COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.115  -0.668  -0.228  1.00  0.00           N  
HETATM    2  N   UNL     1       0.946   1.403   0.576  1.00  0.00           N  
HETATM    3  N   UNL     1      -0.903  -2.675  -0.984  1.00  0.00           N  
HETATM    4  N   UNL     1       7.319  -0.155   1.374  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.524   0.922  -1.522  1.00  0.00           N1+
HETATM    6  C   UNL     1      -2.129  -0.796  -0.036  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.952  -1.406  -0.430  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.064   0.509   0.301  1.00  0.00           C  
HETATM    9  C   UNL     1       2.281   1.023   0.412  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.421  -1.346  -0.132  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.579  -0.619   0.435  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.114   0.480  -0.239  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.194   1.153   0.295  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.745   0.742   1.495  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.220  -0.347   2.168  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.144  -1.032   1.642  1.00  0.00           C  
HETATM   17  C   UNL     1       3.250   1.980   0.142  1.00  0.00           C  
HETATM   18  C   UNL     1       4.568   1.601  -0.019  1.00  0.00           C  
HETATM   19  C   UNL     1       4.924   0.269   0.088  1.00  0.00           C  
HETATM   20  C   UNL     1       3.961  -0.688   0.357  1.00  0.00           C  
HETATM   21  C   UNL     1       2.642  -0.314   0.524  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.587  -2.422  -0.681  1.00  0.00           O  
HETATM   23  O   UNL     1       7.221   0.807  -0.896  1.00  0.00           O  
HETATM   24  O   UNL     1       6.589  -1.579  -0.504  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.919   1.944  -2.054  1.00  0.00           O  
HETATM   26  O   UNL     1      -3.644   0.263  -2.047  1.00  0.00           O1-
HETATM   27  S   UNL     1      -1.721   0.793   0.606  1.00  0.00           S  
HETATM   28  S   UNL     1       6.606  -0.212  -0.119  1.00  0.00           S  
HETATM   29  H   UNL     1       0.731   2.298   0.883  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.050  -3.058  -1.244  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.721  -3.180  -1.112  1.00  0.00           H  
HETATM   32  H   UNL     1       7.741   0.663   1.680  1.00  0.00           H  
HETATM   33  H   UNL     1       7.316  -0.940   1.944  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.609   2.004  -0.226  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.590   1.273   1.908  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.655  -0.662   3.104  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.734  -1.882   2.169  1.00  0.00           H  
HETATM   38  H   UNL     1       2.973   3.021   0.057  1.00  0.00           H  
HETATM   39  H   UNL     1       5.322   2.345  -0.229  1.00  0.00           H  
HETATM   40  H   UNL     1       4.242  -1.727   0.439  1.00  0.00           H  
HETATM   41  H   UNL     1       1.891  -1.061   0.734  1.00  0.00           H  
CONECT    1    7    8    8                                            
CONECT    2    8   29    9                                            
CONECT    3   30   31    7                                            
CONECT    4   28   32   33                                            
CONECT    5   25   25   26   12                                       
CONECT    6   10    7    7   27                                       
CONECT    7    1    6    6    3                                       
CONECT    8    2    1    1   27                                       
CONECT    9    2   17   17   21                                       
CONECT   10    6   22   22   11                                       
CONECT   11   10   12   12   16                                       
CONECT   12    5   11   11   13                                       
CONECT   13   12   34   14   14                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   11   37                                       
CONECT   17    9    9   38   18                                       
CONECT   18   17   39   19   19                                       
CONECT   19   18   18   20   28                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20    9   41                                       
CONECT   22   10   10                                                 
CONECT   23   28   28                                                 
CONECT   24   28   28                                                 
CONECT   25    5    5                                                 
CONECT   26    5                                                      
CONECT   27    8    6                                                 
CONECT   28    4   24   24   23                                       
CONECT   28   23   19                                                 
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
