COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.571   0.200   0.370  1.00  0.00           C  
HETATM    2  C   UNL     1       2.049  -1.728  -0.699  1.00  0.00           C  
HETATM    3  O   UNL     1       2.595  -2.617  -1.321  1.00  0.00           O  
HETATM    4  N   UNL     1       2.599  -0.539  -0.375  1.00  0.00           N  
HETATM    5  C   UNL     1       3.951  -0.078  -0.701  1.00  0.00           C  
HETATM    6  C   UNL     1       4.897  -0.474   0.402  1.00  0.00           C  
HETATM    7  O   UNL     1       4.485  -1.080   1.363  1.00  0.00           O  
HETATM    8  C   UNL     1       0.668  -1.767  -0.168  1.00  0.00           C  
HETATM    9  N   UNL     1       0.397  -0.676   0.437  1.00  0.00           N  
HETATM   10  C   UNL     1       1.218   1.495  -0.364  1.00  0.00           C  
HETATM   11  N   UNL     1       0.629   1.173  -1.670  1.00  0.00           N  
HETATM   12  C   UNL     1       0.212   2.294   0.467  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.046   3.644  -0.205  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.282  -2.927  -0.320  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.591  -2.596   0.351  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.952  -2.924   1.601  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.211  -2.454   1.861  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.702  -1.796   0.757  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.706  -1.850  -0.236  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.900  -1.143   0.485  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.100  -0.565  -0.750  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.117  -0.627  -1.728  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.927  -1.251  -1.478  1.00  0.00           C  
HETATM   24  S   UNL     1      -1.240   4.591   0.780  1.00  0.00           S  
HETATM   25  C   UNL     1      -1.413   6.133  -0.161  1.00  0.00           C  
HETATM   26  H   UNL     1       1.927   0.425   1.376  1.00  0.00           H  
HETATM   27  H   UNL     1       4.274  -0.533  -1.638  1.00  0.00           H  
HETATM   28  H   UNL     1       3.949   1.007  -0.807  1.00  0.00           H  
HETATM   29  H   UNL     1       2.122   2.088  -0.509  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.210   0.623  -1.562  1.00  0.00           H  
HETATM   31  H   UNL     1       0.447   2.011  -2.201  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.723   1.739   0.537  1.00  0.00           H  
HETATM   33  H   UNL     1       0.614   2.457   1.467  1.00  0.00           H  
HETATM   34  H   UNL     1       0.889   4.200  -0.275  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.448   3.482  -1.205  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.455  -3.119  -1.379  1.00  0.00           H  
HETATM   37  H   UNL     1       0.150  -3.814   0.144  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.341  -3.478   2.298  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.686  -2.569   2.699  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.671  -1.090   1.239  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.031  -0.059  -0.959  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.290  -0.170  -2.691  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.166  -1.294  -2.243  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.119   6.790   0.346  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.444   6.626  -0.233  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.781   5.908  -1.163  1.00  0.00           H  
HETATM   47  O   UNL     1       6.198  -0.154   0.318  1.00  0.00           O  
HETATM   48  H   UNL     1       6.766  -0.430   1.051  1.00  0.00           H  
CONECT    1   10    4    9   26                                       
CONECT    2    4    3    3    8                                       
CONECT    3    2    2                                                 
CONECT    4    5    1    2                                            
CONECT    5    6    4   27   28                                       
CONECT    6    7    7    5   47                                       
CONECT    7    6    6                                                 
CONECT    8    2    9    9   14                                       
CONECT    9    1    8    8                                            
CONECT   10   11   12    1   29                                       
CONECT   11   10   30   31                                            
CONECT   12   10   13   32   33                                       
CONECT   13   12   24   34   35                                       
CONECT   14    8   15   36   37                                       
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17   38                                       
CONECT   17   16   18   39                                            
CONECT   18   19   17   20   20                                       
CONECT   19   15   23   23   18                                       
CONECT   20   18   18   21   40                                       
CONECT   21   22   22   20   41                                       
CONECT   22   23   21   21   42                                       
CONECT   23   19   19   22   43                                       
CONECT   24   25   13                                                 
CONECT   25   24   44   45   46                                       
CONECT   26    1                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47    6   48                                                 
CONECT   48   47                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
