COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.554  -0.757  -0.311  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.898  -2.229  -0.553  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.293  -3.028   0.468  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.870  -2.900   0.532  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.506  -1.435   0.785  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.092  -0.600  -0.274  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.736   0.744  -0.108  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.629   1.694  -0.005  1.00  0.00           N  
HETATM    9  S   UNL     1      -2.768   3.144   0.180  1.00  0.00           S  
HETATM   10  N   UNL     1      -1.227   2.438   0.115  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.415   1.153  -0.037  1.00  0.00           C  
HETATM   12  O   UNL     1      -0.380   0.275  -0.123  1.00  0.00           O  
HETATM   13  C   UNL     1       0.939   0.817  -0.036  1.00  0.00           C  
HETATM   14  C   UNL     1       1.964  -0.314  -0.153  1.00  0.00           C  
HETATM   15  O   UNL     1       1.881  -0.900  -1.453  1.00  0.00           O  
HETATM   16  C   UNL     1       3.370   0.248   0.065  1.00  0.00           C  
HETATM   17  N   UNL     1       4.354  -0.837  -0.047  1.00  0.00           N  
HETATM   18  C   UNL     1       5.719  -0.334   0.157  1.00  0.00           C  
HETATM   19  C   UNL     1       5.830   0.287   1.551  1.00  0.00           C  
HETATM   20  C   UNL     1       6.713  -1.491   0.033  1.00  0.00           C  
HETATM   21  C   UNL     1       6.035   0.725  -0.901  1.00  0.00           C  
HETATM   22  H   UNL     1      -4.964  -0.150  -1.118  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.979  -0.435   0.639  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.979  -2.359  -0.525  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.519  -2.536  -1.528  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.486  -3.516   1.345  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.432  -3.227  -0.411  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.898  -1.124   1.753  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.422  -1.323   0.778  1.00  0.00           H  
HETATM   30  H   UNL     1       1.093   1.531  -0.845  1.00  0.00           H  
HETATM   31  H   UNL     1       1.062   1.321   0.922  1.00  0.00           H  
HETATM   32  H   UNL     1       1.755  -1.072   0.602  1.00  0.00           H  
HETATM   33  H   UNL     1       2.056  -0.280  -2.175  1.00  0.00           H  
HETATM   34  H   UNL     1       3.579   1.007  -0.689  1.00  0.00           H  
HETATM   35  H   UNL     1       3.434   0.695   1.057  1.00  0.00           H  
HETATM   36  H   UNL     1       4.143  -1.584   0.599  1.00  0.00           H  
HETATM   37  H   UNL     1       5.605  -0.467   2.304  1.00  0.00           H  
HETATM   38  H   UNL     1       6.843   0.661   1.702  1.00  0.00           H  
HETATM   39  H   UNL     1       5.122   1.111   1.639  1.00  0.00           H  
HETATM   40  H   UNL     1       6.633  -1.934  -0.959  1.00  0.00           H  
HETATM   41  H   UNL     1       7.725  -1.117   0.185  1.00  0.00           H  
HETATM   42  H   UNL     1       6.487  -2.246   0.787  1.00  0.00           H  
HETATM   43  H   UNL     1       5.327   1.549  -0.812  1.00  0.00           H  
HETATM   44  H   UNL     1       7.048   1.099  -0.749  1.00  0.00           H  
HETATM   45  H   UNL     1       5.955   0.282  -1.893  1.00  0.00           H  
CONECT    1    2    6   22   23                                       
CONECT    2    1    3   24   25                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   26   27                                       
CONECT    5    4    6   28   29                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8    8   11                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10                                                 
CONECT   10    9   11   11                                            
CONECT   11    7   10   10   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   30   31                                       
CONECT   14   13   15   16   32                                       
CONECT   15   14   33                                                 
CONECT   16   14   17   34   35                                       
CONECT   17   16   18   36                                            
CONECT   18   17   19   20   21                                       
CONECT   19   18   37   38   39                                       
CONECT   20   18   40   41   42                                       
CONECT   21   18   43   44   45                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30   13                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
