COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.007   1.994  -0.101  1.00  0.00           C  
HETATM    2  C   UNL     1       2.126  -0.001  -0.015  1.00  0.00           C  
HETATM    3  C   UNL     1       4.383  -0.715  -0.026  1.00  0.00           C  
HETATM    4  C   UNL     1       6.880  -0.643  -0.017  1.00  0.00           C  
HETATM    5  C   UNL     1       7.006   1.766   0.045  1.00  0.00           C  
HETATM    6  C   UNL     1       9.014   0.458   0.019  1.00  0.00           C  
HETATM    7  N   UNL     1      -3.088   1.310   0.003  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.933   0.584  -0.013  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.271  -0.687  -0.050  1.00  0.00           N  
HETATM   10  N   UNL     1      -3.551  -0.803  -0.058  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.109   0.386  -0.027  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.555   0.677  -0.024  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.855  -0.083   0.059  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.280   1.227  -0.018  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.360   2.260  -0.097  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.490  -0.375   0.057  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.030  -1.773   0.139  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.283  -2.115   1.034  1.00  0.00           O  
HETATM   19  O   UNL     1      -6.438  -2.671  -0.779  1.00  0.00           O  
HETATM   20  S   UNL     1      -0.294   1.229   0.010  1.00  0.00           S  
HETATM   21  C   UNL     1       0.651  -0.315  -0.029  1.00  0.00           C  
HETATM   22  N   UNL     1       3.027  -1.003  -0.039  1.00  0.00           N  
HETATM   23  O   UNL     1       2.500   1.151   0.019  1.00  0.00           O  
HETATM   24  S   UNL     1       5.665  -1.918  -0.055  1.00  0.00           S  
HETATM   25  N   UNL     1       4.882   0.472   0.003  1.00  0.00           N  
HETATM   26  C   UNL     1       6.224   0.592   0.011  1.00  0.00           C  
HETATM   27  C   UNL     1       8.272  -0.701  -0.014  1.00  0.00           C  
HETATM   28  C   UNL     1       8.375   1.689   0.050  1.00  0.00           C  
HETATM   29  H   UNL     1      -5.297   2.806  -0.159  1.00  0.00           H  
HETATM   30  H   UNL     1       6.523   2.732   0.066  1.00  0.00           H  
HETATM   31  H   UNL     1      10.093   0.409   0.021  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.173   2.276   0.033  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.578  -0.882   0.121  1.00  0.00           H  
HETATM   34  H   UNL     1      -9.337   1.449  -0.016  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.706   3.282  -0.157  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.110  -3.576  -0.684  1.00  0.00           H  
HETATM   37  H   UNL     1       0.406  -0.868  -0.936  1.00  0.00           H  
HETATM   38  H   UNL     1       0.400  -0.917   0.844  1.00  0.00           H  
HETATM   39  H   UNL     1       2.728  -1.925  -0.066  1.00  0.00           H  
HETATM   40  H   UNL     1       8.770  -1.659  -0.039  1.00  0.00           H  
HETATM   41  H   UNL     1       8.962   2.596   0.075  1.00  0.00           H  
CONECT    1   12   12   15   29                                       
CONECT    2   21   22   23   23                                       
CONECT    3   22   24   25   25                                       
CONECT    4   24   26   26   27                                       
CONECT    5   26   28   28   30                                       
CONECT    6   27   27   28   31                                       
CONECT    7    8   11   32                                            
CONECT    8    7    9    9   20                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11                                            
CONECT   11    7   10   10   12                                       
CONECT   12    1    1   11   16                                       
CONECT   13   14   16   16   33                                       
CONECT   14   13   15   15   34                                       
CONECT   15    1   14   14   35                                       
CONECT   16   12   13   13   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   36                                                 
CONECT   20    8   21                                                 
CONECT   21    2   20   37   38                                       
CONECT   22    2    3   39                                            
CONECT   23    2    2                                                 
CONECT   24    3    4                                                 
CONECT   25    3    3   26                                            
CONECT   26    4    4    5   25                                       
CONECT   27    4    6    6   40                                       
CONECT   28    5    5    6   41                                       
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
