COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.355  -1.014   1.568  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.861   1.530   0.731  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.990   2.522   1.705  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.019   3.905   0.050  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.880   0.301  -1.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.094  -1.984  -1.397  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.765  -1.872  -2.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.588   1.633  -0.755  1.00  0.00           C  
HETATM    9  C   UNL     1       0.683   1.954  -0.389  1.00  0.00           C  
HETATM   10  C   UNL     1       1.454  -0.218  -0.663  1.00  0.00           C  
HETATM   11  C   UNL     1       3.799  -0.670  -0.332  1.00  0.00           C  
HETATM   12  C   UNL     1       5.962  -1.032   0.640  1.00  0.00           C  
HETATM   13  C   UNL     1       4.682  -1.477   0.376  1.00  0.00           C  
HETATM   14  C   UNL     1       6.366   0.217   0.201  1.00  0.00           C  
HETATM   15 CL   UNL     1       7.976   0.774   0.535  1.00  0.00          Cl  
HETATM   16  C   UNL     1       5.489   1.023  -0.504  1.00  0.00           C  
HETATM   17  C   UNL     1       4.208   0.583  -0.771  1.00  0.00           C  
HETATM   18  N   UNL     1       2.504  -1.121  -0.605  1.00  0.00           N  
HETATM   19  N   UNL     1       1.652   1.048  -0.351  1.00  0.00           N  
HETATM   20  C   UNL     1       0.168  -0.651  -1.056  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.353  -2.354  -1.770  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.387  -1.426  -1.830  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.169  -0.105  -1.496  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.215   0.817  -1.548  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.332   1.789  -0.565  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.888   2.955  -0.855  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.579   3.724   1.347  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.233   0.230   1.059  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.921   0.141   1.275  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.038  -2.135   1.659  1.00  0.00           N  
HETATM   31  C   UNL     1      -2.357  -2.146   1.454  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.002  -0.936   1.139  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.335  -1.242   0.983  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.468  -2.571   1.197  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.308  -3.100   1.472  1.00  0.00           N  
HETATM   36  H   UNL     1       0.711  -1.042   1.735  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.638   2.357   2.713  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.478   4.843  -0.228  1.00  0.00           H  
HETATM   39  H   UNL     1       0.698  -2.717  -1.365  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.355  -2.106  -1.360  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.251  -1.074  -2.807  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.685  -2.760  -2.874  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.360   2.389  -0.778  1.00  0.00           H  
HETATM   44  H   UNL     1       0.910   2.975  -0.122  1.00  0.00           H  
HETATM   45  H   UNL     1       6.648  -1.658   1.190  1.00  0.00           H  
HETATM   46  H   UNL     1       4.367  -2.451   0.719  1.00  0.00           H  
HETATM   47  H   UNL     1       5.807   1.997  -0.845  1.00  0.00           H  
HETATM   48  H   UNL     1       3.524   1.212  -1.321  1.00  0.00           H  
HETATM   49  H   UNL     1       2.341  -2.065  -0.755  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.547  -3.384  -2.032  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.860   0.779  -2.272  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.694   4.512   2.077  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.399  -3.115   1.147  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.046  -0.620   0.762  1.00  0.00           H  
CONECT    1   30   30   29   36                                       
CONECT    2   28    3    3   25                                       
CONECT    3    2    2   27   37                                       
CONECT    4   27   27   26   38                                       
CONECT    5   23   23   20    8                                       
CONECT    6   21   20   20   39                                       
CONECT    7   22   40   41   42                                       
CONECT    8    5    9    9   43                                       
CONECT    9    8    8   19   44                                       
CONECT   10   20   18   19   19                                       
CONECT   11   18   13   13   17                                       
CONECT   12   13   14   14   45                                       
CONECT   13   11   11   12   46                                       
CONECT   14   12   12   16   15                                       
CONECT   15   14                                                      
CONECT   16   14   17   17   47                                       
CONECT   17   11   16   16   48                                       
CONECT   18   10   11   49                                            
CONECT   19    9   10   10                                            
CONECT   20    5    6    6   10                                       
CONECT   21    6   22   22   50                                       
CONECT   22    7   21   21   23                                       
CONECT   23    5    5   22   24                                       
CONECT   24   23   25   51                                            
CONECT   25    2   24   26   26                                       
CONECT   26    4   25   25                                            
CONECT   27    3    4    4   52                                       
CONECT   28    2   32   29   29                                       
CONECT   29    1   28   28                                            
CONECT   30    1    1   31                                            
CONECT   31   30   35   32   32                                       
CONECT   32   28   31   31   33                                       
CONECT   33   32   34   54                                            
CONECT   34   33   35   35   53                                       
CONECT   35   31   34   34                                            
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   24                                                      
CONECT   52   27                                                      
CONECT   53   34                                                      
CONECT   54   33                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
