COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.732  -0.993  -0.016  1.00  0.00           C  
HETATM    2  C   UNL     1       3.107  -2.185   0.299  1.00  0.00           C  
HETATM    3  C   UNL     1       3.587  -2.965   1.335  1.00  0.00           C  
HETATM    4  C   UNL     1       4.692  -2.553   2.056  1.00  0.00           C  
HETATM    5  C   UNL     1       1.934   1.107  -0.648  1.00  0.00           C  
HETATM    6  C   UNL     1       2.336   2.344  -0.176  1.00  0.00           C  
HETATM    7  C   UNL     1       1.411   3.221   0.360  1.00  0.00           C  
HETATM    8  C   UNL     1       0.078   2.868   0.428  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.335   1.620  -0.048  1.00  0.00           C  
HETATM   10  C   UNL     1       0.605   0.740  -0.588  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.759   1.233   0.021  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.477  -0.373  -0.289  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.781  -1.721  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.816   0.157  -0.227  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.503   0.558  -0.380  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.701  -2.719   0.059  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.114  -2.110   0.112  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.120  -1.172   0.019  1.00  0.00           C  
HETATM   19  C   UNL     1       5.317  -1.361   1.741  1.00  0.00           C  
HETATM   20  C   UNL     1       4.841  -0.584   0.701  1.00  0.00           C  
HETATM   21  N   UNL     1      -2.153   0.029  -0.438  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.575   2.001   0.492  1.00  0.00           O  
HETATM   23  O   UNL     1      -3.002  -4.026   0.189  1.00  0.00           O  
HETATM   24  O   UNL     1      -1.540  -2.363   0.023  1.00  0.00           O  
HETATM   25  O   UNL     1       4.210   0.802  -1.773  1.00  0.00           O  
HETATM   26  O   UNL     1       2.403  -0.873  -2.197  1.00  0.00           O  
HETATM   27  S   UNL     1       3.120   0.001  -1.336  1.00  0.00           S  
HETATM   28 CL   UNL     1      -1.082   3.969   1.102  1.00  0.00          Cl  
HETATM   29  H   UNL     1       2.243  -2.507  -0.264  1.00  0.00           H  
HETATM   30  H   UNL     1       3.098  -3.896   1.581  1.00  0.00           H  
HETATM   31  H   UNL     1       5.067  -3.162   2.865  1.00  0.00           H  
HETATM   32  H   UNL     1       3.378   2.625  -0.226  1.00  0.00           H  
HETATM   33  H   UNL     1       1.732   4.185   0.727  1.00  0.00           H  
HETATM   34  H   UNL     1       0.294  -0.225  -0.957  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.610   0.885  -0.298  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.275   1.596  -0.571  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.357  -3.145   0.304  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.149  -1.474   0.138  1.00  0.00           H  
HETATM   39  H   UNL     1       6.181  -1.039   2.304  1.00  0.00           H  
HETATM   40  H   UNL     1       5.330   0.347   0.455  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.514  -0.557  -0.873  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.260  -4.643   0.250  1.00  0.00           H  
CONECT    1   20   20    2   27                                       
CONECT    2    3    3    1   29                                       
CONECT    3    4    2    2   30                                       
CONECT    4   19   19    3   31                                       
CONECT    5   27    6    6   10                                       
CONECT    6    5    5    7   32                                       
CONECT    7    6    8    8   33                                       
CONECT    8    7    7    9   28                                       
CONECT    9   10   10    8   11                                       
CONECT   10    5    9    9   34                                       
CONECT   11    9   21   22   22                                       
CONECT   12   21   15   15   13                                       
CONECT   13   12   16   17   17                                       
CONECT   14   15   18   18   35                                       
CONECT   15   12   12   14   36                                       
CONECT   16   24   24   13   23                                       
CONECT   17   13   13   18   37                                       
CONECT   18   14   14   17   38                                       
CONECT   19    4    4   20   39                                       
CONECT   20   19    1    1   40                                       
CONECT   21   11   12   41                                            
CONECT   22   11   11                                                 
CONECT   23   16   42                                                 
CONECT   24   16   16                                                 
CONECT   25   27   27                                                 
CONECT   26   27   27                                                 
CONECT   27    1   26   26   25                                       
CONECT   27   25    5                                                 
CONECT   28    8                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
