COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.896  -0.081   2.408  1.00  0.00           N  
HETATM    2  C   UNL     1       3.052  -0.721   3.426  1.00  0.00           C  
HETATM    3  C   UNL     1       3.776  -0.702   4.774  1.00  0.00           C  
HETATM    4  C   UNL     1       1.751   0.027   3.543  1.00  0.00           C  
HETATM    5  O   UNL     1       1.714   1.218   3.316  1.00  0.00           O  
HETATM    6  N   UNL     1       0.627  -0.624   3.901  1.00  0.00           N  
HETATM    7  S   UNL     1      -0.803   0.199   4.030  1.00  0.00           S  
HETATM    8  O   UNL     1      -1.800  -0.789   4.245  1.00  0.00           O  
HETATM    9  O   UNL     1      -0.538   1.300   4.888  1.00  0.00           O  
HETATM   10  O   UNL     1      -1.106   0.801   2.665  1.00  0.00           O  
HETATM   11  C   UNL     1      -1.871  -0.167   1.946  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.211   0.378   0.558  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.002   0.621  -0.180  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.031  -0.662  -0.228  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.309  -0.135  -0.587  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.179  -0.932  -1.496  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.009  -1.037  -2.654  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.290   0.335  -1.565  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.054   0.062  -2.304  1.00  0.00           N  
HETATM   20  C   UNL     1       1.093  -0.461  -1.789  1.00  0.00           C  
HETATM   21  N   UNL     1       1.991  -0.569  -2.724  1.00  0.00           N  
HETATM   22  C   UNL     1       1.478  -0.123  -3.896  1.00  0.00           C  
HETATM   23  C   UNL     1       1.968  -0.001  -5.207  1.00  0.00           C  
HETATM   24  N   UNL     1       3.259  -0.390  -5.519  1.00  0.00           N  
HETATM   25  N   UNL     1       1.163   0.494  -6.141  1.00  0.00           N  
HETATM   26  C   UNL     1      -0.069   0.868  -5.852  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.571   0.772  -4.639  1.00  0.00           N  
HETATM   28  C   UNL     1       0.157   0.283  -3.641  1.00  0.00           C  
HETATM   29  H   UNL     1       4.054   0.865   2.717  1.00  0.00           H  
HETATM   30  H   UNL     1       4.790  -0.549   2.437  1.00  0.00           H  
HETATM   31  H   UNL     1       2.853  -1.753   3.136  1.00  0.00           H  
HETATM   32  H   UNL     1       4.717  -1.244   4.689  1.00  0.00           H  
HETATM   33  H   UNL     1       3.975   0.329   5.064  1.00  0.00           H  
HETATM   34  H   UNL     1       3.149  -1.177   5.529  1.00  0.00           H  
HETATM   35  H   UNL     1       0.656  -1.577   4.083  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.292  -1.085   1.844  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.793  -0.377   2.489  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.780   1.303   0.652  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.146  -1.576   0.355  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.748  -0.807  -1.126  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.570  -1.828  -1.374  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.534  -1.842  -2.549  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.834   1.161  -2.023  1.00  0.00           H  
HETATM   44  H   UNL     1       1.237  -0.744  -0.756  1.00  0.00           H  
HETATM   45  H   UNL     1       3.586  -0.302  -6.428  1.00  0.00           H  
HETATM   46  H   UNL     1       3.837  -0.752  -4.829  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.690   1.266  -6.641  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    1    3    4   31                                       
CONECT    3    2   32   33   34                                       
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   35                                            
CONECT    7    6    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   36   37                                       
CONECT   12   11   13   14   38                                       
CONECT   13   12   18                                                 
CONECT   14   12   15   16   39                                       
CONECT   15   14   40                                                 
CONECT   16   14   17   18   41                                       
CONECT   17   16   42                                                 
CONECT   18   13   16   19   43                                       
CONECT   19   18   20   28                                            
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23   28                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   45   46                                            
CONECT   25   23   26   26                                            
CONECT   26   25   25   27   47                                       
CONECT   27   26   28   28                                            
CONECT   28   19   22   27   27                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    3                                                      
CONECT   35    6                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
