COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.790  -4.408  -0.105  1.00  0.00           C  
HETATM    2  C   UNL     1       6.812  -3.419  -0.667  1.00  0.00           C  
HETATM    3  C   UNL     1       5.315  -3.145  -0.826  1.00  0.00           C  
HETATM    4  O   UNL     1       4.751  -3.303  -2.130  1.00  0.00           O  
HETATM    5  C   UNL     1       4.715  -2.048   0.014  1.00  0.00           C  
HETATM    6  O   UNL     1       5.011  -1.951   1.186  1.00  0.00           O  
HETATM    7  N   UNL     1       3.849  -1.174  -0.537  1.00  0.00           N  
HETATM    8  C   UNL     1       3.209  -0.223   0.265  1.00  0.00           C  
HETATM    9  C   UNL     1       2.904   1.028  -0.250  1.00  0.00           C  
HETATM   10  C   UNL     1       2.873  -0.534   1.577  1.00  0.00           C  
HETATM   11  C   UNL     1       2.240   0.404   2.370  1.00  0.00           C  
HETATM   12  C   UNL     1       1.940   1.653   1.862  1.00  0.00           C  
HETATM   13  C   UNL     1       2.269   1.968   0.549  1.00  0.00           C  
HETATM   14  N   UNL     1       1.959   3.229   0.034  1.00  0.00           N  
HETATM   15  S   UNL     1       0.466   3.891   0.306  1.00  0.00           S  
HETATM   16  O   UNL     1       0.236   3.802   1.705  1.00  0.00           O  
HETATM   17  O   UNL     1       0.435   5.118  -0.410  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.719   2.837  -0.461  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.359   1.867   0.281  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.294   1.037  -0.329  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.143  -0.073   0.144  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.321  -0.698   1.374  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.219  -1.738   1.489  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.942  -2.159   0.384  1.00  0.00           C  
HETATM   25  N   UNL     1      -5.903  -3.276   0.518  1.00  0.00           N1+
HETATM   26  O   UNL     1      -6.057  -3.822   1.597  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.541  -3.651  -0.449  1.00  0.00           O1-
HETATM   28  C   UNL     1      -4.773  -1.546  -0.840  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.872  -0.497  -0.975  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.517   0.266  -2.033  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.587   1.184  -1.692  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.932   2.168  -2.423  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.011   2.989  -1.807  1.00  0.00           C  
HETATM   34  H   UNL     1       5.671  -5.359  -0.624  1.00  0.00           H  
HETATM   35  H   UNL     1       5.667  -4.446   0.978  1.00  0.00           H  
HETATM   36  H   UNL     1       7.363  -2.805   0.046  1.00  0.00           H  
HETATM   37  H   UNL     1       7.366  -3.719  -1.556  1.00  0.00           H  
HETATM   38  H   UNL     1       4.469  -2.473  -2.539  1.00  0.00           H  
HETATM   39  H   UNL     1       3.670  -1.204  -1.490  1.00  0.00           H  
HETATM   40  H   UNL     1       3.160   1.270  -1.271  1.00  0.00           H  
HETATM   41  H   UNL     1       3.106  -1.509   1.977  1.00  0.00           H  
HETATM   42  H   UNL     1       1.980   0.160   3.389  1.00  0.00           H  
HETATM   43  H   UNL     1       1.445   2.384   2.484  1.00  0.00           H  
HETATM   44  H   UNL     1       2.620   3.717  -0.483  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.135   1.751   1.331  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.758  -0.370   2.235  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.360  -2.226   2.442  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.342  -1.883  -1.694  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.148   2.292  -3.474  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.508   3.754  -2.381  1.00  0.00           H  
CONECT    1    2    3   34   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3    2    1    5    4                                       
CONECT    4    3   38                                                 
CONECT    5    6    6    3    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   39                                            
CONECT    8   10    7    9    9                                       
CONECT    9    8    8   13   40                                       
CONECT   10   11   11    8   41                                       
CONECT   11   10   10   12   42                                       
CONECT   12   11   13   13   43                                       
CONECT   13   12   12    9   14                                       
CONECT   14   13   15   44                                            
CONECT   15   14   16   16   17                                       
CONECT   15   17   18                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   33   33   19                                       
CONECT   19   18   20   20   45                                       
CONECT   20   19   19   31   21                                       
CONECT   21   20   29   29   22                                       
CONECT   22   21   23   23   46                                       
CONECT   23   22   22   24   47                                       
CONECT   24   28   28   23   25                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25                                                      
CONECT   28   29   24   24   48                                       
CONECT   29   30   21   21   28                                       
CONECT   30   31   29                                                 
CONECT   31   32   32   20   30                                       
CONECT   32   33   31   31   49                                       
CONECT   33   18   18   32   50                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   28                                                      
CONECT   49   32                                                      
CONECT   50   33                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
