COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.234   1.245  -1.085  1.00  0.00           C  
HETATM    2  C   UNL     1       6.536   0.854   0.192  1.00  0.00           C  
HETATM    3  C   UNL     1       4.387   1.038  -0.974  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.666  -1.989  -0.283  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.026  -1.688  -0.149  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.407  -0.406   0.214  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.844  -0.081   0.358  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.478  -0.241   1.581  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.700  -0.749   2.767  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.824   0.063   1.718  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.554   0.528   0.647  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.944   0.699  -0.593  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.247   0.669  -2.094  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.114   0.310   0.322  1.00  0.00           C  
HETATM   15  C   UNL     1       0.298  -0.978  -0.044  1.00  0.00           C  
HETATM   16  C   UNL     1       3.529  -0.768   1.140  1.00  0.00           C  
HETATM   17  C   UNL     1       4.491   0.380   1.461  1.00  0.00           C  
HETATM   18 CL   UNL     1      -1.946   2.184   0.902  1.00  0.00          Cl  
HETATM   19  C   UNL     1      -1.441   0.587   0.447  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.579   0.401  -0.747  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.308   1.112  -2.705  1.00  0.00           N  
HETATM   22  N   UNL     1      -6.389   1.140  -1.814  1.00  0.00           N  
HETATM   23  N   UNL     1      -0.243  -3.215  -0.627  1.00  0.00           N  
HETATM   24  C   UNL     1       1.039  -3.468  -0.744  1.00  0.00           C  
HETATM   25  N   UNL     1       1.975  -2.555  -0.537  1.00  0.00           N  
HETATM   26  C   UNL     1       1.666  -1.313  -0.188  1.00  0.00           C  
HETATM   27  N   UNL     1       2.651  -0.372   0.025  1.00  0.00           N  
HETATM   28  C   UNL     1       3.425  -0.133  -1.201  1.00  0.00           C  
HETATM   29  N   UNL     1       5.192   0.761   0.225  1.00  0.00           N  
HETATM   30  O   UNL     1       7.184   0.621   1.191  1.00  0.00           O  
HETATM   31  C   UNL     1       8.745   1.276  -0.851  1.00  0.00           C  
HETATM   32  H   UNL     1       5.043   1.146  -1.838  1.00  0.00           H  
HETATM   33  H   UNL     1       3.818   1.956  -0.829  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.772  -2.448  -0.328  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.268   0.094   3.306  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.367  -1.301   3.430  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.902  -1.407   2.423  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.306  -0.066   2.677  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.602   0.761   0.770  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.271   0.543  -2.539  1.00  0.00           H  
HETATM   41  H   UNL     1       0.620   1.082   0.505  1.00  0.00           H  
HETATM   42  H   UNL     1       4.099  -1.653   0.858  1.00  0.00           H  
HETATM   43  H   UNL     1       2.922  -0.991   2.018  1.00  0.00           H  
HETATM   44  H   UNL     1       3.930   1.233   1.842  1.00  0.00           H  
HETATM   45  H   UNL     1       5.217   0.053   2.206  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.291   1.429  -2.022  1.00  0.00           H  
HETATM   47  H   UNL     1       1.345  -4.464  -1.027  1.00  0.00           H  
HETATM   48  H   UNL     1       2.746   0.107  -2.019  1.00  0.00           H  
HETATM   49  H   UNL     1       3.995  -1.028  -1.452  1.00  0.00           H  
HETATM   50  H   UNL     1       9.085   0.288  -0.540  1.00  0.00           H  
HETATM   51  H   UNL     1       9.250   1.559  -1.775  1.00  0.00           H  
HETATM   52  H   UNL     1       8.979   2.002  -0.073  1.00  0.00           H  
HETATM   53  H   UNL     1       7.001   0.520  -1.863  1.00  0.00           H  
HETATM   54  H   UNL     1       6.894   2.234  -1.396  1.00  0.00           H  
CONECT    1    2   31   53   54                                       
CONECT    2    1   29   30   30                                       
CONECT    3   28   29   32   33                                       
CONECT    4   23   23    5   15                                       
CONECT    5    4    6    6   34                                       
CONECT    6    7   19    5    5                                       
CONECT    7   20    6    8    8                                       
CONECT    8    7    7   10    9                                       
CONECT    9    8   35   36   37                                       
CONECT   10   11   11    8   38                                       
CONECT   11   12   10   10   39                                       
CONECT   12   22   20   20   11                                       
CONECT   13   21   21   20   40                                       
CONECT   14   19   19   15   41                                       
CONECT   15   14   26   26    4                                       
CONECT   16   27   17   42   43                                       
CONECT   17   16   29   44   45                                       
CONECT   18   19                                                      
CONECT   19   18   14   14    6                                       
CONECT   20   13   12   12    7                                       
CONECT   21   22   13   13                                            
CONECT   22   21   12   46                                            
CONECT   23   24    4    4                                            
CONECT   24   25   25   23   47                                       
CONECT   25   24   24   26                                            
CONECT   26   25   15   15   27                                       
CONECT   27   16   26   28                                            
CONECT   28   27    3   48   49                                       
CONECT   29   17    2    3                                            
CONECT   30    2    2                                                 
CONECT   31    1   50   51   52                                       
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   31                                                      
CONECT   51   31                                                      
CONECT   52   31                                                      
CONECT   53    1                                                      
CONECT   54    1                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
