COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -4.229   1.690  -0.384  1.00  0.00           N  
HETATM    2  C   UNL     1       4.024  -0.443   0.587  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.719  -0.526  -0.726  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.798   0.743  -1.272  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.961   1.478  -1.157  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.060   0.943  -0.495  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.300   1.179   0.257  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.217  -0.192   0.839  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.980  -0.338   0.055  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.803  -1.068  -0.065  1.00  0.00           C  
HETATM   11  C   UNL     1       1.499  -1.811   1.702  1.00  0.00           C  
HETATM   12  C   UNL     1       2.353   1.188   0.014  1.00  0.00           C  
HETATM   13  C   UNL     1       3.332   2.158  -0.078  1.00  0.00           C  
HETATM   14  C   UNL     1       4.653   1.837   0.172  1.00  0.00           C  
HETATM   15  O   UNL     1       0.404  -2.823  -0.751  1.00  0.00           O  
HETATM   16  S   UNL     1       0.770  -1.456  -0.878  1.00  0.00           S  
HETATM   17  O   UNL     1       1.454  -0.937  -2.010  1.00  0.00           O  
HETATM   18  N   UNL     1       1.707  -1.098   0.440  1.00  0.00           N  
HETATM   19  C   UNL     1       2.697  -0.117   0.347  1.00  0.00           C  
HETATM   20  C   UNL     1       5.002   0.535   0.499  1.00  0.00           C  
HETATM   21  O   UNL     1       6.303   0.219   0.734  1.00  0.00           O  
HETATM   22  C   UNL     1       7.257   1.276   0.627  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.321   1.829   0.360  1.00  0.00           O  
HETATM   24  N   UNL     1      -4.074  -0.895   0.713  1.00  0.00           N  
HETATM   25  O   UNL     1      -6.170  -0.670   1.420  1.00  0.00           O  
HETATM   26  H   UNL     1      -4.273   2.581  -0.766  1.00  0.00           H  
HETATM   27  H   UNL     1       4.294  -1.457   0.846  1.00  0.00           H  
HETATM   28  H   UNL     1       0.054   1.161  -1.787  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.018   2.469  -1.584  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.737  -2.059   0.359  1.00  0.00           H  
HETATM   31  H   UNL     1       2.128  -2.701   1.725  1.00  0.00           H  
HETATM   32  H   UNL     1       1.762  -1.160   2.536  1.00  0.00           H  
HETATM   33  H   UNL     1       0.452  -2.104   1.786  1.00  0.00           H  
HETATM   34  H   UNL     1       1.321   1.443  -0.173  1.00  0.00           H  
HETATM   35  H   UNL     1       3.063   3.172  -0.337  1.00  0.00           H  
HETATM   36  H   UNL     1       5.416   2.598   0.099  1.00  0.00           H  
HETATM   37  H   UNL     1       7.233   1.686  -0.383  1.00  0.00           H  
HETATM   38  H   UNL     1       7.013   2.061   1.343  1.00  0.00           H  
HETATM   39  H   UNL     1       8.254   0.889   0.838  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.008  -1.786   1.091  1.00  0.00           H  
CONECT    1    6    7   26                                            
CONECT    2   20   19   19   27                                       
CONECT    3   16    4    4   10                                       
CONECT    4    3    3    5   28                                       
CONECT    5    4    6    6   29                                       
CONECT    6    5    5    9    1                                       
CONECT    7    1    8   23   23                                       
CONECT    8   24    7   25   25                                       
CONECT    9   10   10    6   24                                       
CONECT   10    3    9    9   30                                       
CONECT   11   18   31   32   33                                       
CONECT   12   13   13   19   34                                       
CONECT   13   14   12   12   35                                       
CONECT   14   20   20   13   36                                       
CONECT   15   16   16                                                 
CONECT   16   17   17   18   15                                       
CONECT   16   15    3                                                 
CONECT   17   16   16                                                 
CONECT   18   19   16   11                                            
CONECT   19    2    2   12   18                                       
CONECT   20   21   14   14    2                                       
CONECT   21   22   20                                                 
CONECT   22   21   37   38   39                                       
CONECT   23    7    7                                                 
CONECT   24    9    8   40                                            
CONECT   25    8    8                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   22                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   24                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
