COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.516   0.062   5.851  1.00  0.00           S  
HETATM    2  C   UNL     1       0.764  -0.085   5.728  1.00  0.00           C  
HETATM    3  C   UNL     1       0.119   0.256   4.547  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.259   0.133   4.452  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.912   0.470   3.263  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.294   0.245   2.048  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.887   0.668   0.943  1.00  0.00           N  
HETATM    8  C   UNL     1      -1.321   0.475  -0.243  1.00  0.00           C  
HETATM    9  N   UNL     1      -1.926   0.915  -1.393  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.212   1.614  -1.314  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.351   0.712  -2.593  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.901   1.110  -3.605  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.066   0.015  -2.689  1.00  0.00           C  
HETATM   14  C   UNL     1       0.566  -0.207  -4.010  1.00  0.00           C  
HETATM   15  C   UNL     1       0.286  -1.366  -4.734  1.00  0.00           C  
HETATM   16 CL   UNL     1       1.794   2.189  -3.645  1.00  0.00          Cl  
HETATM   17  C   UNL     1       0.879  -1.568  -5.966  1.00  0.00           C  
HETATM   18  C   UNL     1       1.748  -0.623  -6.481  1.00  0.00           C  
HETATM   19  C   UNL     1       2.030   0.527  -5.768  1.00  0.00           C  
HETATM   20  C   UNL     1       1.439   0.744  -4.538  1.00  0.00           C  
HETATM   21 CL   UNL     1      -0.804  -2.553  -4.090  1.00  0.00          Cl  
HETATM   22  C   UNL     1       0.544  -0.427  -1.547  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.083  -0.199  -0.301  1.00  0.00           C  
HETATM   24  C   UNL     1       0.501  -0.634   0.897  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.129  -0.393   2.031  1.00  0.00           N  
HETATM   26  C   UNL     1      -1.990  -0.320   5.543  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.346  -0.654   6.719  1.00  0.00           C  
HETATM   28  C   UNL     1       0.026  -0.538   6.815  1.00  0.00           C  
HETATM   29  C   UNL     1       2.760  -0.497   7.559  1.00  0.00           C  
HETATM   30  H   UNL     1       0.690   0.609   3.701  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.798   0.862   3.291  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.539   1.888  -2.317  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.953   0.959  -0.856  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.099   2.514  -0.710  1.00  0.00           H  
HETATM   35  H   UNL     1       0.663  -2.465  -6.527  1.00  0.00           H  
HETATM   36  H   UNL     1       2.209  -0.785  -7.444  1.00  0.00           H  
HETATM   37  H   UNL     1       2.710   1.261  -6.175  1.00  0.00           H  
HETATM   38  H   UNL     1       1.491  -0.943  -1.597  1.00  0.00           H  
HETATM   39  H   UNL     1       1.448  -1.153   0.892  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.064  -0.412   5.471  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.917  -1.007   7.565  1.00  0.00           H  
HETATM   42  H   UNL     1       0.526  -0.800   7.736  1.00  0.00           H  
HETATM   43  H   UNL     1       3.822  -0.466   7.803  1.00  0.00           H  
HETATM   44  H   UNL     1       2.212   0.155   8.237  1.00  0.00           H  
HETATM   45  H   UNL     1       2.393  -1.519   7.662  1.00  0.00           H  
CONECT    1    2   29                                                 
CONECT    2    1    3    3   28                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    5   26   26                                       
CONECT    5    4    6   31                                            
CONECT    6    5    7    7   25                                       
CONECT    7    6    6    8                                            
CONECT    8    7    9   23   23                                       
CONECT    9    8   10   11                                            
CONECT   10    9   32   33   34                                       
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   22   22                                       
CONECT   14   13   15   20   20                                       
CONECT   15   14   17   17   21                                       
CONECT   16   20                                                      
CONECT   17   15   15   18   35                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   14   14   16   19                                       
CONECT   21   15                                                      
CONECT   22   13   13   23   38                                       
CONECT   23    8    8   22   24                                       
CONECT   24   23   25   25   39                                       
CONECT   25    6   24   24                                            
CONECT   26    4    4   27   40                                       
CONECT   27   26   28   28   41                                       
CONECT   28    2   27   27   42                                       
CONECT   29    1   43   44   45                                       
CONECT   30    3                                                      
CONECT   31    5                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   26                                                      
CONECT   41   27                                                      
CONECT   42   28                                                      
CONECT   43   29                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
