COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.822  -0.790  -0.146  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.483  -1.461  -0.310  1.00  0.00           C  
HETATM    3  C   UNL     1       0.609  -0.397  -0.439  1.00  0.00           C  
HETATM    4  C   UNL     1       1.968  -1.078  -0.606  1.00  0.00           C  
HETATM    5  C   UNL     1       3.060  -0.014  -0.735  1.00  0.00           C  
HETATM    6  C   UNL     1       4.420  -0.695  -0.902  1.00  0.00           C  
HETATM    7  C   UNL     1       6.760  -1.347   0.433  1.00  0.00           C  
HETATM    8  C   UNL     1       5.544   0.347  -1.078  1.00  0.00           C  
HETATM    9  C   UNL     1       6.838  -0.013  -0.340  1.00  0.00           C  
HETATM   10  C   UNL     1       6.011   1.959   0.482  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.896   0.421  -0.133  1.00  0.00           O  
HETATM   12  O   UNL     1       5.910   2.969   1.152  1.00  0.00           O  
HETATM   13  N   UNL     1       7.020   1.088   0.619  1.00  0.00           N  
HETATM   14  N   UNL     1       5.124   1.616  -0.462  1.00  0.00           N  
HETATM   15  S   UNL     1       4.938  -1.532   0.660  1.00  0.00           S  
HETATM   16  N   UNL     1      -2.937  -1.535  -0.013  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.192  -0.916   0.024  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.420   0.239  -0.713  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.659   0.848  -0.674  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.672   0.309   0.099  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.446  -0.838   0.838  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.211  -1.454   0.799  1.00  0.00           C  
HETATM   23  N   UNL     1      -7.998   0.964   0.139  1.00  0.00           N1+
HETATM   24  O   UNL     1      -8.893   0.487   0.814  1.00  0.00           O  
HETATM   25  O   UNL     1      -8.197   1.977  -0.508  1.00  0.00           O1-
HETATM   26  H   UNL     1      -0.280  -2.086   0.560  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.494  -2.080  -1.207  1.00  0.00           H  
HETATM   28  H   UNL     1       0.406   0.228  -1.309  1.00  0.00           H  
HETATM   29  H   UNL     1       0.620   0.222   0.458  1.00  0.00           H  
HETATM   30  H   UNL     1       2.171  -1.703   0.264  1.00  0.00           H  
HETATM   31  H   UNL     1       1.957  -1.697  -1.503  1.00  0.00           H  
HETATM   32  H   UNL     1       2.858   0.611  -1.605  1.00  0.00           H  
HETATM   33  H   UNL     1       3.072   0.605   0.162  1.00  0.00           H  
HETATM   34  H   UNL     1       4.403  -1.398  -1.735  1.00  0.00           H  
HETATM   35  H   UNL     1       7.269  -1.273   1.394  1.00  0.00           H  
HETATM   36  H   UNL     1       7.166  -2.167  -0.160  1.00  0.00           H  
HETATM   37  H   UNL     1       5.747   0.496  -2.139  1.00  0.00           H  
HETATM   38  H   UNL     1       7.669  -0.036  -1.044  1.00  0.00           H  
HETATM   39  H   UNL     1       7.753   1.170   1.250  1.00  0.00           H  
HETATM   40  H   UNL     1       4.332   2.123  -0.701  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.871  -2.500   0.056  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.630   0.660  -1.316  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.837   1.746  -1.247  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.239  -1.256   1.440  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.036  -2.353   1.373  1.00  0.00           H  
CONECT    1    2   11   11   16                                       
CONECT    2    1    3   26   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    8   15   34                                       
CONECT    7    9   15   35   36                                       
CONECT    8    6    9   14   37                                       
CONECT    9    7    8   13   38                                       
CONECT   10   12   12   13   14                                       
CONECT   11    1    1                                                 
CONECT   12   10   10                                                 
CONECT   13    9   10   39                                            
CONECT   14    8   10   40                                            
CONECT   15    6    7                                                 
CONECT   16    1   17   41                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   44                                       
CONECT   22   17   21   21   45                                       
CONECT   23   20   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
