COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.103  -0.129   1.022  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.701   0.536  -0.191  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.003   1.002  -0.153  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.552   1.612  -1.266  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.799   1.757  -2.416  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.498   1.291  -2.454  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.947   0.686  -1.340  1.00  0.00           C  
HETATM    8  C   UNL     1       0.799  -1.570   0.080  1.00  0.00           C  
HETATM    9  C   UNL     1       2.071  -2.027  -0.228  1.00  0.00           C  
HETATM   10  C   UNL     1       2.234  -3.274  -0.800  1.00  0.00           C  
HETATM   11  C   UNL     1       1.137  -4.075  -1.070  1.00  0.00           C  
HETATM   12  C   UNL     1       2.929   0.675   0.912  1.00  0.00           C  
HETATM   13  C   UNL     1       3.544   1.172  -0.241  1.00  0.00           C  
HETATM   14  C   UNL     1       4.930   1.160  -0.342  1.00  0.00           C  
HETATM   15  C   UNL     1       6.963   1.598  -1.497  1.00  0.00           C  
HETATM   16  C   UNL     1       5.696   0.657   0.698  1.00  0.00           C  
HETATM   17  C   UNL     1       5.087   0.165   1.839  1.00  0.00           C  
HETATM   18  C   UNL     1       3.713   0.176   1.954  1.00  0.00           C  
HETATM   19  N   UNL     1       0.599  -0.320   0.650  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.658   0.124   0.946  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.774  -0.648   0.688  1.00  0.00           N  
HETATM   22 CL   UNL     1      -5.949   0.819   1.292  1.00  0.00          Cl  
HETATM   23  C   UNL     1      -1.659  -1.873   0.135  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.315  -2.382  -0.194  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.137  -3.637  -0.771  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.647  -2.546  -0.088  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.526   1.325   1.469  1.00  0.00           N  
HETATM   28  N   UNL     1       0.715   1.653   1.518  1.00  0.00           N  
HETATM   29  C   UNL     1       1.456   0.683   1.030  1.00  0.00           C  
HETATM   30  O   UNL     1       5.535   1.641  -1.461  1.00  0.00           O  
HETATM   31  O   UNL     1       2.790   1.664  -1.259  1.00  0.00           O  
HETATM   32  H   UNL     1      -3.017   0.598   1.829  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.744  -0.951   1.340  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.569   1.976  -1.237  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.227   2.233  -3.286  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.910   1.404  -3.353  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.929   0.326  -1.368  1.00  0.00           H  
HETATM   38  H   UNL     1       2.932  -1.410  -0.021  1.00  0.00           H  
HETATM   39  H   UNL     1       3.227  -3.627  -1.038  1.00  0.00           H  
HETATM   40  H   UNL     1       1.279  -5.048  -1.518  1.00  0.00           H  
HETATM   41  H   UNL     1       7.315   2.011  -2.442  1.00  0.00           H  
HETATM   42  H   UNL     1       7.365   2.185  -0.671  1.00  0.00           H  
HETATM   43  H   UNL     1       7.297   0.565  -1.404  1.00  0.00           H  
HETATM   44  H   UNL     1       6.773   0.648   0.617  1.00  0.00           H  
HETATM   45  H   UNL     1       5.691  -0.225   2.645  1.00  0.00           H  
HETATM   46  H   UNL     1       3.243  -0.205   2.849  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.990  -4.264  -0.983  1.00  0.00           H  
HETATM   48  H   UNL     1       2.605   2.611  -1.190  1.00  0.00           H  
CONECT    1   21    2   32   33                                       
CONECT    2    1    3    3    7                                       
CONECT    3   22    2    2    4                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7    2    6    6   37                                       
CONECT    8   19    9    9   24                                       
CONECT    9    8    8   10   38                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   25   40                                       
CONECT   12   13   29   18   18                                       
CONECT   13   31   14   14   12                                       
CONECT   14   30   13   13   16                                       
CONECT   15   30   41   42   43                                       
CONECT   16   14   17   17   44                                       
CONECT   17   16   16   18   45                                       
CONECT   18   12   12   17   46                                       
CONECT   19   29    8   20                                            
CONECT   20   19   27   27   21                                       
CONECT   21   20    1   23                                            
CONECT   22    3                                                      
CONECT   23   24   21   26   26                                       
CONECT   24    8   23   25   25                                       
CONECT   25   24   24   11   47                                       
CONECT   26   23   23                                                 
CONECT   27   28   20   20                                            
CONECT   28   29   29   27                                            
CONECT   29   12   28   28   19                                       
CONECT   30   15   14                                                 
CONECT   31   13   48                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   25                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
