COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.859   0.055   3.659  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.551   0.114   2.453  1.00  0.00           C  
HETATM    3  C   UNL     1       0.454  -0.075   3.379  1.00  0.00           C  
HETATM    4  S   UNL     1       1.670  -0.573   4.477  1.00  0.00           S  
HETATM    5  N   UNL     1       0.642   0.249   2.104  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.604   0.128   1.422  1.00  0.00           C  
HETATM    7  C   UNL     1       1.801   0.785   1.407  1.00  0.00           C  
HETATM    8  C   UNL     1       2.014   0.076   0.100  1.00  0.00           C  
HETATM    9  N   UNL     1       1.164   0.543  -0.947  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.056  -0.230  -1.062  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.976  -0.035   0.122  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.342  -0.022  -0.182  1.00  0.00           C  
HETATM   13 CL   UNL     1      -2.854  -0.173  -1.834  1.00  0.00          Cl  
HETATM   14  C   UNL     1      -3.287   0.109   0.815  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.902   0.173   2.139  1.00  0.00           C  
HETATM   16  C   UNL     1       3.470   0.269  -0.329  1.00  0.00           C  
HETATM   17  C   UNL     1       1.902   0.357  -2.203  1.00  0.00           C  
HETATM   18  C   UNL     1       1.018   0.727  -3.365  1.00  0.00           C  
HETATM   19  C   UNL     1       0.862  -0.108  -4.362  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.147   0.185  -5.441  1.00  0.00           C  
HETATM   21  C   UNL     1       1.692  -1.364  -4.429  1.00  0.00           C  
HETATM   22  H   UNL     1      -1.251   0.100   4.545  1.00  0.00           H  
HETATM   23  H   UNL     1       2.685   0.660   2.031  1.00  0.00           H  
HETATM   24  H   UNL     1       1.645   1.847   1.217  1.00  0.00           H  
HETATM   25  H   UNL     1       1.833  -0.988   0.247  1.00  0.00           H  
HETATM   26  H   UNL     1       0.200  -1.286  -1.139  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.581   0.070  -1.969  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.334   0.163   0.558  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.641   0.268   2.921  1.00  0.00           H  
HETATM   30  H   UNL     1       4.131  -0.009   0.491  1.00  0.00           H  
HETATM   31  H   UNL     1       3.680  -0.359  -1.194  1.00  0.00           H  
HETATM   32  H   UNL     1       3.636   1.314  -0.590  1.00  0.00           H  
HETATM   33  H   UNL     1       2.787   0.994  -2.202  1.00  0.00           H  
HETATM   34  H   UNL     1       2.206  -0.685  -2.295  1.00  0.00           H  
HETATM   35  H   UNL     1       0.512   1.681  -3.377  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.134  -0.616  -6.179  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.141   0.256  -5.000  1.00  0.00           H  
HETATM   38  H   UNL     1       0.103   1.129  -5.926  1.00  0.00           H  
HETATM   39  H   UNL     1       2.292  -1.452  -3.523  1.00  0.00           H  
HETATM   40  H   UNL     1       1.035  -2.230  -4.514  1.00  0.00           H  
HETATM   41  H   UNL     1       2.349  -1.320  -5.297  1.00  0.00           H  
CONECT    1    2    3   22                                            
CONECT    2    1    6    6   15                                       
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    7                                            
CONECT    6    2    2    5   11                                       
CONECT    7    5    8   23   24                                       
CONECT    8    7    9   16   25                                       
CONECT    9    8   10   17                                            
CONECT   10    9   11   26   27                                       
CONECT   11    6   10   12   12                                       
CONECT   12   11   11   13   14                                       
CONECT   13   12                                                      
CONECT   14   12   15   15   28                                       
CONECT   15    2   14   14   29                                       
CONECT   16    8   30   31   32                                       
CONECT   17    9   18   33   34                                       
CONECT   18   17   19   19   35                                       
CONECT   19   18   18   20   21                                       
CONECT   20   19   36   37   38                                       
CONECT   21   19   39   40   41                                       
CONECT   22    1                                                      
CONECT   23    7                                                      
CONECT   24    7                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   14                                                      
CONECT   29   15                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
