COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.324  -1.228   0.536  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.780  -0.146   0.751  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.992   0.461   1.463  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.115   0.185  -0.562  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.049  -0.971   2.318  1.00  0.00           C  
HETATM    6  C   UNL     1       4.962   0.529  -0.569  1.00  0.00           C  
HETATM    7 CL   UNL     1      -7.921   1.344  -0.218  1.00  0.00          Cl  
HETATM    8 CL   UNL     1      -5.802   1.057  -2.487  1.00  0.00          Cl  
HETATM    9  N   UNL     1       4.834   3.507   1.580  1.00  0.00           N  
HETATM   10  C   UNL     1       4.712   2.184   1.148  1.00  0.00           C  
HETATM   11  C   UNL     1       4.220   1.213   2.010  1.00  0.00           C  
HETATM   12  C   UNL     1       4.106  -0.095   1.581  1.00  0.00           C  
HETATM   13  C   UNL     1       4.477  -0.437   0.294  1.00  0.00           C  
HETATM   14  C   UNL     1       4.350  -1.865  -0.171  1.00  0.00           C  
HETATM   15  C   UNL     1       2.966  -2.081  -0.785  1.00  0.00           C  
HETATM   16  N   UNL     1       1.939  -1.918   0.253  1.00  0.00           N  
HETATM   17  N   UNL     1       0.772  -1.450  -0.282  1.00  0.00           N  
HETATM   18  N   UNL     1      -1.478  -0.787   0.138  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.419  -0.640   1.069  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.728  -0.004   1.763  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.323   0.778   0.156  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.384   0.645  -0.853  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.371  -1.507   2.274  1.00  0.00           S  
HETATM   24  C   UNL     1       2.882  -3.472  -1.359  1.00  0.00           C  
HETATM   25  O   UNL     1       3.730  -3.849  -2.330  1.00  0.00           O  
HETATM   26  O   UNL     1       2.053  -4.247  -0.947  1.00  0.00           O  
HETATM   27  C   UNL     1       5.083   1.838  -0.145  1.00  0.00           C  
HETATM   28  N   UNL     1       5.609   2.869  -1.067  1.00  0.00           N  
HETATM   29  O   UNL     1       6.333   3.753  -0.644  1.00  0.00           O  
HETATM   30  O   UNL     1       5.317   2.835  -2.249  1.00  0.00           O  
HETATM   31  H   UNL     1      -6.728   0.567   2.246  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.383   0.081  -1.349  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.672  -0.918   3.198  1.00  0.00           H  
HETATM   34  H   UNL     1       5.251   0.259  -1.574  1.00  0.00           H  
HETATM   35  H   UNL     1       5.069   4.204   0.948  1.00  0.00           H  
HETATM   36  H   UNL     1       4.682   3.729   2.512  1.00  0.00           H  
HETATM   37  H   UNL     1       3.931   1.479   3.016  1.00  0.00           H  
HETATM   38  H   UNL     1       3.724  -0.851   2.251  1.00  0.00           H  
HETATM   39  H   UNL     1       5.116  -2.073  -0.919  1.00  0.00           H  
HETATM   40  H   UNL     1       4.480  -2.536   0.678  1.00  0.00           H  
HETATM   41  H   UNL     1       2.801  -1.350  -1.577  1.00  0.00           H  
HETATM   42  H   UNL     1       1.788  -2.782   0.751  1.00  0.00           H  
HETATM   43  H   UNL     1       0.711  -1.274  -1.233  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.474  -0.259   2.781  1.00  0.00           H  
HETATM   45  H   UNL     1       3.638  -4.750  -2.667  1.00  0.00           H  
CONECT    1   17   18   18   23                                       
CONECT    2   20   19    4    4                                       
CONECT    3   20   20   21   31                                       
CONECT    4    2    2   22   32                                       
CONECT    5   23   19   19   33                                       
CONECT    6   27   27   13   34                                       
CONECT    7   21                                                      
CONECT    8   22                                                      
CONECT    9   10   35   36                                            
CONECT   10    9   11   11   27                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   13   13   38                                       
CONECT   13   12   12    6   14                                       
CONECT   14   13   15   39   40                                       
CONECT   15   14   24   16   41                                       
CONECT   16   15   17   42                                            
CONECT   17   16    1   43                                            
CONECT   18    1    1   19                                            
CONECT   19   18    2    5    5                                       
CONECT   20    3    3    2   44                                       
CONECT   21    3    7   22   22                                       
CONECT   22   21   21    4    8                                       
CONECT   23    1    5                                                 
CONECT   24   26   26   15   25                                       
CONECT   25   24   45                                                 
CONECT   26   24   24                                                 
CONECT   27   10   28    6    6                                       
CONECT   28   29   29   27   30                                       
CONECT   28   30                                                      
CONECT   29   28   28                                                 
CONECT   30   28   28                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
