COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.426  -2.186  -0.349  1.00  0.00           C  
HETATM    2  C   UNL     1       0.764  -3.602   0.120  1.00  0.00           C  
HETATM    3  C   UNL     1       1.595  -4.310  -0.952  1.00  0.00           C  
HETATM    4  C   UNL     1       2.889  -3.529  -1.191  1.00  0.00           C  
HETATM    5  C   UNL     1       2.551  -2.113  -1.661  1.00  0.00           C  
HETATM    6  C   UNL     1       1.719  -1.405  -0.589  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.640   2.615  -1.066  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.545   1.627  -0.947  1.00  0.00           C  
HETATM    9  O   UNL     1      -3.671   1.798  -1.381  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.223   0.397  -0.335  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.976   0.184   0.155  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.560  -1.347   0.922  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.356   2.461  -0.588  1.00  0.00           C  
HETATM   14  C   UNL     1       0.016   1.253   0.032  1.00  0.00           C  
HETATM   15  C   UNL     1       1.317   1.091   0.518  1.00  0.00           C  
HETATM   16  C   UNL     1       2.226   2.118   0.385  1.00  0.00           C  
HETATM   17  C   UNL     1       1.857   3.309  -0.226  1.00  0.00           C  
HETATM   18  C   UNL     1       0.578   3.484  -0.710  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.842   1.922   0.987  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -3.268  -0.683  -0.225  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.114  -0.448   1.028  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.175  -1.544   1.140  1.00  0.00           C  
HETATM   23  O   UNL     1       0.286  -0.948   1.992  1.00  0.00           O  
HETATM   24  H   UNL     1      -0.145  -2.237  -1.276  1.00  0.00           H  
HETATM   25  H   UNL     1       1.334  -3.551   1.048  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.158  -4.158   0.291  1.00  0.00           H  
HETATM   27  H   UNL     1       1.836  -5.319  -0.618  1.00  0.00           H  
HETATM   28  H   UNL     1       1.024  -4.360  -1.879  1.00  0.00           H  
HETATM   29  H   UNL     1       3.460  -3.478  -0.264  1.00  0.00           H  
HETATM   30  H   UNL     1       3.481  -4.033  -1.955  1.00  0.00           H  
HETATM   31  H   UNL     1       3.473  -1.557  -1.831  1.00  0.00           H  
HETATM   32  H   UNL     1       1.980  -2.164  -2.588  1.00  0.00           H  
HETATM   33  H   UNL     1       1.478  -0.396  -0.923  1.00  0.00           H  
HETATM   34  H   UNL     1       2.290  -1.354   0.339  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.894   3.446  -1.496  1.00  0.00           H  
HETATM   36  H   UNL     1       1.608   0.167   0.995  1.00  0.00           H  
HETATM   37  H   UNL     1       2.579   4.106  -0.323  1.00  0.00           H  
HETATM   38  H   UNL     1       0.303   4.414  -1.185  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.908  -0.660  -1.106  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.779  -1.655  -0.156  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.473  -0.471   1.909  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.602   0.524   0.959  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.778  -1.377   2.032  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.816  -1.521   0.259  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.687  -2.516   1.209  1.00  0.00           H  
CONECT    1    2    6   12   24                                       
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5   29   30                                       
CONECT    5    4    6   31   32                                       
CONECT    6    1    5   33   34                                       
CONECT    7    8   13   35                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   20                                       
CONECT   11   10   10   12   14                                       
CONECT   12    1   11   23   23                                       
CONECT   13    7   14   18   18                                       
CONECT   14   11   13   15   15                                       
CONECT   15   14   14   16   36                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   37                                       
CONECT   18   13   13   17   38                                       
CONECT   19   16                                                      
CONECT   20   10   21   39   40                                       
CONECT   21   20   22   41   42                                       
CONECT   22   21   43   44   45                                       
CONECT   23   12   12                                                 
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
