COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.379   4.358   1.183  1.00  0.00           C  
HETATM    2  C   UNL     1       1.105   3.794   0.609  1.00  0.00           C  
HETATM    3  O   UNL     1       0.233   4.543   0.212  1.00  0.00           O  
HETATM    4  C   UNL     1       0.925   2.406   0.533  1.00  0.00           C  
HETATM    5  C   UNL     1       1.837   1.442   0.955  1.00  0.00           C  
HETATM    6  C   UNL     1       1.275   0.195   0.710  1.00  0.00           C  
HETATM    7  C   UNL     1       1.894  -1.118   1.002  1.00  0.00           C  
HETATM    8  C   UNL     1       1.461  -1.868   2.096  1.00  0.00           C  
HETATM    9  C   UNL     1       2.042  -3.091   2.363  1.00  0.00           C  
HETATM   10  C   UNL     1       3.051  -3.573   1.550  1.00  0.00           C  
HETATM   11  C   UNL     1       3.486  -2.833   0.464  1.00  0.00           C  
HETATM   12  C   UNL     1       2.908  -1.612   0.182  1.00  0.00           C  
HETATM   13  S   UNL     1       3.463  -0.672  -1.201  1.00  0.00           S  
HETATM   14  C   UNL     1       2.043  -0.648  -2.330  1.00  0.00           C  
HETATM   15  O   UNL     1       3.700   0.625  -0.671  1.00  0.00           O  
HETATM   16  O   UNL     1       4.522  -1.445  -1.748  1.00  0.00           O  
HETATM   17  C   UNL     1       0.006   0.410   0.131  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.980  -0.479  -0.310  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.151   0.023  -0.846  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.123  -0.817  -1.281  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.298  -0.839  -0.600  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.512   0.047   0.447  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.708   0.022   1.138  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.692  -0.884   0.787  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.481  -1.768  -0.255  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.290  -1.743  -0.953  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.322   1.417  -0.935  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.351   2.249  -0.501  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.193   1.760   0.029  1.00  0.00           N  
HETATM   30  H   UNL     1       2.337   5.447   1.159  1.00  0.00           H  
HETATM   31  H   UNL     1       2.494   4.021   2.213  1.00  0.00           H  
HETATM   32  H   UNL     1       3.227   4.015   0.591  1.00  0.00           H  
HETATM   33  H   UNL     1       2.806   1.630   1.394  1.00  0.00           H  
HETATM   34  H   UNL     1       0.673  -1.492   2.732  1.00  0.00           H  
HETATM   35  H   UNL     1       1.707  -3.673   3.209  1.00  0.00           H  
HETATM   36  H   UNL     1       3.503  -4.530   1.763  1.00  0.00           H  
HETATM   37  H   UNL     1       4.275  -3.215  -0.167  1.00  0.00           H  
HETATM   38  H   UNL     1       1.224  -0.094  -1.872  1.00  0.00           H  
HETATM   39  H   UNL     1       2.330  -0.166  -3.265  1.00  0.00           H  
HETATM   40  H   UNL     1       1.722  -1.671  -2.532  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.828  -1.546  -0.233  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.744   0.755   0.721  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.874   0.711   1.953  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.626  -0.901   1.329  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.251  -2.475  -0.526  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.128  -2.430  -1.770  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.231   1.823  -1.353  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.494   3.317  -0.575  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    5    5   29    2                                       
CONECT    5    6    4    4   33                                       
CONECT    6    7    5   17   17                                       
CONECT    7   12    6    8    8                                       
CONECT    8    7    7    9   34                                       
CONECT    9   10   10    8   35                                       
CONECT   10   11    9    9   36                                       
CONECT   11   12   12   10   37                                       
CONECT   12   13   11   11    7                                       
CONECT   13   15   15   14   16                                       
CONECT   13   16   12                                                 
CONECT   14   13   38   39   40                                       
CONECT   15   13   13                                                 
CONECT   16   13   13                                                 
CONECT   17    6    6   18   29                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   27                                       
CONECT   20   19   21                                                 
CONECT   21   22   20   26   26                                       
CONECT   22   23   23   21   42                                       
CONECT   23   22   22   24   43                                       
CONECT   24   23   25   25   44                                       
CONECT   25   24   24   26   45                                       
CONECT   26   21   21   25   46                                       
CONECT   27   19   28   28   47                                       
CONECT   28   29   27   27   48                                       
CONECT   29   17    4   28                                            
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   18                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
