                            
CONECT   28   17   53   54                                            
CONECT   29   17   17   15                                            
CONECT   30   11   12                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
