COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.139   0.324  -0.113  1.00  0.00           C  
HETATM    2  C   UNL     1       1.402   1.665   0.589  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.652   0.667   1.223  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.938  -1.474   0.382  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.559  -0.900  -0.730  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.134   0.458  -0.639  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.281   2.339  -1.558  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.168   2.690  -2.755  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.634  -1.615  -1.927  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.095  -2.883  -2.004  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.481  -3.446  -0.899  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.398  -2.740   0.289  1.00  0.00           C  
HETATM   13  C   UNL     1       3.336   2.702  -0.112  1.00  0.00           C  
HETATM   14  C   UNL     1       3.396   5.075  -0.060  1.00  0.00           C  
HETATM   15  C   UNL     1       3.898   1.452  -0.365  1.00  0.00           C  
HETATM   16  I   UNL     1       3.928  -1.585  -0.465  1.00  0.00           I  
HETATM   17  N   UNL     1       1.908   0.464   0.358  1.00  0.00           N  
HETATM   18  N   UNL     1       0.108   1.770   1.084  1.00  0.00           N  
HETATM   19  N   UNL     1      -1.939   0.779   1.606  1.00  0.00           N  
HETATM   20  N   UNL     1       2.097   2.768   0.361  1.00  0.00           N  
HETATM   21  O   UNL     1      -4.843   0.959  -1.669  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.967   1.122   0.363  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.156  -0.136   2.188  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.075  -1.384   2.787  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.177  -0.431   1.002  1.00  0.00           O  
HETATM   26  O   UNL     1       4.044   3.834  -0.345  1.00  0.00           O  
HETATM   27  S   UNL     1      -2.839  -0.581   1.897  1.00  0.00           S  
HETATM   28  H   UNL     1      -4.412   2.996  -1.545  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.848   2.467  -0.636  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.425   3.749  -2.718  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.632   2.477  -3.679  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.080   2.094  -2.718  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.113  -1.177  -2.790  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.152  -3.437  -2.929  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.062  -4.438  -0.965  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.914  -3.184   1.146  1.00  0.00           H  
HETATM   37  H   UNL     1       2.495   5.162  -0.667  1.00  0.00           H  
HETATM   38  H   UNL     1       3.127   5.110   0.996  1.00  0.00           H  
HETATM   39  H   UNL     1       4.071   5.899  -0.290  1.00  0.00           H  
HETATM   40  H   UNL     1       4.904   1.366  -0.749  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.248   2.639   1.330  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.339   1.656   1.711  1.00  0.00           H  
CONECT    1   16   17   17   15                                       
CONECT    2   17   18   20   20                                       
CONECT    3   18   19   25   25                                       
CONECT    4    5   27   12   12                                       
CONECT    5    6    9    9    4                                       
CONECT    6   22   22   21    5                                       
CONECT    7    8   21   28   29                                       
CONECT    8    7   30   31   32                                       
CONECT    9    5    5   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   12   35                                       
CONECT   12    4    4   11   36                                       
CONECT   13   15   15   20   26                                       
CONECT   14   26   37   38   39                                       
CONECT   15    1   13   13   40                                       
CONECT   16    1                                                      
CONECT   17    1    1    2                                            
CONECT   18    2    3   41                                            
CONECT   19    3   27   42                                            
CONECT   20    2    2   13                                            
CONECT   21    7    6                                                 
CONECT   22    6    6                                                 
CONECT   23   27   27                                                 
CONECT   24   27   27                                                 
CONECT   25    3    3                                                 
CONECT   26   13   14                                                 
CONECT   27   24   24   19    4                                       
CONECT   27   23   23                                                 
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
