COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.448  -2.006   0.077  1.00  0.00           C  
HETATM    2  C   UNL     1       2.589  -3.376   0.365  1.00  0.00           C  
HETATM    3  C   UNL     1       4.618  -2.569  -0.156  1.00  0.00           C  
HETATM    4  C   UNL     1       3.785  -1.520  -0.260  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.881   1.486  -0.256  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.515   1.817  -0.047  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.801   2.334  -0.092  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.316   0.441  -0.168  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.406  -0.402  -0.321  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.684   0.123  -0.370  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.108  -0.159  -1.134  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.570  -2.128  -1.201  1.00  0.00           O  
HETATM   13  N   UNL     1       3.913  -3.686   0.216  1.00  0.00           N  
HETATM   14  C   UNL     1       1.171  -1.429   0.156  1.00  0.00           C  
HETATM   15  C   UNL     1       0.327  -3.486   0.774  1.00  0.00           C  
HETATM   16  C   UNL     1       0.480   3.418   1.382  1.00  0.00           C  
HETATM   17  C   UNL     1       0.706   3.593  -1.021  1.00  0.00           C  
HETATM   18  O   UNL     1       1.847   5.161   0.419  1.00  0.00           O  
HETATM   19  N   UNL     1       0.980  -0.087  -0.124  1.00  0.00           N  
HETATM   20  C   UNL     1       1.724   4.295   1.550  1.00  0.00           C  
HETATM   21  C   UNL     1       1.947   4.469  -0.828  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.573  -1.397   0.933  1.00  0.00           N  
HETATM   23  S   UNL     1      -4.066  -0.950  -0.579  1.00  0.00           S  
HETATM   24 CL   UNL     1       4.214   0.101  -0.709  1.00  0.00          Cl  
HETATM   25  N   UNL     1       0.149  -2.204   0.507  1.00  0.00           N  
HETATM   26  N   UNL     1       1.503  -4.070   0.702  1.00  0.00           N  
HETATM   27  N   UNL     1       0.580   2.673   0.118  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.115  -0.392   1.850  1.00  0.00           C  
HETATM   29  H   UNL     1       5.681  -2.539  -0.341  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.882   1.890  -0.291  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.958   3.398   0.001  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.255  -1.467  -0.415  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.530  -4.080   1.055  1.00  0.00           H  
HETATM   34  H   UNL     1       0.414   2.717   2.213  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.409   4.047   1.363  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.180   4.226  -1.078  1.00  0.00           H  
HETATM   37  H   UNL     1       0.804   3.021  -1.943  1.00  0.00           H  
HETATM   38  H   UNL     1       1.744   0.487  -0.289  1.00  0.00           H  
HETATM   39  H   UNL     1       1.628   4.891   2.457  1.00  0.00           H  
HETATM   40  H   UNL     1       2.608   3.662   1.622  1.00  0.00           H  
HETATM   41  H   UNL     1       2.839   3.841  -0.825  1.00  0.00           H  
HETATM   42  H   UNL     1       2.013   5.191  -1.641  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.511  -2.324   1.211  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.360   0.371   2.040  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.995   0.071   1.404  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.393  -0.870   2.790  1.00  0.00           H  
HETATM   47  H   UNL     1       4.296  -4.566   0.353  1.00  0.00           H  
CONECT    1    2    2   14    4                                       
CONECT    2   26   13    1    1                                       
CONECT    3   13    4    4   29                                       
CONECT    4    3    3    1   24                                       
CONECT    5   10   10    7   30                                       
CONECT    6    8   27    7    7                                       
CONECT    7    6    6    5   31                                       
CONECT    8   19    9    9    6                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   23    5    5                                       
CONECT   11   23   23                                                 
CONECT   12   23   23                                                 
CONECT   13    2    3   47                                            
CONECT   14   25   25    1   19                                       
CONECT   15   26   26   25   33                                       
CONECT   16   20   27   34   35                                       
CONECT   17   27   21   36   37                                       
CONECT   18   20   21                                                 
CONECT   19   14    8   38                                            
CONECT   20   16   18   39   40                                       
CONECT   21   18   17   41   42                                       
CONECT   22   28   23   43                                            
CONECT   23   22   11   11   10                                       
CONECT   23   12   12                                                 
CONECT   24    4                                                      
CONECT   25   15   14   14                                            
CONECT   26   15   15    2                                            
CONECT   27   16    6   17                                            
CONECT   28   22   44   45   46                                       
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   13                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
