COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.002   1.257   0.061  1.00  0.00           C  
HETATM    2  C   UNL     1       3.146   1.539   0.927  1.00  0.00           C  
HETATM    3  C   UNL     1       4.873   0.242  -0.115  1.00  0.00           C  
HETATM    4  C   UNL     1       6.769   1.069  -1.481  1.00  0.00           C  
HETATM    5  C   UNL     1       6.994  -2.424  -1.235  1.00  0.00           C  
HETATM    6  C   UNL     1       3.969  -0.791  -0.324  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.217   0.310   1.220  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.602  -0.971  -0.186  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.428   0.186  -0.935  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.233   0.875  -0.800  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.280   0.364   0.081  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.375   1.194  -1.032  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.137   2.074  -0.828  1.00  0.00           C  
HETATM   14  C   UNL     1       0.818   0.653   1.171  1.00  0.00           C  
HETATM   15  C   UNL     1       2.248   0.508   0.718  1.00  0.00           C  
HETATM   16  C   UNL     1       4.457   1.409   0.513  1.00  0.00           C  
HETATM   17  C   UNL     1       2.659  -0.655   0.093  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.973   1.153   1.518  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.065   1.019   0.252  1.00  0.00           N  
HETATM   20  N   UNL     1      -1.318   1.485   0.243  1.00  0.00           N  
HETATM   21  N   UNL     1       6.199   0.108  -0.534  1.00  0.00           N  
HETATM   22  N   UNL     1      -5.537  -0.748   0.753  1.00  0.00           N  
HETATM   23  N   UNL     1      -6.646  -1.383   0.623  1.00  0.00           N  
HETATM   24  O   UNL     1       0.522   1.541  -0.995  1.00  0.00           O  
HETATM   25 CL   UNL     1      -9.081  -1.871  -0.311  1.00  0.00          Cl  
HETATM   26  O   UNL     1       6.467  -1.548   1.229  1.00  0.00           O  
HETATM   27  O   UNL     1       8.443  -0.608   0.076  1.00  0.00           O  
HETATM   28  S   UNL     1       7.126  -1.139   0.038  1.00  0.00           S  
HETATM   29  H   UNL     1       2.820   2.447   1.411  1.00  0.00           H  
HETATM   30  H   UNL     1       7.218   1.897  -0.932  1.00  0.00           H  
HETATM   31  H   UNL     1       7.531   0.577  -2.084  1.00  0.00           H  
HETATM   32  H   UNL     1       5.981   1.450  -2.131  1.00  0.00           H  
HETATM   33  H   UNL     1       7.372  -2.037  -2.182  1.00  0.00           H  
HETATM   34  H   UNL     1       7.581  -3.293  -0.938  1.00  0.00           H  
HETATM   35  H   UNL     1       5.950  -2.714  -1.352  1.00  0.00           H  
HETATM   36  H   UNL     1       4.289  -1.700  -0.812  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.915  -0.650   0.804  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.775   0.148   2.143  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.200   0.537  -1.603  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.046   1.780  -1.359  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.048   1.673  -1.744  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.071   0.221  -1.418  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.559   2.113  -1.751  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.445   3.079  -0.542  1.00  0.00           H  
HETATM   45  H   UNL     1       0.778   1.301   2.046  1.00  0.00           H  
HETATM   46  H   UNL     1       0.417  -0.328   1.427  1.00  0.00           H  
HETATM   47  H   UNL     1       5.157   2.215   0.676  1.00  0.00           H  
HETATM   48  H   UNL     1       1.955  -1.458  -0.069  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.265   2.071   2.029  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.286   0.584   2.145  1.00  0.00           H  
CONECT    1   20   14   24   24                                       
CONECT    2   15   15   16   29                                       
CONECT    3   16   16    6   21                                       
CONECT    4   21   30   31   32                                       
CONECT    5   28   33   34   35                                       
CONECT    6   17   17    3   36                                       
CONECT    7   19   18   37   38                                       
CONECT    8   25    9    9   23                                       
CONECT    9    8    8   10   39                                       
CONECT   10    9   11   11   40                                       
CONECT   11   10   10   22   19                                       
CONECT   12   19   13   41   42                                       
CONECT   13   12   20   43   44                                       
CONECT   14    1   15   45   46                                       
CONECT   15   14    2    2   17                                       
CONECT   16    2    3    3   47                                       
CONECT   17   15    6    6   48                                       
CONECT   18    7   20   49   50                                       
CONECT   19   11    7   12                                            
CONECT   20   18   13    1                                            
CONECT   21    3    4   28                                            
CONECT   22   23   23   11                                            
CONECT   23    8   22   22                                            
CONECT   24    1    1                                                 
CONECT   25    8                                                      
CONECT   26   28   28                                                 
CONECT   27   28   28                                                 
CONECT   28   21   26   26    5                                       
CONECT   28   27   27                                                 
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
