COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.043  -1.071  -0.313  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.033  -1.669  -0.619  1.00  0.00           C  
HETATM    3  N   UNL     1      -3.964  -3.005  -0.451  1.00  0.00           N  
HETATM    4  O   UNL     1      -5.025  -3.694   0.183  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.858  -0.920  -1.193  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.144   0.559  -1.166  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.731   1.170  -2.259  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.993   2.526  -2.235  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.669   3.273  -1.117  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.082   2.663  -0.025  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.824   1.305  -0.047  1.00  0.00           C  
HETATM   12  S   UNL     1      -2.083   0.526   1.348  1.00  0.00           S  
HETATM   13  O   UNL     1      -2.155   1.462   2.415  1.00  0.00           O  
HETATM   14  O   UNL     1      -2.639  -0.780   1.421  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.372   0.319   0.982  1.00  0.00           C  
HETATM   16  C   UNL     1       0.097  -0.910   0.552  1.00  0.00           C  
HETATM   17  C   UNL     1       1.436  -1.078   0.264  1.00  0.00           C  
HETATM   18  C   UNL     1       2.316  -0.007   0.407  1.00  0.00           C  
HETATM   19  C   UNL     1       1.839   1.228   0.840  1.00  0.00           C  
HETATM   20  C   UNL     1       0.497   1.386   1.120  1.00  0.00           C  
HETATM   21  C   UNL     1       3.757  -0.182   0.099  1.00  0.00           C  
HETATM   22  C   UNL     1       4.233  -1.416  -0.340  1.00  0.00           C  
HETATM   23  C   UNL     1       5.573  -1.576  -0.625  1.00  0.00           C  
HETATM   24  C   UNL     1       6.448  -0.508  -0.475  1.00  0.00           C  
HETATM   25  O   UNL     1       7.767  -0.668  -0.757  1.00  0.00           O  
HETATM   26  C   UNL     1       8.611   0.472  -0.581  1.00  0.00           C  
HETATM   27  C   UNL     1       5.977   0.723  -0.038  1.00  0.00           C  
HETATM   28  C   UNL     1       4.637   0.890   0.242  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.186  -3.493  -0.764  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.885  -4.648   0.258  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.968  -1.129  -0.599  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.691  -1.239  -2.222  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.984   0.586  -3.132  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.451   3.003  -3.089  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.873   4.334  -1.099  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.829   3.247   0.848  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.586  -1.739   0.442  1.00  0.00           H  
HETATM   38  H   UNL     1       1.801  -2.037  -0.071  1.00  0.00           H  
HETATM   39  H   UNL     1       2.517   2.061   0.953  1.00  0.00           H  
HETATM   40  H   UNL     1       0.124   2.344   1.452  1.00  0.00           H  
HETATM   41  H   UNL     1       3.553  -2.247  -0.456  1.00  0.00           H  
HETATM   42  H   UNL     1       5.942  -2.532  -0.965  1.00  0.00           H  
HETATM   43  H   UNL     1       9.636   0.208  -0.840  1.00  0.00           H  
HETATM   44  H   UNL     1       8.269   1.280  -1.228  1.00  0.00           H  
HETATM   45  H   UNL     1       8.571   0.796   0.459  1.00  0.00           H  
HETATM   46  H   UNL     1       6.660   1.551   0.077  1.00  0.00           H  
HETATM   47  H   UNL     1       4.270   1.849   0.578  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    5    3    1    1                                       
CONECT    3    2    4   29                                            
CONECT    4    3   30                                                 
CONECT    5    6    2   31   32                                       
CONECT    6    5   11   11    7                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10   11    9    9   36                                       
CONECT   11   12    6    6   10                                       
CONECT   12   14   14   13   13                                       
CONECT   12   11   15                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   12   16   16   20                                       
CONECT   16   15   15   17   37                                       
CONECT   17   16   18   18   38                                       
CONECT   18   17   17   19   21                                       
CONECT   19   20   20   18   39                                       
CONECT   20   15   19   19   40                                       
CONECT   21   18   22   22   28                                       
CONECT   22   21   21   23   41                                       
CONECT   23   22   24   24   42                                       
CONECT   24   23   23   27   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   43   44   45                                       
CONECT   27   28   28   24   46                                       
CONECT   28   21   27   27   47                                       
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
