COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.769   0.676  -0.236  1.00  0.00           C  
HETATM    2  C   UNL     1       3.713  -0.653  -0.633  1.00  0.00           C  
HETATM    3  C   UNL     1       4.846  -1.441  -0.569  1.00  0.00           C  
HETATM    4  C   UNL     1       6.036  -0.907  -0.111  1.00  0.00           C  
HETATM    5  C   UNL     1       6.096   0.417   0.287  1.00  0.00           C  
HETATM    6  C   UNL     1       4.966   1.210   0.225  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.595   1.493  -0.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.649   2.879  -0.102  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.480   3.616  -0.162  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.256   2.973  -0.184  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.198   1.587  -0.146  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.369   0.847  -0.085  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.781  -2.784  -0.798  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.884  -1.411  -0.938  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.642  -0.577   0.146  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.297  -1.118   1.373  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.192  -2.502   1.517  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.438  -3.333   0.422  1.00  0.00           C  
HETATM   19 CL   UNL     1      -6.093  -3.819  -2.156  1.00  0.00          Cl  
HETATM   20  O   UNL     1      -5.744   0.770   0.001  1.00  0.00           O  
HETATM   21 CL   UNL     1      -3.550   5.350  -0.211  1.00  0.00          Cl  
HETATM   22  O   UNL     1      -0.995   0.956  -0.168  1.00  0.00           O  
HETATM   23  C   UNL     1       0.170   1.781  -0.231  1.00  0.00           C  
HETATM   24  C   UNL     1       1.401   0.913  -0.247  1.00  0.00           C  
HETATM   25  N   UNL     1       2.624   1.477  -0.305  1.00  0.00           N  
HETATM   26  O   UNL     1       1.292  -0.294  -0.208  1.00  0.00           O  
HETATM   27  S   UNL     1       7.479  -1.915  -0.031  1.00  0.00           S  
HETATM   28  N   UNL     1       8.259  -1.770  -1.485  1.00  0.00           N  
HETATM   29  O   UNL     1       8.329  -1.322   0.941  1.00  0.00           O  
HETATM   30  O   UNL     1       7.025  -3.259   0.049  1.00  0.00           O  
HETATM   31 CL   UNL     1       5.043   2.871   0.723  1.00  0.00          Cl  
HETATM   32  C   UNL     1      -4.835  -3.068   2.783  1.00  0.00           C  
HETATM   33  N   UNL     1      -4.551  -3.517   3.787  1.00  0.00           N  
HETATM   34  H   UNL     1       2.783  -1.071  -0.991  1.00  0.00           H  
HETATM   35  H   UNL     1       4.802  -2.474  -0.878  1.00  0.00           H  
HETATM   36  H   UNL     1       7.027   0.831   0.645  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.604   3.383  -0.086  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.344   3.550  -0.232  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.325  -0.232  -0.055  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.153  -0.987  -1.894  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.108  -0.470   2.216  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.358  -4.405   0.529  1.00  0.00           H  
HETATM   43  H   UNL     1       0.139   2.385  -1.138  1.00  0.00           H  
HETATM   44  H   UNL     1       0.198   2.437   0.640  1.00  0.00           H  
HETATM   45  H   UNL     1       2.710   2.440  -0.394  1.00  0.00           H  
HETATM   46  H   UNL     1       7.889  -1.202  -2.179  1.00  0.00           H  
HETATM   47  H   UNL     1       9.085  -2.254  -1.643  1.00  0.00           H  
CONECT    1    2    2    6   25                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   27                                       
CONECT    5    4    6    6   36                                       
CONECT    6    1    5    5   31                                       
CONECT    7    8    8   12   20                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   10   10   21                                       
CONECT   10    9    9   11   38                                       
CONECT   11   10   12   12   22                                       
CONECT   12    7   11   11   39                                       
CONECT   13   14   14   18   19                                       
CONECT   14   13   13   15   40                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   41                                       
CONECT   17   16   18   18   32                                       
CONECT   18   13   17   17   42                                       
CONECT   19   13                                                      
CONECT   20    7   15                                                 
CONECT   21    9                                                      
CONECT   22   11   23                                                 
CONECT   23   22   24   43   44                                       
CONECT   24   23   25   26   26                                       
CONECT   25    1   24   45                                            
CONECT   26   24   24                                                 
CONECT   27    4   28   29   29                                       
CONECT   27   30   30                                                 
CONECT   28   27   46   47                                            
CONECT   29   27   27                                                 
CONECT   30   27   27                                                 
CONECT   31    6                                                      
CONECT   32   17   33   33   33                                       
CONECT   33   32   32   32                                            
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
