COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.388   0.409   1.481  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.546  -0.459   0.259  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.586  -0.592  -0.662  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.236   0.075  -0.638  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.236  -0.820   0.096  1.00  0.00           C  
HETATM    6  O   UNL     1       1.044  -0.187   0.118  1.00  0.00           O  
HETATM    7  P   UNL     1       2.338  -0.848   0.812  1.00  0.00           P  
HETATM    8  O   UNL     1       2.565  -2.197   0.247  1.00  0.00           O  
HETATM    9  O   UNL     1       2.094  -0.965   2.400  1.00  0.00           O  
HETATM   10  O   UNL     1       3.627   0.075   0.534  1.00  0.00           O  
HETATM   11  P   UNL     1       5.216  -0.182   0.573  1.00  0.00           P  
HETATM   12  O   UNL     1       5.711  -0.254   2.104  1.00  0.00           O  
HETATM   13  O   UNL     1       5.526  -1.460  -0.106  1.00  0.00           O  
HETATM   14  O   UNL     1       5.973   1.023  -0.179  1.00  0.00           O  
HETATM   15  P   UNL     1       7.434   1.189  -0.836  1.00  0.00           P  
HETATM   16  O   UNL     1       8.439   0.524   0.022  1.00  0.00           O  
HETATM   17  O   UNL     1       7.445   0.514  -2.298  1.00  0.00           O  
HETATM   18  O   UNL     1       7.789   2.754  -0.965  1.00  0.00           O  
HETATM   19  S   UNL     1      -3.180  -1.687  -1.908  1.00  0.00           S  
HETATM   20  C   UNL     1      -4.659  -1.857  -1.067  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.639  -1.153   0.015  1.00  0.00           N1+
HETATM   22  C   UNL     1      -5.783  -1.123   0.928  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.653   0.064   0.604  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.629  -0.014  -0.391  1.00  0.00           C  
HETATM   25  N   UNL     1      -7.817  -1.188  -1.102  1.00  0.00           N  
HETATM   26  N   UNL     1      -8.376   1.056  -0.646  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.200   2.175   0.029  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.066   3.366  -0.290  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.288   2.280   0.974  1.00  0.00           N  
HETATM   30  C   UNL     1      -6.509   1.255   1.289  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.736   1.417   1.258  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.975  -0.006   2.300  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.337   0.443   1.769  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.894   0.239  -1.660  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.313   1.033  -0.123  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.578  -0.984   1.118  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.160  -1.778  -0.419  1.00  0.00           H  
HETATM   38  H   UNL     1       1.938  -0.117   2.837  1.00  0.00           H  
HETATM   39  H   UNL     1       5.539   0.551   2.611  1.00  0.00           H  
HETATM   40  H   UNL     1       6.809   0.902  -2.915  1.00  0.00           H  
HETATM   41  H   UNL     1       8.657   2.930  -1.354  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.488  -2.468  -1.391  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.363  -2.040   0.815  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.427  -1.043   1.955  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.768   1.350   2.069  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.268  -1.965  -0.910  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.497  -1.234  -1.792  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.962   3.340   0.331  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.512   4.282  -0.089  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.352   3.337  -1.341  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3    3   21                                       
CONECT    3    2    2    4   19                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8    9                                       
CONECT    7   10                                                      
CONECT    8    7    7                                                 
CONECT    9    7   38                                                 
CONECT   10    7   11                                                 
CONECT   11   10   12   13   13                                       
CONECT   11   14                                                      
CONECT   12   11   39                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15                                                 
CONECT   15   14   16   16   17                                       
CONECT   15   18                                                      
CONECT   16   15   15                                                 
CONECT   17   15   40                                                 
CONECT   18   15   41                                                 
CONECT   19    3   20                                                 
CONECT   20   19   21   21   42                                       
CONECT   21    2   20   20   22                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   24   30   30                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   46   47                                            
CONECT   26   24   24   27                                            
CONECT   27   26   28   29   29                                       
CONECT   28   27   48   49   50                                       
CONECT   29   27   27   30                                            
CONECT   30   23   23   29   45                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   30                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
