COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.030   1.186   0.192  1.00  0.00           C  
HETATM    2  C   UNL     1       5.245   3.482   0.374  1.00  0.00           C  
HETATM    3  C   UNL     1       6.475   1.922  -0.324  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.474  -0.870  -0.213  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.896  -1.641   0.867  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.213  -1.602   1.265  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.366  -0.065  -0.888  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.719  -0.012  -0.493  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.127  -0.793   0.593  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.893   0.598  -0.496  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.202   1.083  -0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.433   1.814  -0.770  1.00  0.00           C  
HETATM   13  N   UNL     1       3.831  -2.382  -0.544  1.00  0.00           N  
HETATM   14  C   UNL     1       3.241  -1.232  -0.123  1.00  0.00           C  
HETATM   15  C   UNL     1       4.212  -0.234  -0.174  1.00  0.00           C  
HETATM   16  C   UNL     1       5.397  -0.830  -0.640  1.00  0.00           C  
HETATM   17  N   UNL     1       5.165  -2.098  -0.856  1.00  0.00           N  
HETATM   18  C   UNL     1       3.184  -3.692  -0.647  1.00  0.00           C  
HETATM   19  C   UNL     1       1.840  -1.072   0.307  1.00  0.00           C  
HETATM   20  O   UNL     1       1.561  -1.088   1.490  1.00  0.00           O  
HETATM   21  N   UNL     1       0.868  -0.908  -0.612  1.00  0.00           N  
HETATM   22  O   UNL     1       2.949   1.579   0.584  1.00  0.00           O  
HETATM   23  N   UNL     1       5.065   2.044   0.098  1.00  0.00           N  
HETATM   24  C   UNL     1       6.736   3.153   0.563  1.00  0.00           C  
HETATM   25  S   UNL     1      -4.849  -0.527   0.854  1.00  0.00           S  
HETATM   26  N   UNL     1      -3.725   0.708  -1.027  1.00  0.00           N  
HETATM   27  N   UNL     1      -6.025   1.270  -0.929  1.00  0.00           N  
HETATM   28  O   UNL     1      -7.270   0.326   0.646  1.00  0.00           O  
HETATM   29  H   UNL     1       5.041   4.123  -0.484  1.00  0.00           H  
HETATM   30  H   UNL     1       4.751   3.822   1.285  1.00  0.00           H  
HETATM   31  H   UNL     1       6.962   1.014   0.030  1.00  0.00           H  
HETATM   32  H   UNL     1       6.632   2.103  -1.387  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.191  -2.270   1.391  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.539  -2.201   2.102  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.027   0.530  -1.724  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.512   2.766  -0.246  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.361   1.994  -1.842  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.316   1.209  -0.562  1.00  0.00           H  
HETATM   39  H   UNL     1       6.339  -0.326  -0.793  1.00  0.00           H  
HETATM   40  H   UNL     1       2.667  -3.768  -1.604  1.00  0.00           H  
HETATM   41  H   UNL     1       3.938  -4.476  -0.578  1.00  0.00           H  
HETATM   42  H   UNL     1       2.465  -3.807   0.164  1.00  0.00           H  
HETATM   43  H   UNL     1       1.097  -0.816  -1.550  1.00  0.00           H  
HETATM   44  H   UNL     1       7.408   3.884   0.112  1.00  0.00           H  
HETATM   45  H   UNL     1       7.005   2.905   1.590  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.970   1.876  -1.684  1.00  0.00           H  
CONECT    1   15   22   22   23                                       
CONECT    2   23   24   29   30                                       
CONECT    3   23   24   31   32                                       
CONECT    4   21    5    5    7                                       
CONECT    5    4    4    6   33                                       
CONECT    6    5    9    9   34                                       
CONECT    7    4    8    8   35                                       
CONECT    8    7    7    9   26                                       
CONECT    9    6    6    8   25                                       
CONECT   10   25   26   26   27                                       
CONECT   11   27   12   28   28                                       
CONECT   12   11   36   37   38                                       
CONECT   13   14   17   18                                            
CONECT   14   13   15   15   19                                       
CONECT   15   14   14   16    1                                       
CONECT   16   15   17   17   39                                       
CONECT   17   13   16   16                                            
CONECT   18   13   40   41   42                                       
CONECT   19   14   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19    4   43                                            
CONECT   22    1    1                                                 
CONECT   23    1    2    3                                            
CONECT   24    2    3   44   45                                       
CONECT   25    9   10                                                 
CONECT   26    8   10   10                                            
CONECT   27   10   11   46                                            
CONECT   28   11   11                                                 
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
