COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.894  -0.247   6.506  1.00  0.00           C  
HETATM    2  C   UNL     1       1.386  -0.220   5.225  1.00  0.00           C  
HETATM    3  C   UNL     1       0.027   0.031   5.021  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.807   0.259   6.118  1.00  0.00           C  
HETATM    5 CL   UNL     1      -2.497   0.573   5.876  1.00  0.00          Cl  
HETATM    6  C   UNL     1      -0.286   0.224   7.397  1.00  0.00           C  
HETATM    7  C   UNL     1       1.060  -0.025   7.591  1.00  0.00           C  
HETATM    8  N   UNL     1       0.285  -0.153   2.595  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.523   0.061   3.651  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.705   0.280   3.477  1.00  0.00           O  
HETATM   11  N   UNL     1       0.591  -0.340   0.288  1.00  0.00           N  
HETATM   12  C   UNL     1       0.050  -0.447  -0.996  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.246  -0.914  -1.168  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.781  -1.020  -2.437  1.00  0.00           C  
HETATM   15  C   UNL     1       2.214   0.421  -1.920  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.028  -0.661  -3.539  1.00  0.00           C  
HETATM   17  O   UNL     1       1.004   0.164  -4.458  1.00  0.00           O  
HETATM   18  C   UNL     1       0.185  -0.061  -5.607  1.00  0.00           C  
HETATM   19  C   UNL     1       0.962   0.318  -6.869  1.00  0.00           C  
HETATM   20  C   UNL     1       0.085   0.076  -8.100  1.00  0.00           C  
HETATM   21  C   UNL     1       0.862   0.455  -9.362  1.00  0.00           C  
HETATM   22  C   UNL     1       0.000   0.216 -10.574  1.00  0.00           C  
HETATM   23  O   UNL     1       0.476   0.481 -11.800  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.122  -0.212 -10.441  1.00  0.00           O  
HETATM   25  C   UNL     1       0.265  -0.188  -3.373  1.00  0.00           C  
HETATM   26  C   UNL     1       0.807  -0.086  -2.102  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.217  -0.125   1.345  1.00  0.00           C  
HETATM   28  O   UNL     1      -1.399   0.093   1.170  1.00  0.00           O  
HETATM   29 CL   UNL     1       1.709  -0.061   9.201  1.00  0.00          Cl  
HETATM   30  H   UNL     1       2.944  -0.441   6.665  1.00  0.00           H  
HETATM   31  H   UNL     1       2.037  -0.393   4.381  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.930   0.396   8.246  1.00  0.00           H  
HETATM   33  H   UNL     1       1.229  -0.327   2.734  1.00  0.00           H  
HETATM   34  H   UNL     1       1.549  -0.420   0.419  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.836  -1.195  -0.308  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.789  -1.384  -2.569  1.00  0.00           H  
HETATM   37  H   UNL     1       2.910  -0.417  -1.946  1.00  0.00           H  
HETATM   38  H   UNL     1       2.456   1.119  -2.722  1.00  0.00           H  
HETATM   39  H   UNL     1       2.295   0.931  -0.959  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.449  -0.745  -4.530  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.091  -1.114  -5.654  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.714   0.549  -5.537  1.00  0.00           H  
HETATM   43  H   UNL     1       1.240   1.371  -6.822  1.00  0.00           H  
HETATM   44  H   UNL     1       1.863  -0.292  -6.939  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.191  -0.977  -8.147  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.814   0.686  -8.030  1.00  0.00           H  
HETATM   47  H   UNL     1       1.140   1.508  -9.315  1.00  0.00           H  
HETATM   48  H   UNL     1       1.763  -0.155  -9.432  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.078   0.328 -12.578  1.00  0.00           H  
CONECT    1    2    7    7   30                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2    4    9                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4                                                      
CONECT    6    4    4    7   32                                       
CONECT    7    1    1    6   29                                       
CONECT    8    9   27   33                                            
CONECT    9    3    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12   27   34                                            
CONECT   12   11   13   26   26                                       
CONECT   13   12   14   14   35                                       
CONECT   14   13   13   16   36                                       
CONECT   15   26   37   38   39                                       
CONECT   16   14   25   25   40                                       
CONECT   17   18   25                                                 
CONECT   18   17   19   41   42                                       
CONECT   19   18   20   43   44                                       
CONECT   20   19   21   45   46                                       
CONECT   21   20   22   47   48                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   49                                                 
CONECT   24   22   22                                                 
CONECT   25   16   16   17   26                                       
CONECT   26   12   12   15   25                                       
CONECT   27    8   11   28   28                                       
CONECT   28   27   27                                                 
CONECT   29    7                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
