COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.882  -4.284   1.443  1.00  0.00           C  
HETATM    2  C   UNL     1       4.315  -3.075   0.654  1.00  0.00           C  
HETATM    3  C   UNL     1       3.550  -1.935   0.638  1.00  0.00           C  
HETATM    4  N   UNL     1       5.425  -3.086  -0.024  1.00  0.00           N  
HETATM    5  S   UNL     1       5.581  -1.572  -0.775  1.00  0.00           S  
HETATM    6  C   UNL     1       4.070  -0.913  -0.125  1.00  0.00           C  
HETATM    7  C   UNL     1       3.496   0.431  -0.351  1.00  0.00           C  
HETATM    8  C   UNL     1       4.181   1.353  -1.173  1.00  0.00           C  
HETATM    9  C   UNL     1       3.662   2.591  -1.387  1.00  0.00           C  
HETATM   10  N   UNL     1       2.350   0.752   0.212  1.00  0.00           N  
HETATM   11  N   UNL     1       1.793   2.016   0.009  1.00  0.00           N  
HETATM   12  C   UNL     1       2.439   2.937  -0.781  1.00  0.00           C  
HETATM   13  N   UNL     1       1.689   4.027  -0.791  1.00  0.00           N  
HETATM   14  N   UNL     1       0.643   3.829  -0.068  1.00  0.00           N  
HETATM   15  C   UNL     1       0.664   2.622   0.439  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.383   2.016   1.338  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.398   1.344   0.522  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.469   0.709   1.133  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.600   0.697   2.512  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.683   0.053   3.096  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.598  -0.552   2.375  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.534  -0.579   1.040  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.522  -1.232   0.280  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.466   0.058   0.364  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.402   0.036  -0.967  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.317  -0.563  -1.688  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.398  -1.224  -1.094  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.332  -1.836  -1.868  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.149  -1.766  -3.283  1.00  0.00           C  
HETATM   30  H   UNL     1       3.269  -4.928   0.813  1.00  0.00           H  
HETATM   31  H   UNL     1       4.762  -4.833   1.778  1.00  0.00           H  
HETATM   32  H   UNL     1       3.303  -3.964   2.309  1.00  0.00           H  
HETATM   33  H   UNL     1       2.619  -1.848   1.178  1.00  0.00           H  
HETATM   34  H   UNL     1       5.118   1.075  -1.631  1.00  0.00           H  
HETATM   35  H   UNL     1       4.182   3.300  -2.014  1.00  0.00           H  
HETATM   36  H   UNL     1       0.085   1.292   2.004  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.854   2.802   1.929  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.321   1.344  -0.444  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.862   1.186   3.130  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.774   0.051   4.172  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.355  -1.726   0.759  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.229  -0.557  -2.765  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.146  -0.723  -3.599  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.198  -2.229  -3.550  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.962  -2.294  -3.781  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    4    4    3    1                                       
CONECT    3    6    6    2   33                                       
CONECT    4    5    2    2                                            
CONECT    5    6    4                                                 
CONECT    6    5    7    3    3                                       
CONECT    7   10   10    6    8                                       
CONECT    8    7    9    9   34                                       
CONECT    9   12    8    8   35                                       
CONECT   10   11    7    7                                            
CONECT   11   15   10   12                                            
CONECT   12   13   13   11    9                                       
CONECT   13   14   12   12                                            
CONECT   14   15   15   13                                            
CONECT   15   16   14   14   11                                       
CONECT   16   15   17   36   37                                       
CONECT   17   16   18   38                                            
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20   39                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22                                            
CONECT   22   24   21   23   23                                       
CONECT   23   22   22   27   41                                       
CONECT   24   18   25   25   22                                       
CONECT   25   24   24   26                                            
CONECT   26   25   27   27   42                                       
CONECT   27   26   26   23   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   43   44   45                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   23                                                      
CONECT   42   26                                                      
CONECT   43   29                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
