COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.175   2.928  -0.054  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.868   1.456  -0.152  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.665   0.644   0.255  1.00  0.00           O  
HETATM    4  O   UNL     1      -5.709   1.047  -0.691  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.480  -0.386  -0.752  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.020  -0.932  -2.075  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.001  -0.662  -0.660  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.050  -0.008  -1.629  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.543  -1.472   0.262  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.057  -1.654   0.433  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.671  -1.365   1.886  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.185  -1.547   2.057  1.00  0.00           C  
HETATM   13  C   UNL     1       0.379  -2.917   2.332  1.00  0.00           C  
HETATM   14  C   UNL     1       0.616  -0.515   1.968  1.00  0.00           C  
HETATM   15  C   UNL     1       2.087  -0.676   2.250  1.00  0.00           C  
HETATM   16  C   UNL     1       2.883  -0.159   1.079  1.00  0.00           C  
HETATM   17  C   UNL     1       3.272   1.168   1.038  1.00  0.00           C  
HETATM   18  O   UNL     1       2.941   2.008   2.049  1.00  0.00           O  
HETATM   19  C   UNL     1       4.015   1.641  -0.059  1.00  0.00           C  
HETATM   20  C   UNL     1       4.434   3.044  -0.115  1.00  0.00           C  
HETATM   21  O   UNL     1       4.141   3.800   0.787  1.00  0.00           O  
HETATM   22  C   UNL     1       4.352   0.764  -1.099  1.00  0.00           C  
HETATM   23  C   UNL     1       5.148   1.263  -2.277  1.00  0.00           C  
HETATM   24  C   UNL     1       3.961  -0.543  -1.045  1.00  0.00           C  
HETATM   25 CL   UNL     1       4.382  -1.624  -2.336  1.00  0.00          Cl  
HETATM   26  C   UNL     1       3.230  -1.015   0.043  1.00  0.00           C  
HETATM   27  O   UNL     1       2.847  -2.316   0.086  1.00  0.00           O  
HETATM   28  H   UNL     1      -8.153   3.065   0.407  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.415   3.419   0.554  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.180   3.365  -1.053  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.993  -0.872   0.078  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.848  -2.007  -2.122  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.089  -0.732  -2.142  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.507  -0.446  -2.905  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.618   0.554  -2.371  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.389   0.669  -1.088  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.457  -0.774  -2.129  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.230  -2.009   0.900  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.785  -2.679   0.183  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.528  -0.966  -0.226  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.943  -0.340   2.137  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.200  -2.053   2.546  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.421  -3.656   2.287  1.00  0.00           H  
HETATM   44  H   UNL     1       1.135  -3.155   1.583  1.00  0.00           H  
HETATM   45  H   UNL     1       0.832  -2.932   3.323  1.00  0.00           H  
HETATM   46  H   UNL     1       0.221   0.452   1.692  1.00  0.00           H  
HETATM   47  H   UNL     1       2.350  -0.112   3.144  1.00  0.00           H  
HETATM   48  H   UNL     1       2.314  -1.731   2.406  1.00  0.00           H  
HETATM   49  H   UNL     1       3.594   2.044   2.761  1.00  0.00           H  
HETATM   50  H   UNL     1       5.004   3.404  -0.958  1.00  0.00           H  
HETATM   51  H   UNL     1       6.212   1.142  -2.075  1.00  0.00           H  
HETATM   52  H   UNL     1       4.880   0.691  -3.166  1.00  0.00           H  
HETATM   53  H   UNL     1       4.927   2.318  -2.444  1.00  0.00           H  
HETATM   54  H   UNL     1       3.487  -2.901   0.513  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    5    2                                                 
CONECT    5    7    4    6   31                                       
CONECT    6    5   32   33   34                                       
CONECT    7    8    9    9    5                                       
CONECT    8    7   35   36   37                                       
CONECT    9   10    7    7   38                                       
CONECT   10   11    9   39   40                                       
CONECT   11   12   10   41   42                                       
CONECT   12   13   11   14   14                                       
CONECT   13   12   43   44   45                                       
CONECT   14   12   12   15   46                                       
CONECT   15   14   16   47   48                                       
CONECT   16   26   15   17   17                                       
CONECT   17   16   16   19   18                                       
CONECT   18   17   49                                                 
CONECT   19   22   22   17   20                                       
CONECT   20   19   21   21   50                                       
CONECT   21   20   20                                                 
CONECT   22   24   23   19   19                                       
CONECT   23   22   51   52   53                                       
CONECT   24   25   26   26   22                                       
CONECT   25   24                                                      
CONECT   26   27   24   24   16                                       
CONECT   27   26   54                                                 
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
