COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.641  -2.847  -1.235  1.00  0.00           C  
HETATM    2  C   UNL     1       0.665  -1.901   1.025  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.650   0.512  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.572   2.915   0.057  1.00  0.00           C  
HETATM    5  C   UNL     1       4.447   0.865   0.129  1.00  0.00           C  
HETATM    6  C   UNL     1       5.839  -0.726  -1.167  1.00  0.00           C  
HETATM    7  N   UNL     1       0.782   2.597   0.134  1.00  0.00           N  
HETATM    8  O   UNL     1       1.936   2.244   0.141  1.00  0.00           O  
HETATM    9  C   UNL     1       2.081   0.911   0.085  1.00  0.00           C  
HETATM   10  C   UNL     1       0.801   0.382   0.036  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.050   1.584   0.073  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.531   1.638   0.046  1.00  0.00           C  
HETATM   13  C   UNL     1       0.391  -1.040  -0.036  1.00  0.00           C  
HETATM   14  N   UNL     1       3.273   0.206   0.076  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.266  -1.521  -1.168  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.371  -3.700  -0.174  1.00  0.00           C  
HETATM   17  C   UNL     1       0.282  -3.225   0.955  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.272   0.459  -0.021  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.303   1.738  -0.009  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.189   2.872   0.088  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.472   4.024   0.153  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.660   1.784  -0.039  1.00  0.00           O  
HETATM   23 CL   UNL     1      -4.571  -0.957  -0.128  1.00  0.00          Cl  
HETATM   24  O   UNL     1      -0.747  -5.005  -0.240  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.438  -5.827   0.887  1.00  0.00           C  
HETATM   26  C   UNL     1       5.744   0.097   0.119  1.00  0.00           C  
HETATM   27  O   UNL     1       4.460   2.077   0.183  1.00  0.00           O  
HETATM   28  C   UNL     1       6.917   1.077   0.186  1.00  0.00           C  
HETATM   29  H   UNL     1      -1.150  -3.220  -2.111  1.00  0.00           H  
HETATM   30  H   UNL     1       1.174  -1.532   1.904  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.083   3.867   0.085  1.00  0.00           H  
HETATM   32  H   UNL     1       5.806  -0.060  -2.028  1.00  0.00           H  
HETATM   33  H   UNL     1       6.777  -1.282  -1.173  1.00  0.00           H  
HETATM   34  H   UNL     1       5.003  -1.424  -1.214  1.00  0.00           H  
HETATM   35  H   UNL     1       3.262  -0.763   0.033  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.480  -0.857  -1.992  1.00  0.00           H  
HETATM   37  H   UNL     1       0.495  -3.892   1.776  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.767  -0.496  -0.053  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.248   4.396  -0.711  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.074   1.761   0.834  1.00  0.00           H  
HETATM   41  H   UNL     1       0.641  -5.841   1.041  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.927  -5.426   1.774  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.792  -6.842   0.704  1.00  0.00           H  
HETATM   44  H   UNL     1       5.778  -0.569   0.981  1.00  0.00           H  
HETATM   45  H   UNL     1       6.884   1.743  -0.676  1.00  0.00           H  
HETATM   46  H   UNL     1       6.849   1.664   1.102  1.00  0.00           H  
HETATM   47  H   UNL     1       7.855   0.521   0.179  1.00  0.00           H  
CONECT    1   15   15   16   29                                       
CONECT    2   13   13   17   30                                       
CONECT    3   18   23   19   19                                       
CONECT    4   20   20   19   31                                       
CONECT    5   26   14   27   27                                       
CONECT    6   26   32   33   34                                       
CONECT    7    8   11   11                                            
CONECT    8    9    7                                                 
CONECT    9   14    8   10   10                                       
CONECT   10    9    9   11   13                                       
CONECT   11    7    7   10   12                                       
CONECT   12   11   18   18   20                                       
CONECT   13   10    2    2   15                                       
CONECT   14    5    9   35                                            
CONECT   15   13    1    1   36                                       
CONECT   16   17   17    1   24                                       
CONECT   17    2   16   16   37                                       
CONECT   18   12   12    3   38                                       
CONECT   19    3    3    4   22                                       
CONECT   20   12   21    4    4                                       
CONECT   21   20   39                                                 
CONECT   22   19   40                                                 
CONECT   23    3                                                      
CONECT   24   16   25                                                 
CONECT   25   24   41   42   43                                       
CONECT   26    6   28    5   44                                       
CONECT   27    5    5                                                 
CONECT   28   26   45   46   47                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
