COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.033  -4.204  -0.194  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.660  -2.166  -0.053  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.648   0.578   0.371  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.843  -0.096   0.217  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.443  -0.120   0.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.849  -1.463   0.006  1.00  0.00           C  
HETATM    7  C   UNL     1       0.627  -3.603  -0.167  1.00  0.00           C  
HETATM    8  C   UNL     1       2.150  -5.726  -0.298  1.00  0.00           C  
HETATM    9  C   UNL     1       1.543   0.495   1.629  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.687   1.289  -1.418  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.454  -1.503   0.100  1.00  0.00           C  
HETATM   12  C   UNL     1       3.286   1.922   0.875  1.00  0.00           C  
HETATM   13  C   UNL     1       2.603   2.097  -0.412  1.00  0.00           C  
HETATM   14  C   UNL     1       3.134   2.895  -1.426  1.00  0.00           C  
HETATM   15  C   UNL     1       2.458   3.025  -2.607  1.00  0.00           C  
HETATM   16  C   UNL     1       1.249   2.374  -2.812  1.00  0.00           C  
HETATM   17  C   UNL     1       0.702   1.580  -1.828  1.00  0.00           C  
HETATM   18  C   UNL     1       1.373   1.432  -0.615  1.00  0.00           C  
HETATM   19  C   UNL     1       0.842   0.599   0.473  1.00  0.00           C  
HETATM   20  C   UNL     1       2.501  -4.849  -1.501  1.00  0.00           C  
HETATM   21  C   UNL     1       3.425   0.974   3.099  1.00  0.00           C  
HETATM   22  N   UNL     1       2.730   1.139   1.819  1.00  0.00           N  
HETATM   23  O   UNL     1       4.348   2.479   1.087  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.313  -0.184   0.718  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.071   1.922   1.100  1.00  0.00           O  
HETATM   26  O   UNL     1       0.715  -2.193   0.049  1.00  0.00           O  
HETATM   27  S   UNL     1      -4.365   0.788   0.296  1.00  0.00           S  
HETATM   28  H   UNL     1       2.780  -3.682   0.405  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.672  -3.234  -0.213  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.647   1.645   0.540  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.788  -1.984  -0.115  1.00  0.00           H  
HETATM   32  H   UNL     1       0.131  -3.795  -1.118  1.00  0.00           H  
HETATM   33  H   UNL     1       0.053  -4.059   0.640  1.00  0.00           H  
HETATM   34  H   UNL     1       2.972  -6.205   0.233  1.00  0.00           H  
HETATM   35  H   UNL     1       1.224  -6.299  -0.346  1.00  0.00           H  
HETATM   36  H   UNL     1       1.146  -0.115   2.427  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.622   1.848  -1.463  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.870   1.917  -1.772  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.763   0.403  -2.047  1.00  0.00           H  
HETATM   40  H   UNL     1       4.073   3.407  -1.278  1.00  0.00           H  
HETATM   41  H   UNL     1       2.870   3.643  -3.391  1.00  0.00           H  
HETATM   42  H   UNL     1       0.731   2.491  -3.753  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.239   1.076  -1.994  1.00  0.00           H  
HETATM   44  H   UNL     1       1.806  -4.845  -2.341  1.00  0.00           H  
HETATM   45  H   UNL     1       3.555  -4.751  -1.762  1.00  0.00           H  
HETATM   46  H   UNL     1       4.099   0.120   3.038  1.00  0.00           H  
HETATM   47  H   UNL     1       3.998   1.875   3.319  1.00  0.00           H  
HETATM   48  H   UNL     1       2.694   0.805   3.890  1.00  0.00           H  
CONECT    1    7    8   20   28                                       
CONECT    2    6    6   11   29                                       
CONECT    3    4    4    5   30                                       
CONECT    4   27    3    3    6                                       
CONECT    5    3   19   11   11                                       
CONECT    6    4    2    2   31                                       
CONECT    7   26    1   32   33                                       
CONECT    8    1   20   34   35                                       
CONECT    9   22   19   19   36                                       
CONECT   10   27   37   38   39                                       
CONECT   11    5    5    2   26                                       
CONECT   12   22   23   23   13                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   40                                       
CONECT   15   14   14   16   41                                       
CONECT   16   17   17   15   42                                       
CONECT   17   18   16   16   43                                       
CONECT   18   19   13   13   17                                       
CONECT   19    9    9    5   18                                       
CONECT   20    1    8   44   45                                       
CONECT   21   22   46   47   48                                       
CONECT   22   21    9   12                                            
CONECT   23   12   12                                                 
CONECT   24   27   27                                                 
CONECT   25   27   27                                                 
CONECT   26   11    7                                                 
CONECT   27   24   24   10   25                                       
CONECT   27   25    4                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
