COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.088   0.835   1.404  1.00  0.00           C  
HETATM    2  C   UNL     1       4.220  -2.313  -0.313  1.00  0.00           C  
HETATM    3  C   UNL     1       6.383  -3.010  -1.087  1.00  0.00           C  
HETATM    4  C   UNL     1       4.488  -4.453  -1.367  1.00  0.00           C  
HETATM    5  C   UNL     1       1.191  -0.606   1.118  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.519   1.217   0.375  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.296   0.697  -0.659  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.015  -0.942  -1.417  1.00  0.00           C  
HETATM    9  C   UNL     1       0.404   3.886  -1.444  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.527   2.783  -1.173  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.639   2.257   0.126  1.00  0.00           C  
HETATM   12  C   UNL     1       1.737   0.583   1.566  1.00  0.00           C  
HETATM   13  C   UNL     1       3.898  -0.101   0.793  1.00  0.00           C  
HETATM   14  C   UNL     1       3.355  -1.303   0.345  1.00  0.00           C  
HETATM   15  C   UNL     1       5.582  -2.065  -0.479  1.00  0.00           C  
HETATM   16  C   UNL     1       5.838  -4.201  -1.529  1.00  0.00           C  
HETATM   17  C   UNL     1       3.677  -3.515  -0.761  1.00  0.00           C  
HETATM   18  C   UNL     1       1.995  -1.554   0.516  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.317   2.257  -2.208  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.192   1.219  -1.947  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.236  -0.417  -0.387  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.892  -1.975  -1.158  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.999  -2.490   0.123  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.228  -1.973   1.150  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.344  -0.943   0.900  1.00  0.00           C  
HETATM   26  N   UNL     1       0.130   2.780   1.158  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.012   5.163  -1.330  1.00  0.00           O  
HETATM   28  O   UNL     1       1.551   3.648  -1.772  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.413   1.076   2.859  1.00  0.00           O  
HETATM   30  O   UNL     1       1.564   2.577   3.157  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.222   2.767  -3.462  1.00  0.00           O  
HETATM   32  S   UNL     1       0.709   1.782   2.346  1.00  0.00           S  
HETATM   33 CL   UNL     1      -6.105  -3.790   0.443  1.00  0.00          Cl  
HETATM   34  H   UNL     1       3.508   1.767   1.751  1.00  0.00           H  
HETATM   35  H   UNL     1       7.438  -2.818  -1.217  1.00  0.00           H  
HETATM   36  H   UNL     1       4.068  -5.385  -1.715  1.00  0.00           H  
HETATM   37  H   UNL     1       0.137  -0.799   1.252  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.607   0.812   1.372  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.935  -0.537  -2.415  1.00  0.00           H  
HETATM   40  H   UNL     1       4.951   0.098   0.663  1.00  0.00           H  
HETATM   41  H   UNL     1       6.008  -1.135  -0.134  1.00  0.00           H  
HETATM   42  H   UNL     1       6.470  -4.938  -2.004  1.00  0.00           H  
HETATM   43  H   UNL     1       2.623  -3.713  -0.634  1.00  0.00           H  
HETATM   44  H   UNL     1       1.567  -2.482   0.167  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.796   0.812  -2.744  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.496  -2.382  -1.955  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.315  -2.378   2.147  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.742  -0.540   1.701  1.00  0.00           H  
HETATM   49  H   UNL     1       0.329   3.729   1.182  1.00  0.00           H  
HETATM   50  H   UNL     1       0.636   5.855  -1.518  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.558   2.331  -4.014  1.00  0.00           H  
CONECT    1   12   12   13   34                                       
CONECT    2   14   17   17   15                                       
CONECT    3   15   15   16   35                                       
CONECT    4   17   16   16   36                                       
CONECT    5   12   18   18   37                                       
CONECT    6    7   11   11   38                                       
CONECT    7   21   20   20    6                                       
CONECT    8   22   22   21   39                                       
CONECT    9   10   28   28   27                                       
CONECT   10   19   19   11    9                                       
CONECT   11    6    6   10   26                                       
CONECT   12   32    1    1    5                                       
CONECT   13    1   14   14   40                                       
CONECT   14   13   13   18    2                                       
CONECT   15    2    3    3   41                                       
CONECT   16    4    4    3   42                                       
CONECT   17    2    2    4   43                                       
CONECT   18    5    5   14   44                                       
CONECT   19   20   10   10   31                                       
CONECT   20    7    7   19   45                                       
CONECT   21    8    7   25   25                                       
CONECT   22    8    8   23   46                                       
CONECT   23   22   33   24   24                                       
CONECT   24   23   23   25   47                                       
CONECT   25   21   21   24   48                                       
CONECT   26   11   32   49                                            
CONECT   27    9   50                                                 
CONECT   28    9    9                                                 
CONECT   29   32   32                                                 
CONECT   30   32   32                                                 
CONECT   31   19   51                                                 
CONECT   32   26   29   29   30                                       
CONECT   32   30   12                                                 
CONECT   33   23                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40   13                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   31                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
