COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.084   1.071   0.860  1.00  0.00           C  
HETATM    2  C   UNL     1       5.795   0.086   0.593  1.00  0.00           C  
HETATM    3  C   UNL     1       4.712   0.328  -0.201  1.00  0.00           C  
HETATM    4  C   UNL     1       5.039   1.403  -1.051  1.00  0.00           C  
HETATM    5  C   UNL     1       3.423  -0.408  -0.173  1.00  0.00           C  
HETATM    6  C   UNL     1       3.236  -1.453   0.731  1.00  0.00           C  
HETATM    7  C   UNL     1       1.201  -0.732  -1.021  1.00  0.00           C  
HETATM    8  C   UNL     1       2.397  -0.050  -1.046  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.601  -3.939  -0.043  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.671  -2.561  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.491  -1.820  -0.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.076   0.050   1.284  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.673   2.199   0.170  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.187   1.927   0.278  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.550   3.701   0.201  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.523   4.311   0.410  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.259   0.114  -1.133  1.00  0.00           C  
HETATM   18  N   UNL     1       6.753   0.974   0.256  1.00  0.00           N  
HETATM   19  N   UNL     1       6.259   1.781  -0.775  1.00  0.00           N  
HETATM   20  C   UNL     1       2.040  -2.136   0.757  1.00  0.00           C  
HETATM   21  C   UNL     1       1.016  -1.781  -0.121  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.272  -2.516  -0.093  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.294  -3.906  -0.130  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.438  -4.562  -0.100  1.00  0.00           N  
HETATM   25 CL   UNL     1      -4.210  -1.761   0.078  1.00  0.00          Cl  
HETATM   26  N   UNL     1      -1.519  -0.430   0.012  1.00  0.00           N  
HETATM   27  C   UNL     1      -1.945   1.574   1.356  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.780   3.246  -0.268  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.748   4.265  -0.039  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.135   1.640  -1.143  1.00  0.00           C  
HETATM   31  H   UNL     1       8.051   1.761   1.704  1.00  0.00           H  
HETATM   32  H   UNL     1       8.399   0.087   1.207  1.00  0.00           H  
HETATM   33  H   UNL     1       8.793   1.439   0.118  1.00  0.00           H  
HETATM   34  H   UNL     1       5.871  -0.675   1.355  1.00  0.00           H  
HETATM   35  H   UNL     1       4.393   1.837  -1.800  1.00  0.00           H  
HETATM   36  H   UNL     1       4.030  -1.727   1.410  1.00  0.00           H  
HETATM   37  H   UNL     1       0.406  -0.455  -1.697  1.00  0.00           H  
HETATM   38  H   UNL     1       2.540   0.763  -1.743  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.512  -4.518  -0.024  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.128  -0.228   1.348  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.530  -0.401   2.113  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.477   1.081  -0.345  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.482   1.766   1.315  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.847  -0.290  -2.058  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.310  -0.164  -1.052  1.00  0.00           H  
HETATM   46  H   UNL     1       1.896  -2.946   1.457  1.00  0.00           H  
HETATM   47  H   UNL     1       0.635  -4.455  -0.181  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.386   1.934   2.285  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.891   1.850   1.322  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.989   3.153  -1.334  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.691   3.503   0.274  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.909   5.221  -0.058  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.710   2.047  -1.975  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.087   1.919  -1.254  1.00  0.00           H  
CONECT    1   18   31   32   33                                       
CONECT    2   18    3    3   34                                       
CONECT    3    2    2    4    5                                       
CONECT    4   19   19    3   35                                       
CONECT    5    3    6    6    8                                       
CONECT    6    5    5   20   36                                       
CONECT    7    8    8   21   37                                       
CONECT    8    5    7    7   38                                       
CONECT    9   24   24   10   39                                       
CONECT   10   11   11    9   25                                       
CONECT   11   22   26   10   10                                       
CONECT   12   26   27   40   41                                       
CONECT   13   14   30   27   15                                       
CONECT   14   13   28   42   43                                       
CONECT   15   13   29   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   26   30   44   45                                       
CONECT   18    1   19    2                                            
CONECT   19   18    4    4                                            
CONECT   20    6   21   21   46                                       
CONECT   21   20   20    7   22                                       
CONECT   22   21   23   23   11                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23    9    9                                            
CONECT   25   10                                                      
CONECT   26   17   11   12                                            
CONECT   27   12   13   48   49                                       
CONECT   28   14   29   50   51                                       
CONECT   29   28   15   52                                            
CONECT   30   17   13   53   54                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
