COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.402   1.913  -1.080  1.00  0.00           C  
HETATM    2  C   UNL     1       1.356  -0.525  -1.780  1.00  0.00           C  
HETATM    3  C   UNL     1       3.776  -0.044  -1.390  1.00  0.00           C  
HETATM    4  C   UNL     1       5.082   1.600  -0.028  1.00  0.00           C  
HETATM    5  C   UNL     1       6.438  -0.437   1.259  1.00  0.00           C  
HETATM    6  C   UNL     1       5.495  -0.736   0.293  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.167  -3.225   1.070  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.235  -1.940   0.665  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.091  -1.322  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.970   0.008  -0.351  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.021   1.016  -0.082  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.634   1.073   1.170  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.612   2.015   1.414  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.985   2.902   0.420  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.377   2.854  -0.822  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.829   0.294  -0.944  1.00  0.00           N  
HETATM   17  C   UNL     1       0.009  -0.673  -1.121  1.00  0.00           C  
HETATM   18  C   UNL     1       2.409  -0.194  -0.721  1.00  0.00           C  
HETATM   19  C   UNL     1       4.813   0.282  -0.346  1.00  0.00           C  
HETATM   20  C   UNL     1       6.033   1.900   0.930  1.00  0.00           C  
HETATM   21  C   UNL     1       6.711   0.881   1.573  1.00  0.00           C  
HETATM   22  S   UNL     1      -0.612  -2.139  -0.503  1.00  0.00           S  
HETATM   23  O   UNL     1      -4.249  -1.295   0.855  1.00  0.00           O  
HETATM   24  H   UNL     1      -2.931   1.874  -2.051  1.00  0.00           H  
HETATM   25  H   UNL     1       1.622  -1.459  -2.277  1.00  0.00           H  
HETATM   26  H   UNL     1       1.315   0.278  -2.516  1.00  0.00           H  
HETATM   27  H   UNL     1       4.042  -0.978  -1.886  1.00  0.00           H  
HETATM   28  H   UNL     1       3.735   0.760  -2.125  1.00  0.00           H  
HETATM   29  H   UNL     1       4.552   2.396  -0.530  1.00  0.00           H  
HETATM   30  H   UNL     1       6.968  -1.233   1.761  1.00  0.00           H  
HETATM   31  H   UNL     1       5.281  -1.766   0.048  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.971  -3.545   1.500  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.343   0.380   1.946  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.087   2.059   2.382  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.752   3.637   0.616  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.673   3.549  -1.594  1.00  0.00           H  
HETATM   37  H   UNL     1       2.143   0.740  -0.224  1.00  0.00           H  
HETATM   38  H   UNL     1       2.450  -0.997   0.014  1.00  0.00           H  
HETATM   39  H   UNL     1       6.247   2.930   1.175  1.00  0.00           H  
HETATM   40  H   UNL     1       7.448   1.115   2.327  1.00  0.00           H  
CONECT    1   15   11   11   24                                       
CONECT    2   17   18   25   26                                       
CONECT    3   18   19   27   28                                       
CONECT    4   19   20   20   29                                       
CONECT    5    6   21   21   30                                       
CONECT    6   19   19    5   31                                       
CONECT    7    8   32                                                 
CONECT    8   23   23    9    7                                       
CONECT    9   10   10    8   22                                       
CONECT   10   11   16    9    9                                       
CONECT   11    1    1   12   10                                       
CONECT   12   13   13   11   33                                       
CONECT   13   14   12   12   34                                       
CONECT   14   15   15   13   35                                       
CONECT   15   14   14    1   36                                       
CONECT   16   10   17   17                                            
CONECT   17   16   16   22    2                                       
CONECT   18    2    3   37   38                                       
CONECT   19    3    6    6    4                                       
CONECT   20    4    4   21   39                                       
CONECT   21    5    5   20   40                                       
CONECT   22    9   17                                                 
CONECT   23    8    8                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
