COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.734  -1.238   1.319  1.00  0.00           C  
HETATM    2  C   UNL     1       6.312  -0.112  -0.686  1.00  0.00           C  
HETATM    3  C   UNL     1       4.396   1.073  -1.497  1.00  0.00           C  
HETATM    4  C   UNL     1       2.543   1.774   0.033  1.00  0.00           C  
HETATM    5  N   UNL     1       0.152   1.139   0.052  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.870   0.210  -0.095  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.285  -1.519  -0.074  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.644  -1.342   0.071  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.390   0.936   0.384  1.00  0.00           C  
HETATM   10  O   UNL     1       6.480  -0.627   1.631  1.00  0.00           O  
HETATM   11  C   UNL     1       5.792  -0.071   0.600  1.00  0.00           C  
HETATM   12  C   UNL     1       5.613   0.460  -1.731  1.00  0.00           C  
HETATM   13  C   UNL     1       3.870   1.105  -0.219  1.00  0.00           C  
HETATM   14  C   UNL     1       4.568   0.540   0.831  1.00  0.00           C  
HETATM   15  C   UNL     1       1.434   0.765  -0.127  1.00  0.00           C  
HETATM   16  O   UNL     1       1.696  -0.383  -0.416  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.134   0.456   0.053  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.970  -0.557  -0.128  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.394  -1.730  -0.446  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.650  -1.486  -0.518  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.438  -0.408   0.016  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.153  -0.144   0.291  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.012   0.844   0.245  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.977   2.176   0.612  1.00  0.00           N  
HETATM   25  H   UNL     1       8.403  -0.494   0.887  1.00  0.00           H  
HETATM   26  H   UNL     1       8.178  -1.642   2.229  1.00  0.00           H  
HETATM   27  H   UNL     1       7.577  -2.044   0.602  1.00  0.00           H  
HETATM   28  H   UNL     1       7.265  -0.586  -0.868  1.00  0.00           H  
HETATM   29  H   UNL     1       3.849   1.516  -2.316  1.00  0.00           H  
HETATM   30  H   UNL     1       2.525   2.176   1.045  1.00  0.00           H  
HETATM   31  H   UNL     1       2.402   2.584  -0.683  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.058   2.058   0.284  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.878  -2.504  -0.250  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.302  -2.195   0.002  1.00  0.00           H  
HETATM   35  H   UNL     1       6.018   0.429  -2.732  1.00  0.00           H  
HETATM   36  H   UNL     1       4.156   0.565   1.829  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.911  -2.661  -0.629  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.393   1.726   0.321  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.424   2.970   0.673  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.939   2.246   0.710  1.00  0.00           H  
CONECT    1   10   25   26   27                                       
CONECT    2   12   12   11   28                                       
CONECT    3   13   13   12   29                                       
CONECT    4   15   13   30   31                                       
CONECT    5    6   15   32                                            
CONECT    6   17   17   20    5                                       
CONECT    7    8   21   21   33                                       
CONECT    8   22   22    7   34                                       
CONECT    9   22   24   23   23                                       
CONECT   10   11    1                                                 
CONECT   11   14   14    2   10                                       
CONECT   12    3    2    2   35                                       
CONECT   13    4    3    3   14                                       
CONECT   14   13   11   11   36                                       
CONECT   15    5   16   16    4                                       
CONECT   16   15   15                                                 
CONECT   17   18    6    6                                            
CONECT   18   21   19   19   17                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19    6                                                 
CONECT   21    7    7   23   18                                       
CONECT   22    8    8    9                                            
CONECT   23    9    9   21   38                                       
CONECT   24    9   39   40                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
