COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.349   1.036  -0.972  1.00  0.00           C  
HETATM    2  C   UNL     1       4.848  -0.341  -1.322  1.00  0.00           C  
HETATM    3  N   UNL     1       3.698  -0.675  -0.471  1.00  0.00           N  
HETATM    4  C   UNL     1       3.331  -2.090  -0.613  1.00  0.00           C  
HETATM    5  C   UNL     1       2.252  -2.440   0.417  1.00  0.00           C  
HETATM    6  C   UNL     1       2.557   0.204  -0.760  1.00  0.00           C  
HETATM    7  C   UNL     1       1.446  -0.053   0.264  1.00  0.00           C  
HETATM    8  N   UNL     1       1.139  -1.491   0.269  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.150  -1.934   0.139  1.00  0.00           C  
HETATM   10  S   UNL     1      -1.597  -0.927  -0.047  1.00  0.00           S  
HETATM   11  N   UNL     1      -0.548  -3.185   0.123  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.823  -3.477  -0.008  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.237  -4.625  -0.028  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.711  -2.308  -0.132  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.059  -2.290  -0.281  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.787  -1.015  -0.229  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.207   0.102   0.383  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.897   1.295   0.428  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.180   2.682   1.186  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -6.162   1.389  -0.131  1.00  0.00           C  
HETATM   21 CL   UNL     1      -7.024   2.895  -0.071  1.00  0.00          Cl  
HETATM   22  C   UNL     1      -6.743   0.287  -0.739  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.063  -0.910  -0.797  1.00  0.00           C  
HETATM   24  H   UNL     1       4.544  -0.363  -2.368  1.00  0.00           H  
HETATM   25  H   UNL     1       5.643  -1.069  -1.159  1.00  0.00           H  
HETATM   26  H   UNL     1       2.946  -2.266  -1.617  1.00  0.00           H  
HETATM   27  H   UNL     1       4.210  -2.712  -0.446  1.00  0.00           H  
HETATM   28  H   UNL     1       1.894  -3.455   0.242  1.00  0.00           H  
HETATM   29  H   UNL     1       2.667  -2.364   1.422  1.00  0.00           H  
HETATM   30  H   UNL     1       2.875   1.245  -0.700  1.00  0.00           H  
HETATM   31  H   UNL     1       2.182  -0.005  -1.763  1.00  0.00           H  
HETATM   32  H   UNL     1       1.784   0.253   1.254  1.00  0.00           H  
HETATM   33  H   UNL     1       0.556   0.511  -0.013  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.597  -3.214  -0.438  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.222   0.029   0.819  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.728   0.368  -1.173  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.514  -1.766  -1.275  1.00  0.00           H  
HETATM   38  C   UNL     1       5.000   2.118  -1.755  1.00  0.00           C  
HETATM   39  C   UNL     1       5.460   3.383  -1.435  1.00  0.00           C  
HETATM   40  C   UNL     1       6.271   3.572  -0.330  1.00  0.00           C  
HETATM   41  C   UNL     1       6.625   2.498   0.460  1.00  0.00           C  
HETATM   42  C   UNL     1       6.161   1.222   0.146  1.00  0.00           C  
HETATM   43  B   UNL     1       6.560  -0.005   1.041  1.00  0.00           B  
HETATM   44  O   UNL     1       7.397   0.185   2.172  1.00  0.00           O  
HETATM   45  O   UNL     1       6.085  -1.304   0.719  1.00  0.00           O  
HETATM   46  H   UNL     1       4.368   1.977  -2.619  1.00  0.00           H  
HETATM   47  H   UNL     1       5.185   4.227  -2.051  1.00  0.00           H  
HETATM   48  H   UNL     1       6.627   4.562  -0.086  1.00  0.00           H  
HETATM   49  H   UNL     1       7.259   2.646   1.322  1.00  0.00           H  
HETATM   50  H   UNL     1       7.588  -0.628   2.661  1.00  0.00           H  
HETATM   51  H   UNL     1       6.384  -1.994   1.327  1.00  0.00           H  
CONECT    1    2   38   42   42                                       
CONECT    2    1    3   24   25                                       
CONECT    3    2    4    6                                            
CONECT    4    3    5   26   27                                       
CONECT    5    4    8   28   29                                       
CONECT    6    3    7   30   31                                       
CONECT    7    6    8   32   33                                       
CONECT    8    5    7    9                                            
CONECT    9    8   10   11   11                                       
CONECT   10    9   14                                                 
CONECT   11    9    9   12                                            
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   10   12   15   15                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   23                                       
CONECT   17   16   16   18   35                                       
CONECT   18   17   20   20   19                                       
CONECT   19   18                                                      
CONECT   20   18   18   22   21                                       
CONECT   21   20                                                      
CONECT   22   20   23   23   36                                       
CONECT   23   16   22   22   37                                       
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34   15                                                      
CONECT   35   17                                                      
CONECT   36   22                                                      
CONECT   37   23                                                      
CONECT   38    1   39   39   46                                       
CONECT   39   38   38   40   47                                       
CONECT   40   39   41   41   48                                       
CONECT   41   40   40   42   49                                       
CONECT   42   41    1    1   43                                       
CONECT   43   42   44   45                                            
CONECT   44   43   50                                                 
CONECT   45   43   51                                                 
CONECT   46   38                                                      
CONECT   47   39                                                      
CONECT   48   40                                                      
CONECT   49   41                                                      
CONECT   50   44                                                      
CONECT   51   45                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
