COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.881  -2.634  -1.059  1.00  0.00           C  
HETATM    2  C   UNL     1       7.077  -0.148  -1.222  1.00  0.00           C  
HETATM    3  O   UNL     1       0.787   0.436  -0.607  1.00  0.00           O  
HETATM    4 CL   UNL     1      -7.273  -1.846  -0.177  1.00  0.00          Cl  
HETATM    5  C   UNL     1       1.137   3.814  -0.679  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.140  -0.691  -1.379  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.984  -0.996   0.992  1.00  0.00           C  
HETATM    8  C   UNL     1       3.573  -0.930   1.792  1.00  0.00           C  
HETATM    9  C   UNL     1       2.926  -1.031  -0.520  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.881  -0.120  -1.388  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.725  -0.426   0.982  1.00  0.00           C  
HETATM   12  C   UNL     1       4.898  -1.059   1.423  1.00  0.00           C  
HETATM   13  C   UNL     1       4.252  -1.159  -0.882  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.100   3.384  -0.995  1.00  0.00           C  
HETATM   15  C   UNL     1       0.373   2.784   1.057  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.898   2.093   0.230  1.00  0.00           C  
HETATM   17  N   UNL     1       1.399   3.433   0.580  1.00  0.00           N  
HETATM   18  N   UNL     1       1.238  -0.786   1.191  1.00  0.00           N  
HETATM   19  O   UNL     1      -0.933  -0.094   0.691  1.00  0.00           O  
HETATM   20  C   UNL     1       0.378  -0.128   0.389  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.692  -1.129  -0.189  1.00  0.00           C  
HETATM   22  C   UNL     1       2.582  -0.916   0.820  1.00  0.00           C  
HETATM   23  C   UNL     1       5.237  -1.173   0.088  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.174   0.012  -0.208  1.00  0.00           C  
HETATM   25  C   UNL     1       6.684  -1.313  -0.311  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.801   0.633  -0.218  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.585   2.731   0.106  1.00  0.00           N  
HETATM   28  H   UNL     1       7.927  -2.735  -1.347  1.00  0.00           H  
HETATM   29  H   UNL     1       6.601  -3.464  -0.410  1.00  0.00           H  
HETATM   30  H   UNL     1       6.255  -2.643  -1.951  1.00  0.00           H  
HETATM   31  H   UNL     1       6.451  -0.158  -2.114  1.00  0.00           H  
HETATM   32  H   UNL     1       6.936   0.792  -0.689  1.00  0.00           H  
HETATM   33  H   UNL     1       8.123  -0.250  -1.510  1.00  0.00           H  
HETATM   34  H   UNL     1       1.802   4.365  -1.327  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.694  -0.790  -2.301  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.414  -1.339   1.921  1.00  0.00           H  
HETATM   37  H   UNL     1       3.308  -0.845   2.836  1.00  0.00           H  
HETATM   38  H   UNL     1       2.157  -1.019  -1.278  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.450   0.222  -2.317  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.172  -0.322   1.904  1.00  0.00           H  
HETATM   41  H   UNL     1       5.670  -1.070   2.179  1.00  0.00           H  
HETATM   42  H   UNL     1       4.520  -1.249  -1.925  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.611   3.528  -1.935  1.00  0.00           H  
HETATM   44  H   UNL     1       0.301   2.359   2.047  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.618   2.618  -0.398  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.225   2.134   1.269  1.00  0.00           H  
HETATM   47  H   UNL     1       0.926  -1.171   2.025  1.00  0.00           H  
HETATM   48  H   UNL     1       7.309  -1.304   0.581  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.390   0.589  -1.226  1.00  0.00           H  
CONECT    1   25   28   29   30                                       
CONECT    2   25   31   32   33                                       
CONECT    3   20   20                                                 
CONECT    4   21                                                      
CONECT    5   14   14   17   34                                       
CONECT    6   10   10   21   35                                       
CONECT    7   11   21   21   36                                       
CONECT    8   12   12   22   37                                       
CONECT    9   13   22   22   38                                       
CONECT   10    6    6   24   39                                       
CONECT   11    7   24   24   40                                       
CONECT   12    8    8   23   41                                       
CONECT   13    9   23   23   42                                       
CONECT   14    5    5   27   43                                       
CONECT   15   17   17   27   44                                       
CONECT   16   26   27   45   46                                       
CONECT   17    5   15   15                                            
CONECT   18   20   22   47                                            
CONECT   19   20   26                                                 
CONECT   20    3    3   18   19                                       
CONECT   21    4    6    7    7                                       
CONECT   22    8    9    9   18                                       
CONECT   23   12   13   13   25                                       
CONECT   24   10   11   11   26                                       
CONECT   25    1    2   23   48                                       
CONECT   26   16   19   24   49                                       
CONECT   27   14   15   16                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
