COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       2.852   2.812   0.138  1.00  0.00          Cl  
HETATM    2  C   UNL     1       1.163   2.411   0.179  1.00  0.00           C  
HETATM    3  C   UNL     1       0.137   3.274   0.250  1.00  0.00           C  
HETATM    4  C   UNL     1       0.268   4.775   0.309  1.00  0.00           C  
HETATM    5  C   UNL     1       0.388   5.332  -1.111  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.051   2.584   0.262  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.811   1.239   0.197  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.588   0.157   0.173  1.00  0.00           N  
HETATM    9  C   UNL     1       0.584   1.068   0.136  1.00  0.00           C  
HETATM   10  C   UNL     1       1.103  -0.234   0.061  1.00  0.00           C  
HETATM   11  N   UNL     1       2.468  -0.449   0.000  1.00  0.00           N  
HETATM   12  C   UNL     1       2.931  -1.265   1.152  1.00  0.00           C  
HETATM   13  C   UNL     1       4.277  -1.863   0.689  1.00  0.00           C  
HETATM   14  C   UNL     1       4.252  -3.183  -0.084  1.00  0.00           C  
HETATM   15  N   UNL     1       5.499  -3.958  -0.140  1.00  0.00           N  
HETATM   16  C   UNL     1       4.208  -1.860  -0.852  1.00  0.00           C  
HETATM   17  C   UNL     1       2.826  -1.262  -1.191  1.00  0.00           C  
HETATM   18  N   UNL     1       0.253  -1.255   0.051  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.058  -1.052   0.094  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.133  -2.448   0.079  1.00  0.00           S  
HETATM   21  C   UNL     1      -3.693  -1.633  -0.010  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.315  -1.413  -1.236  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.486  -0.798  -1.259  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.062  -0.396  -0.144  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.506  -0.586   1.036  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.338  -1.198   1.145  1.00  0.00           C  
HETATM   27  H   UNL     1      -0.613   5.198   0.792  1.00  0.00           H  
HETATM   28  H   UNL     1       1.158   5.040   0.879  1.00  0.00           H  
HETATM   29  H   UNL     1       1.269   4.908  -1.594  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.502   5.067  -1.682  1.00  0.00           H  
HETATM   31  H   UNL     1       0.483   6.417  -1.069  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.931   2.990   0.309  1.00  0.00           H  
HETATM   33  H   UNL     1       3.076  -0.636   2.030  1.00  0.00           H  
HETATM   34  H   UNL     1       2.214  -2.058   1.367  1.00  0.00           H  
HETATM   35  H   UNL     1       5.176  -1.557   1.225  1.00  0.00           H  
HETATM   36  H   UNL     1       3.336  -3.772  -0.044  1.00  0.00           H  
HETATM   37  H   UNL     1       5.374  -4.806  -0.672  1.00  0.00           H  
HETATM   38  H   UNL     1       6.253  -3.403  -0.517  1.00  0.00           H  
HETATM   39  H   UNL     1       5.061  -1.566  -1.464  1.00  0.00           H  
HETATM   40  H   UNL     1       2.095  -2.055  -1.343  1.00  0.00           H  
HETATM   41  H   UNL     1       2.893  -0.630  -2.076  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.849  -1.738  -2.154  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.016   0.107  -0.199  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.888  -1.351   2.115  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    9    3    3    1                                       
CONECT    3    6    2    2    4                                       
CONECT    4    3    5   27   28                                       
CONECT    5    4   29   30   31                                       
CONECT    6    7    3   32                                            
CONECT    7    8    8    9    6                                       
CONECT    8   19    7    7                                            
CONECT    9   10   10    7    2                                       
CONECT   10   18   11    9    9                                       
CONECT   11   12   10   17                                            
CONECT   12   13   11   33   34                                       
CONECT   13   14   12   16   35                                       
CONECT   14   15   13   16   36                                       
CONECT   15   14   37   38                                            
CONECT   16   14   13   17   39                                       
CONECT   17   16   11   40   41                                       
CONECT   18   19   19   10                                            
CONECT   19   20   18   18    8                                       
CONECT   20   21   19                                                 
CONECT   21   26   26   22   20                                       
CONECT   22   23   23   21   42                                       
CONECT   23   24   22   22                                            
CONECT   24   25   25   23   43                                       
CONECT   25   24   24   26                                            
CONECT   26   25   21   21   44                                       
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   22                                                      
CONECT   43   24                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
