COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.933  -2.080   0.212  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.691  -0.762   0.605  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.719   0.178   0.564  1.00  0.00           C  
HETATM    4  C   UNL     1       0.669  -0.382   1.041  1.00  0.00           C  
HETATM    5  C   UNL     1       1.519  -2.431   0.011  1.00  0.00           C  
HETATM    6  C   UNL     1       3.859  -0.221   0.385  1.00  0.00           C  
HETATM    7  C   UNL     1       4.761   1.794  -0.568  1.00  0.00           C  
HETATM    8  C   UNL     1       6.282   1.741  -2.514  1.00  0.00           C  
HETATM    9  C   UNL     1       4.072   2.611   2.271  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.018   1.588  -1.243  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.973  -0.200   0.119  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.204  -1.503  -0.282  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.185  -2.443  -0.237  1.00  0.00           C  
HETATM   14 CL   UNL     1      -1.429   1.813   1.070  1.00  0.00          Cl  
HETATM   15  N   UNL     1       1.694  -1.227   0.821  1.00  0.00           N  
HETATM   16  C   UNL     1       0.176  -3.095   0.301  1.00  0.00           C  
HETATM   17  C   UNL     1       3.006  -0.935   1.402  1.00  0.00           C  
HETATM   18  C   UNL     1       3.956   1.158   0.397  1.00  0.00           C  
HETATM   19  C   UNL     1       5.422   1.055  -1.484  1.00  0.00           C  
HETATM   20  N   UNL     1       5.331  -0.301  -1.482  1.00  0.00           N  
HETATM   21  C   UNL     1       4.567  -0.945  -0.581  1.00  0.00           C  
HETATM   22  O   UNL     1       4.492  -2.164  -0.605  1.00  0.00           O  
HETATM   23  O   UNL     1       3.286   1.887   1.323  1.00  0.00           O  
HETATM   24  O   UNL     1       0.861   0.683   1.594  1.00  0.00           O  
HETATM   25 CL   UNL     1      -2.487  -4.075  -0.744  1.00  0.00          Cl  
HETATM   26  C   UNL     1      -4.090   0.810   0.072  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.183   2.576  -1.446  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.174   3.496  -1.908  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.119   2.838  -1.178  1.00  0.00           C  
HETATM   30  O   UNL     1      -5.346   0.135   0.158  1.00  0.00           O  
HETATM   31  C   UNL     1      -6.119   0.489   1.307  1.00  0.00           C  
HETATM   32  H   UNL     1       1.565  -2.163  -1.044  1.00  0.00           H  
HETATM   33  H   UNL     1       2.321  -3.134   0.237  1.00  0.00           H  
HETATM   34  H   UNL     1       4.850   2.871  -0.575  1.00  0.00           H  
HETATM   35  H   UNL     1       7.297   1.844  -2.129  1.00  0.00           H  
HETATM   36  H   UNL     1       6.299   1.147  -3.428  1.00  0.00           H  
HETATM   37  H   UNL     1       5.873   2.728  -2.729  1.00  0.00           H  
HETATM   38  H   UNL     1       4.759   1.928   2.771  1.00  0.00           H  
HETATM   39  H   UNL     1       4.641   3.385   1.756  1.00  0.00           H  
HETATM   40  H   UNL     1       3.417   3.072   3.010  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.827   0.950  -2.106  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.183  -1.790  -0.634  1.00  0.00           H  
HETATM   43  H   UNL     1       0.193  -3.523   1.303  1.00  0.00           H  
HETATM   44  H   UNL     1       0.000  -3.888  -0.426  1.00  0.00           H  
HETATM   45  H   UNL     1       3.491  -1.867   1.692  1.00  0.00           H  
HETATM   46  H   UNL     1       2.882  -0.302   2.281  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.991   1.501   0.909  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.890   2.271  -2.218  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.669   2.881  -0.519  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.974   3.224  -0.169  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.189   2.741  -1.738  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.062  -0.058   1.293  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.565   0.234   2.210  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.320   1.560   1.293  1.00  0.00           H  
HETATM   55  H   UNL     1       5.821  -0.813  -2.145  1.00  0.00           H  
CONECT    1   16   13   13    2                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2   11   14                                       
CONECT    4   15    2   24   24                                       
CONECT    5   16   15   32   33                                       
CONECT    6   21   17   18   18                                       
CONECT    7   19   19   18   34                                       
CONECT    8   19   35   36   37                                       
CONECT    9   23   38   39   40                                       
CONECT   10   29   26   27   41                                       
CONECT   11   12   12    3   26                                       
CONECT   12   13   11   11   42                                       
CONECT   13   25    1    1   12                                       
CONECT   14    3                                                      
CONECT   15    5   17    4                                            
CONECT   16    5    1   43   44                                       
CONECT   17   15    6   45   46                                       
CONECT   18    6    6    7   23                                       
CONECT   19   20    8    7    7                                       
CONECT   20   21   19   55                                            
CONECT   21   22   22   20    6                                       
CONECT   22   21   21                                                 
CONECT   23   18    9                                                 
CONECT   24    4    4                                                 
CONECT   25   13                                                      
CONECT   26   11   10   30   47                                       
CONECT   27   10   28   48   49                                       
CONECT   28   29   27                                                 
CONECT   29   10   28   50   51                                       
CONECT   30   26   31                                                 
CONECT   31   30   52   53   54                                       
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   20                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
