COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.724   0.705   0.195  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.909   0.503   0.966  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.999  -0.044   0.080  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.907  -0.956   0.588  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.906  -1.461  -0.218  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.000  -1.049  -1.549  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.081  -0.128  -2.055  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.089   0.372  -1.236  1.00  0.00           C  
HETATM    9  C   UNL     1       0.778  -4.302   0.352  1.00  0.00           C  
HETATM   10  C   UNL     1       2.063  -4.009   0.777  1.00  0.00           C  
HETATM   11 CL   UNL     1       3.030  -5.239   1.527  1.00  0.00          Cl  
HETATM   12  C   UNL     1      -6.035  -1.569  -2.391  1.00  0.00           C  
HETATM   13  C   UNL     1       2.578  -2.739   0.599  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.856  -1.982  -3.059  1.00  0.00           N  
HETATM   15  C   UNL     1       0.003  -3.326  -0.246  1.00  0.00           C  
HETATM   16  C   UNL     1       1.798  -1.751   0.001  1.00  0.00           C  
HETATM   17  C   UNL     1       0.506  -2.053  -0.423  1.00  0.00           C  
HETATM   18  C   UNL     1       0.382   0.523   1.081  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.272   3.305   2.849  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.097   1.988   2.666  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.354   1.817   1.556  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.073   3.066   1.071  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.662   3.957   1.897  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.286   3.377  -0.124  1.00  0.00           C  
HETATM   25  N   UNL     1       2.146   1.941   0.164  1.00  0.00           N  
HETATM   26  C   UNL     1       1.670   0.723   0.326  1.00  0.00           C  
HETATM   27  C   UNL     1       2.344  -0.384  -0.188  1.00  0.00           C  
HETATM   28  C   UNL     1       3.534  -0.189  -0.890  1.00  0.00           C  
HETATM   29  C   UNL     1       4.005   1.119  -1.040  1.00  0.00           C  
HETATM   30  C   UNL     1       3.269   2.172  -0.488  1.00  0.00           C  
HETATM   31  C   UNL     1       5.223   1.376  -1.747  1.00  0.00           C  
HETATM   32  N   UNL     1       6.190   1.580  -2.309  1.00  0.00           N  
HETATM   33 CL   UNL     1       3.839   3.802  -0.664  1.00  0.00          Cl  
HETATM   34  H   UNL     1      -1.705  -0.205   1.769  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.833  -1.273   1.618  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.614  -2.173   0.180  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.148   0.195  -3.083  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.378   1.085  -1.626  1.00  0.00           H  
HETATM   39  H   UNL     1       0.381  -5.297   0.489  1.00  0.00           H  
HETATM   40  H   UNL     1       3.580  -2.511   0.930  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.999  -3.560  -0.575  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.101  -1.291  -0.890  1.00  0.00           H  
HETATM   43  H   UNL     1       0.320   1.248   1.893  1.00  0.00           H  
HETATM   44  H   UNL     1       0.355  -0.486   1.494  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.486   1.202   3.297  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.632   5.031   1.789  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.237   3.489   0.150  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.388   2.568  -0.848  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.646   4.307  -0.565  1.00  0.00           H  
HETATM   50  H   UNL     1       4.078  -1.026  -1.304  1.00  0.00           H  
CONECT    1    2   18                                                 
CONECT    2    1    3   21   34                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    5    5    7   12                                       
CONECT    7    6    8    8   37                                       
CONECT    8    3    7    7   38                                       
CONECT    9   10   10   15   39                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10                                                      
CONECT   12    6   14   14   14                                       
CONECT   13   10   16   16   40                                       
CONECT   14   12   12   12                                            
CONECT   15    9   17   17   41                                       
CONECT   16   13   13   17   27                                       
CONECT   17   15   15   16   42                                       
CONECT   18    1   26   43   44                                       
CONECT   19   20   23   23                                            
CONECT   20   19   21   21   45                                       
CONECT   21    2   20   20   22                                       
CONECT   22   21   23   24                                            
CONECT   23   19   19   22   46                                       
CONECT   24   22   47   48   49                                       
CONECT   25   26   26   30                                            
CONECT   26   18   25   25   27                                       
CONECT   27   16   26   28   28                                       
CONECT   28   27   27   29   50                                       
CONECT   29   28   30   30   31                                       
CONECT   30   25   29   29   33                                       
CONECT   31   29   32   32   32                                       
CONECT   32   31   31   31                                            
CONECT   33   30                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
