COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      13.644   7.454  11.617  1.00  0.00           N  
HETATM    2  C   UNL     1      13.009   6.249  11.895  1.00  0.00           C  
HETATM    3  N   UNL     1      13.896   5.280  12.185  1.00  0.00           N  
HETATM    4  C   UNL     1      13.382   4.062  12.454  1.00  0.00           C  
HETATM    5  C   UNL     1      12.016   3.861  12.404  1.00  0.00           C  
HETATM    6  C   UNL     1      11.192   4.924  12.071  1.00  0.00           C  
HETATM    7  N   UNL     1       9.794   4.793  12.002  1.00  0.00           N  
HETATM    8  C   UNL     1       9.130   3.577  12.300  1.00  0.00           C  
HETATM    9  C   UNL     1       9.056   3.101  13.597  1.00  0.00           C  
HETATM   10  O   UNL     1       9.626   3.726  14.694  1.00  0.00           O  
HETATM   11  C   UNL     1       9.408   2.706  15.711  1.00  0.00           C  
HETATM   12  O   UNL     1       8.461   1.700  15.285  1.00  0.00           O  
HETATM   13  C   UNL     1       8.397   1.948  13.937  1.00  0.00           C  
HETATM   14  C   UNL     1       7.779   1.156  13.003  1.00  0.00           C  
HETATM   15  C   UNL     1       7.852   1.609  11.682  1.00  0.00           C  
HETATM   16  C   UNL     1       8.503   2.803  11.330  1.00  0.00           C  
HETATM   17 CL   UNL     1       8.559   3.352   9.657  1.00  0.00          Cl  
HETATM   18  N   UNL     1      11.683   6.127  11.828  1.00  0.00           N  
HETATM   19  C   UNL     1       9.428   8.437   8.198  1.00  0.00           C  
HETATM   20  S   UNL     1       8.714   9.038   9.710  1.00  0.00           S  
HETATM   21  O   UNL     1       8.609   7.862  10.564  1.00  0.00           O  
HETATM   22  O   UNL     1       7.506   9.772   9.345  1.00  0.00           O  
HETATM   23  N   UNL     1       9.805  10.268  10.203  1.00  0.00           N  
HETATM   24  C   UNL     1      11.183   9.994  10.502  1.00  0.00           C  
HETATM   25  C   UNL     1      12.032  11.076  10.362  1.00  0.00           C  
HETATM   26  C   UNL     1      13.379  10.938  10.619  1.00  0.00           C  
HETATM   27  C   UNL     1      13.879   9.727  11.037  1.00  0.00           C  
HETATM   28  C   UNL     1      13.019   8.639  11.186  1.00  0.00           C  
HETATM   29  C   UNL     1      11.665   8.759  10.931  1.00  0.00           C  
HETATM   30  H   UNL     1      14.637   7.481  11.734  1.00  0.00           H  
HETATM   31  H   UNL     1      14.039   3.243  12.709  1.00  0.00           H  
HETATM   32  H   UNL     1      11.597   2.890  12.621  1.00  0.00           H  
HETATM   33  H   UNL     1       9.248   5.587  11.733  1.00  0.00           H  
HETATM   34  H   UNL     1      10.368   2.214  15.925  1.00  0.00           H  
HETATM   35  H   UNL     1       8.997   3.201  16.603  1.00  0.00           H  
HETATM   36  H   UNL     1       7.269   0.242  13.270  1.00  0.00           H  
HETATM   37  H   UNL     1       7.391   1.019  10.904  1.00  0.00           H  
HETATM   38  H   UNL     1       8.638   8.313   7.443  1.00  0.00           H  
HETATM   39  H   UNL     1      10.174   9.158   7.833  1.00  0.00           H  
HETATM   40  H   UNL     1       9.914   7.468   8.382  1.00  0.00           H  
HETATM   41  H   UNL     1       9.822  10.926   9.450  1.00  0.00           H  
HETATM   42  H   UNL     1      11.639  12.032  10.050  1.00  0.00           H  
HETATM   43  H   UNL     1      10.999   7.918  11.061  1.00  0.00           H  
HETATM   44  H   UNL     1      14.042  11.781  10.492  1.00  0.00           H  
HETATM   45  H   UNL     1      14.932   9.619  11.249  1.00  0.00           H  
CONECT    1    2   28   30                                            
CONECT    2    1    3   18   18                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    5    5    7   18                                       
CONECT    7    6    8   33                                            
CONECT    8    7    9   16   16                                       
CONECT    9    8   10   13   13                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   34   35                                       
CONECT   12   11   13                                                 
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   15   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16    8    8   15   17                                       
CONECT   17   16                                                      
CONECT   18    2    2    6                                            
CONECT   19   20   38   39   40                                       
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   24   41                                            
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   42                                       
CONECT   26   25   25   27   44                                       
CONECT   27   26   28   28   45                                       
CONECT   28    1   27   27   29                                       
CONECT   29   24   24   28   43                                       
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   23                                                      
CONECT   42   25                                                      
CONECT   43   29                                                      
CONECT   44   26                                                      
CONECT   45   27                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
