COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.638   0.104   0.425  1.00  0.00           N  
HETATM    2  C   UNL     1       3.885   1.432   0.992  1.00  0.00           C  
HETATM    3  C   UNL     1       4.184   2.405  -0.119  1.00  0.00           C  
HETATM    4  O   UNL     1       4.189   2.028  -1.267  1.00  0.00           O  
HETATM    5  O   UNL     1       4.443   3.691   0.166  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.432  -0.707  -0.803  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.984   0.458  -1.399  1.00  0.00           C  
HETATM    8  C   UNL     1       6.046  -3.078  -0.632  1.00  0.00           C  
HETATM    9  C   UNL     1       6.697  -1.967  -0.113  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.592  -1.439   0.017  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.693   0.897  -1.180  1.00  0.00           C  
HETATM   12  C   UNL     1       4.688  -3.087  -0.770  1.00  0.00           C  
HETATM   13  C   UNL     1       5.985  -0.852   0.271  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.169   1.905   0.202  1.00  0.00           C  
HETATM   15  C   UNL     1       2.559  -1.662  -0.415  1.00  0.00           C  
HETATM   16  C   UNL     1       1.117   0.292   0.239  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.299  -1.010   0.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.454   0.630  -0.117  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.242   0.335   0.025  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.842   0.164  -0.356  1.00  0.00           C  
HETATM   21  C   UNL     1       2.401  -0.408   0.085  1.00  0.00           C  
HETATM   22  C   UNL     1       3.942  -1.965  -0.389  1.00  0.00           C  
HETATM   23  C   UNL     1       4.600  -0.836   0.138  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.409  -0.182  -0.204  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.037  -0.353  -0.019  1.00  0.00           N  
HETATM   26  O   UNL     1       1.098   1.454   0.599  1.00  0.00           O  
HETATM   27  S   UNL     1      -1.423   2.046   0.400  1.00  0.00           S  
HETATM   28 CL   UNL     1      -4.246  -1.929   1.272  1.00  0.00          Cl  
HETATM   29  H   UNL     1       3.002   1.764   1.538  1.00  0.00           H  
HETATM   30  H   UNL     1       4.736   1.384   1.671  1.00  0.00           H  
HETATM   31  H   UNL     1       4.629   4.277  -0.580  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.444  -1.043  -0.974  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.644   1.025  -2.038  1.00  0.00           H  
HETATM   34  H   UNL     1       6.620  -3.944  -0.930  1.00  0.00           H  
HETATM   35  H   UNL     1       7.772  -1.976  -0.010  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.948  -2.347   0.480  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.345   1.806  -1.647  1.00  0.00           H  
HETATM   38  H   UNL     1       4.191  -3.956  -1.175  1.00  0.00           H  
HETATM   39  H   UNL     1       6.501   0.007   0.674  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.885   2.705   0.313  1.00  0.00           H  
HETATM   41  H   UNL     1       1.771  -2.312  -0.766  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.027  -1.299  -0.235  1.00  0.00           H  
CONECT    1   21   23    2                                            
CONECT    2    1    3   29   30                                       
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3   31                                                 
CONECT    6    7    7   10   32                                       
CONECT    7    6    6   11   33                                       
CONECT    8   12    9    9   34                                       
CONECT    9    8    8   13   35                                       
CONECT   10    6   17   17   36                                       
CONECT   11    7   20   20   37                                       
CONECT   12   22   22    8   38                                       
CONECT   13   23   23    9   39                                       
CONECT   14   18   18   27   40                                       
CONECT   15   21   21   22   41                                       
CONECT   16   25   26   26   21                                       
CONECT   17   10   10   20   28                                       
CONECT   18   20   14   14   24                                       
CONECT   19   24   24   27   25                                       
CONECT   20   11   11   17   18                                       
CONECT   21   16   15   15    1                                       
CONECT   22   15   12   12   23                                       
CONECT   23   22    1   13   13                                       
CONECT   24   18   19   19                                            
CONECT   25   19   16   42                                            
CONECT   26   16   16                                                 
CONECT   27   14   19                                                 
CONECT   28   17                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
