COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.552   4.879   1.128  1.00  0.00           C  
HETATM    2  N   UNL     1       2.085  -0.855   0.182  1.00  0.00           N1+
HETATM    3  S   UNL     1       2.019   1.884  -0.339  1.00  0.00           S  
HETATM    4 CL   UNL     1      -1.290  -0.832  -2.076  1.00  0.00          Cl  
HETATM    5  C   UNL     1       0.223   4.147  -0.175  1.00  0.00           C  
HETATM    6  N   UNL     1       3.489  -2.419  -0.273  1.00  0.00           N  
HETATM    7  C   UNL     1       0.487   2.673  -0.003  1.00  0.00           C  
HETATM    8  N   UNL     1       2.732  -2.795   0.848  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.403   1.792   0.421  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.472  -1.681   1.608  1.00  0.00           N  
HETATM   11  C   UNL     1       0.041   0.459   0.506  1.00  0.00           C  
HETATM   12  C   UNL     1       1.371   0.325   0.153  1.00  0.00           C  
HETATM   13  C   UNL     1       3.045  -1.206  -0.647  1.00  0.00           C  
HETATM   14  C   UNL     1       3.557  -0.393  -1.808  1.00  0.00           C  
HETATM   15  C   UNL     1       1.893  -1.824   1.087  1.00  0.00           C  
HETATM   16  C   UNL     1       0.865  -1.790   2.191  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.839  -0.660   0.903  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.251  -0.609   0.458  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.276  -0.482   1.394  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.590  -0.435   0.973  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.891  -0.513  -0.375  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.879  -0.639  -1.310  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.560  -0.681  -0.902  1.00  0.00           C  
HETATM   24  H   UNL     1       0.361   5.945   1.003  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.073   4.489   1.931  1.00  0.00           H  
HETATM   26  H   UNL     1       1.602   4.724   1.376  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.827   4.301  -0.424  1.00  0.00           H  
HETATM   28  H   UNL     1       0.848   4.536  -0.979  1.00  0.00           H  
HETATM   29  H   UNL     1       4.194  -2.934  -0.695  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.410   2.078   0.686  1.00  0.00           H  
HETATM   31  H   UNL     1       4.373   0.246  -1.473  1.00  0.00           H  
HETATM   32  H   UNL     1       3.917  -1.063  -2.589  1.00  0.00           H  
HETATM   33  H   UNL     1       2.750   0.225  -2.202  1.00  0.00           H  
HETATM   34  H   UNL     1       1.052  -0.931   2.835  1.00  0.00           H  
HETATM   35  H   UNL     1       0.933  -2.706   2.777  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.043  -0.422   2.447  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.384  -0.337   1.698  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.920  -0.476  -0.699  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.120  -0.700  -2.361  1.00  0.00           H  
CONECT    1    5   24   25   26                                       
CONECT    2   12   13   13   15                                       
CONECT    3    7   12                                                 
CONECT    4   23                                                      
CONECT    5    1    7   27   28                                       
CONECT    6    8   13   29                                            
CONECT    7    3    5    9    9                                       
CONECT    8    6   15   15                                            
CONECT    9    7    7   11   30                                       
CONECT   10   16   17   17                                            
CONECT   11    9   12   12   17                                       
CONECT   12    2    3   11   11                                       
CONECT   13    2    2    6   14                                       
CONECT   14   13   31   32   33                                       
CONECT   15    2    8    8   16                                       
CONECT   16   10   15   34   35                                       
CONECT   17   10   10   11   18                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   36                                       
CONECT   20   19   21   21   37                                       
CONECT   21   20   20   22   38                                       
CONECT   22   21   23   23   39                                       
CONECT   23    4   18   22   22                                       
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
