COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.267   0.587   1.148  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.727   0.058   0.061  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.693   0.745  -0.725  1.00  0.00           C  
HETATM    4  C   UNL     1       0.154  -0.308  -1.450  1.00  0.00           C  
HETATM    5  C   UNL     1       0.677  -1.321  -0.439  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.468  -2.020   0.282  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.319  -0.975   1.022  1.00  0.00           C  
HETATM    8  N   UNL     1       1.594  -0.692   0.512  1.00  0.00           N  
HETATM    9  C   UNL     1       2.736  -1.320   0.780  1.00  0.00           C  
HETATM   10  C   UNL     1       2.964  -2.636   0.063  1.00  0.00           C  
HETATM   11  S   UNL     1       1.722  -2.562  -1.291  1.00  0.00           S  
HETATM   12  O   UNL     1       3.549  -0.865   1.556  1.00  0.00           O  
HETATM   13  C   UNL     1       1.972   1.704   0.422  1.00  0.00           C  
HETATM   14  C   UNL     1       1.545   2.303  -0.704  1.00  0.00           C  
HETATM   15  C   UNL     1       2.506   3.287  -1.034  1.00  0.00           C  
HETATM   16  C   UNL     1       3.462   3.230  -0.090  1.00  0.00           C  
HETATM   17  O   UNL     1       3.131   2.273   0.792  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.028   0.374  -0.094  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.078  -0.338   0.719  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.353   1.232  -0.887  1.00  0.00           O  
HETATM   21  H   UNL     1       0.190   0.749   1.105  1.00  0.00           H  
HETATM   22  H   UNL     1       1.590   0.569   2.188  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.164   1.401  -1.457  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.059   1.333  -0.061  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.458  -0.819  -2.193  1.00  0.00           H  
HETATM   26  H   UNL     1       0.995   0.179  -1.944  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.089  -2.549  -0.441  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.060  -2.732   1.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.731  -0.525   1.822  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.204  -1.454   1.441  1.00  0.00           H  
HETATM   31  H   UNL     1       3.975  -2.687  -0.341  1.00  0.00           H  
HETATM   32  H   UNL     1       2.766  -3.479   0.725  1.00  0.00           H  
HETATM   33  H   UNL     1       0.642   2.076  -1.251  1.00  0.00           H  
HETATM   34  H   UNL     1       2.477   3.956  -1.881  1.00  0.00           H  
HETATM   35  H   UNL     1       4.345   3.850  -0.047  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.040  -1.406   0.505  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.891  -0.172   1.780  1.00  0.00           H  
HETATM   38 CL   UNL     1      -5.708   0.303   0.288  1.00  0.00          Cl  
CONECT    1    8   13   21   22                                       
CONECT    2    7   18    3                                            
CONECT    3    2    4   23   24                                       
CONECT    4    5    3   25   26                                       
CONECT    5    6    8   11    4                                       
CONECT    6    7    5   27   28                                       
CONECT    7    6    2   29   30                                       
CONECT    8    9    1    5                                            
CONECT    9   12   12   10    8                                       
CONECT   10    9   11   31   32                                       
CONECT   11   10    5                                                 
CONECT   12    9    9                                                 
CONECT   13    1   14   14   17                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   13   16                                                 
CONECT   18   20   20    2   19                                       
CONECT   19   18   36   37   38                                       
CONECT   20   18   18                                                 
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    3                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    4                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
