COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.079  -3.193   3.467  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.867  -2.331   2.779  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.214  -2.682   1.531  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.840  -3.735   1.072  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.072  -1.762   0.701  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.537  -2.186   0.819  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.635  -1.839  -0.763  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.200  -1.553  -0.869  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.372  -0.801  -1.571  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.171  -1.002  -2.579  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.579   0.129  -3.040  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.066   1.107  -2.339  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.279   2.582  -2.565  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.304   0.539  -1.368  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.615   1.179  -0.335  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.180   2.322   0.224  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.557   2.972   1.268  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.357   2.484   1.771  1.00  0.00           C  
HETATM   19  O   UNL     1       0.249   3.116   2.811  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.403   4.273   3.337  1.00  0.00           C  
HETATM   21  C   UNL     1       0.221   1.360   1.217  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.394   0.700   0.143  1.00  0.00           C  
HETATM   23  C   UNL     1       0.305  -0.443  -0.455  1.00  0.00           C  
HETATM   24  C   UNL     1       1.772  -0.303  -0.600  1.00  0.00           C  
HETATM   25  C   UNL     1       2.587  -1.436  -0.601  1.00  0.00           C  
HETATM   26  C   UNL     1       3.953  -1.300  -0.737  1.00  0.00           C  
HETATM   27  C   UNL     1       4.516  -0.042  -0.873  1.00  0.00           C  
HETATM   28 CL   UNL     1       6.235   0.122  -1.044  1.00  0.00          Cl  
HETATM   29  C   UNL     1       3.712   1.086  -0.873  1.00  0.00           C  
HETATM   30  C   UNL     1       2.344   0.961  -0.743  1.00  0.00           C  
HETATM   31  H   UNL     1       0.324  -2.762   4.437  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.365  -4.179   3.608  1.00  0.00           H  
HETATM   33  H   UNL     1       0.986  -3.285   2.870  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.960  -0.738   1.060  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.649  -3.209   0.460  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.849  -2.131   1.862  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.158  -1.520   0.219  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.844  -2.833  -1.158  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.146   2.915  -1.994  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.396   3.131  -2.240  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.451   2.766  -3.626  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.113   2.702  -0.163  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.001   3.859   1.694  1.00  0.00           H  
HETATM   44  H   UNL     1       0.184   4.679   4.160  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.498   5.025   2.553  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.395   3.999   3.698  1.00  0.00           H  
HETATM   47  H   UNL     1       1.153   0.986   1.612  1.00  0.00           H  
HETATM   48  H   UNL     1       2.149  -2.417  -0.495  1.00  0.00           H  
HETATM   49  H   UNL     1       4.584  -2.176  -0.738  1.00  0.00           H  
HETATM   50  H   UNL     1       4.156   2.064  -0.979  1.00  0.00           H  
HETATM   51  H   UNL     1       1.718   1.841  -0.747  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    3    1                                                 
CONECT    3    5    2    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    7    3   34                                       
CONECT    6    5   35   36   37                                       
CONECT    7    9    5    8   38                                       
CONECT    8    7   23   23                                            
CONECT    9   10   10   14    7                                       
CONECT   10   11    9    9                                            
CONECT   11   12   12   10                                            
CONECT   12   13   11   11   14                                       
CONECT   13   12   39   40   41                                       
CONECT   14   12    9   15                                            
CONECT   15   16   14   22   22                                       
CONECT   16   17   17   15   42                                       
CONECT   17   16   16   18   43                                       
CONECT   18   17   19   21   21                                       
CONECT   19   20   18                                                 
CONECT   20   19   44   45   46                                       
CONECT   21   18   18   22   47                                       
CONECT   22   15   15   21   23                                       
CONECT   23   22    8    8   24                                       
CONECT   24   23   30   30   25                                       
CONECT   25   24   26   26   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   29   29   26   28                                       
CONECT   28   27                                                      
CONECT   29   30   27   27   50                                       
CONECT   30   24   24   29   51                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
