COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.169  -1.128   0.757  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.523  -0.637  -0.958  1.00  0.00           C  
HETATM    3  C   UNL     1       1.273  -0.465   1.189  1.00  0.00           C  
HETATM    4  C   UNL     1       1.588   1.490  -0.174  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.960  -2.464   0.566  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.314  -1.976  -1.132  1.00  0.00           C  
HETATM    7  C   UNL     1       2.601  -0.800   1.009  1.00  0.00           C  
HETATM    8  C   UNL     1       2.917   1.156  -0.341  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.452  -0.192  -0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       0.762   0.683   0.598  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.033  -2.898  -0.377  1.00  0.00           C  
HETATM   12  C   UNL     1       3.422   0.009   0.245  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.671   1.239   0.194  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.626   2.130   0.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.875   3.569   0.083  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.264   1.628  -0.216  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.761   4.539  -0.216  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.592  -5.119   0.254  1.00  0.00           C  
HETATM   19  N   UNL     1       5.201  -1.371  -1.337  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.582   1.025   0.778  1.00  0.00           N  
HETATM   21  O   UNL     1      -3.979   3.983   0.372  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.752   1.757  -1.313  1.00  0.00           O  
HETATM   23  O   UNL     1       5.798   0.784  -0.294  1.00  0.00           O  
HETATM   24  O   UNL     1       5.468  -1.255   1.113  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.821  -4.226  -0.553  1.00  0.00           O  
HETATM   26  S   UNL     1       5.115  -0.422   0.017  1.00  0.00           S  
HETATM   27  H   UNL     1      -4.889  -0.792   1.489  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.967   0.078  -1.547  1.00  0.00           H  
HETATM   29  H   UNL     1       0.632  -1.097   1.786  1.00  0.00           H  
HETATM   30  H   UNL     1       1.194   2.386  -0.631  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.514  -3.185   1.149  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.600  -2.319  -1.865  1.00  0.00           H  
HETATM   33  H   UNL     1       2.998  -1.695   1.465  1.00  0.00           H  
HETATM   34  H   UNL     1       3.563   1.790  -0.929  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.649   1.602   0.473  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.458   4.435  -1.258  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.109   5.557  -0.039  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.911   4.327   0.432  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.653  -4.963   0.056  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.326  -6.148   0.013  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.386  -4.927   1.306  1.00  0.00           H  
HETATM   42  H   UNL     1       6.002  -1.363  -1.884  1.00  0.00           H  
HETATM   43  H   UNL     1       4.451  -1.934  -1.584  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.024   0.828   1.619  1.00  0.00           H  
CONECT    1    9    5    5   27                                       
CONECT    2    9    9    6   28                                       
CONECT    3   10   10    7   29                                       
CONECT    4   10    8    8   30                                       
CONECT    5    1    1   11   31                                       
CONECT    6    2   11   11   32                                       
CONECT    7    3   12   12   33                                       
CONECT    8    4    4   12   34                                       
CONECT    9   13    2    2    1                                       
CONECT   10   20    3    3    4                                       
CONECT   11    6    6    5   25                                       
CONECT   12    7    7    8   26                                       
CONECT   13   14   14    9   35                                       
CONECT   14   15   13   13   16                                       
CONECT   15   21   21   17   14                                       
CONECT   16   14   22   22   20                                       
CONECT   17   15   36   37   38                                       
CONECT   18   25   39   40   41                                       
CONECT   19   26   42   43                                            
CONECT   20   16   10   44                                            
CONECT   21   15   15                                                 
CONECT   22   16   16                                                 
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25   11   18                                                 
CONECT   26   12   19   24   24                                       
CONECT   26   23   23                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   13                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
