COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.972  -0.248  -0.353  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.419  -0.149  -0.149  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.078   0.393  -1.418  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.985  -1.536   0.166  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.486  -0.873  -1.444  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.234  -1.502  -2.168  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.046  -0.793  -1.761  1.00  0.00           C  
HETATM    8  C   UNL     1       0.902  -0.899  -0.742  1.00  0.00           C  
HETATM    9  C   UNL     1       2.245  -0.824  -1.044  1.00  0.00           C  
HETATM   10  C   UNL     1       2.655  -0.644  -2.356  1.00  0.00           C  
HETATM   11  C   UNL     1       1.720  -0.539  -3.371  1.00  0.00           C  
HETATM   12  C   UNL     1       0.372  -0.618  -3.083  1.00  0.00           C  
HETATM   13 CL   UNL     1       4.348  -0.551  -2.727  1.00  0.00          Cl  
HETATM   14 CL   UNL     1      -0.799  -0.486  -4.357  1.00  0.00          Cl  
HETATM   15  C   UNL     1      -1.096   0.305   0.580  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.373   1.462   0.285  1.00  0.00           C  
HETATM   17  S   UNL     1       0.555   1.716   1.788  1.00  0.00           S  
HETATM   18  C   UNL     1      -0.041   0.306   2.704  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.920  -0.278   1.811  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.380   2.236  -0.897  1.00  0.00           C  
HETATM   21  O   UNL     1       0.394   3.339  -0.986  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.083   1.909  -1.834  1.00  0.00           O  
HETATM   23  C   UNL     1       0.314  -0.127   4.072  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.670  -0.622   4.928  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.331  -1.030   6.202  1.00  0.00           C  
HETATM   26  C   UNL     1       0.979  -0.939   6.634  1.00  0.00           C  
HETATM   27  C   UNL     1       1.959  -0.445   5.792  1.00  0.00           C  
HETATM   28  C   UNL     1       1.635  -0.039   4.514  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.623   0.523   0.682  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.787   1.433  -1.562  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.754  -0.196  -2.276  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.162   0.328  -1.321  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.564  -1.895   1.105  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.070  -1.474   0.253  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.724  -2.226  -0.636  1.00  0.00           H  
HETATM   36  H   UNL     1       0.585  -1.038   0.280  1.00  0.00           H  
HETATM   37  H   UNL     1       2.980  -0.905  -0.257  1.00  0.00           H  
HETATM   38  H   UNL     1       2.046  -0.399  -4.392  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.458  -1.176   2.076  1.00  0.00           H  
HETATM   40  H   UNL     1       0.243   3.716  -1.863  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.694  -0.692   4.592  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.092  -1.417   6.864  1.00  0.00           H  
HETATM   43  H   UNL     1       1.239  -1.256   7.634  1.00  0.00           H  
HETATM   44  H   UNL     1       2.981  -0.378   6.135  1.00  0.00           H  
HETATM   45  H   UNL     1       2.401   0.345   3.858  1.00  0.00           H  
CONECT    1    2    5   15                                            
CONECT    2    1    3    4   29                                       
CONECT    3    2   30   31   32                                       
CONECT    4    2   33   34   35                                       
CONECT    5    1    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   12                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10   37                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   38                                       
CONECT   12    7   11   11   14                                       
CONECT   13   10                                                      
CONECT   14   12                                                      
CONECT   15    1   16   16   19                                       
CONECT   16   15   15   17   20                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   23                                       
CONECT   19   15   18   18   39                                       
CONECT   20   16   21   22   22                                       
CONECT   21   20   40                                                 
CONECT   22   20   20                                                 
CONECT   23   18   24   24   28                                       
CONECT   24   23   23   25   41                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   27   43                                       
CONECT   27   26   28   28   44                                       
CONECT   28   23   27   27   45                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
