COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.432  -0.632  -0.538  1.00  0.00           C  
HETATM    2  C   UNL     1       3.202   0.414   0.001  1.00  0.00           C  
HETATM    3  C   UNL     1       4.565   0.485  -0.325  1.00  0.00           C  
HETATM    4  N   UNL     1       5.069  -0.444  -1.133  1.00  0.00           N  
HETATM    5  N   UNL     1       3.028  -1.514  -1.339  1.00  0.00           N  
HETATM    6  C   UNL     1       7.425   2.736   0.502  1.00  0.00           C  
HETATM    7  C   UNL     1       6.785   1.550  -0.174  1.00  0.00           C  
HETATM    8  N   UNL     1       5.365   1.495   0.180  1.00  0.00           N  
HETATM    9  C   UNL     1       4.309  -1.410  -1.618  1.00  0.00           C  
HETATM   10  C   UNL     1       2.293   1.208   0.825  1.00  0.00           C  
HETATM   11  C   UNL     1       1.085   0.627   0.740  1.00  0.00           C  
HETATM   12  N   UNL     1       1.155  -0.472  -0.076  1.00  0.00           N  
HETATM   13  C   UNL     1       0.028  -1.351  -0.400  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.227  -0.690  -0.129  1.00  0.00           O  
HETATM   15  C   UNL     1       0.003  -2.577   0.547  1.00  0.00           C  
HETATM   16  O   UNL     1       0.836  -3.625   0.047  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.489  -2.990   0.504  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.686  -4.059  -0.423  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.218  -1.719   0.026  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.254  -1.291   1.067  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.216  -2.334   1.239  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.949  -0.039   0.598  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.500   1.199   1.019  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.137   2.348   0.589  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.225   2.259  -0.262  1.00  0.00           C  
HETATM   26 CL   UNL     1      -6.025   3.701  -0.802  1.00  0.00          Cl  
HETATM   27  C   UNL     1      -5.674   1.020  -0.682  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.032  -0.128  -0.256  1.00  0.00           C  
HETATM   29  H   UNL     1       7.015   3.725   0.360  1.00  0.00           H  
HETATM   30  H   UNL     1       6.887   1.649  -1.254  1.00  0.00           H  
HETATM   31  H   UNL     1       4.759  -2.144  -2.270  1.00  0.00           H  
HETATM   32  H   UNL     1       2.543   2.093   1.392  1.00  0.00           H  
HETATM   33  H   UNL     1       0.192   0.975   1.238  1.00  0.00           H  
HETATM   34  H   UNL     1       0.079  -1.671  -1.441  1.00  0.00           H  
HETATM   35  H   UNL     1       0.300  -2.295   1.557  1.00  0.00           H  
HETATM   36  H   UNL     1       0.853  -4.414   0.606  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.833  -3.279   1.497  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.201  -4.866  -0.201  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.707  -1.910  -0.929  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.756  -1.096   2.017  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.699  -2.560   0.433  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.652   1.269   1.683  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.787   3.315   0.918  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.522   0.949  -1.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.382  -1.096  -0.584  1.00  0.00           H  
HETATM   46  H   UNL     1       7.278   0.635   0.156  1.00  0.00           H  
HETATM   47  H   UNL     1       4.984   2.166   0.768  1.00  0.00           H  
HETATM   48  O   UNL     1       8.396   2.580   1.203  1.00  0.00           O  
CONECT    1   12    2    2    5                                       
CONECT    2   10    1    1    3                                       
CONECT    3    2    8    4    4                                       
CONECT    4    3    3    9                                            
CONECT    5    1    9    9                                            
CONECT    6    7   29   48   48                                       
CONECT    7    6    8   30   46                                       
CONECT    8    7    3   47                                            
CONECT    9    5    5    4   31                                       
CONECT   10   11   11    2   32                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13    1                                            
CONECT   13   14   12   15   34                                       
CONECT   14   19   13                                                 
CONECT   15   17   13   16   35                                       
CONECT   16   15   36                                                 
CONECT   17   19   15   18   37                                       
CONECT   18   17   38                                                 
CONECT   19   20   14   17   39                                       
CONECT   20   21   22   19   40                                       
CONECT   21   20   41                                                 
CONECT   22   23   23   28   20                                       
CONECT   23   24   22   22   42                                       
CONECT   24   25   25   23   43                                       
CONECT   25   26   24   24   27                                       
CONECT   26   25                                                      
CONECT   27   25   28   28   44                                       
CONECT   28   27   27   22   45                                       
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    6    6                                                 
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
