COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.387  -0.055  -0.875  1.00  0.00           C  
HETATM    2  C   UNL     1       1.946  -0.588  -0.922  1.00  0.00           C  
HETATM    3  C   UNL     1       1.024   0.415  -0.222  1.00  0.00           C  
HETATM    4  C   UNL     1       1.574   0.711   1.220  1.00  0.00           C  
HETATM    5  C   UNL     1       3.040   1.156   1.093  1.00  0.00           C  
HETATM    6  C   UNL     1       3.129   2.227  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1       3.358   1.430  -1.318  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.385   0.679  -0.141  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.747   0.115  -0.051  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.857   0.960  -0.052  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.132   0.423   0.025  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.302  -0.951   0.117  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.203  -1.790   0.124  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.929  -1.267   0.041  1.00  0.00           C  
HETATM   15  C   UNL     1       1.876  -1.918  -0.217  1.00  0.00           C  
HETATM   16  C   UNL     1       5.250   0.244   0.656  1.00  0.00           C  
HETATM   17  N   UNL     1       3.805   0.002   0.550  1.00  0.00           N1+
HETATM   18  O   UNL     1      -0.315  -0.139  -0.134  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.230   1.881  -0.221  1.00  0.00           O  
HETATM   20  O   UNL     1       0.847  -2.259   0.342  1.00  0.00           O1-
HETATM   21  O   UNL     1       2.849  -2.653  -0.205  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.216   1.243   0.018  1.00  0.00           O  
HETATM   23  H   UNL     1       4.065  -0.653  -1.484  1.00  0.00           H  
HETATM   24  H   UNL     1       1.634  -0.708  -1.959  1.00  0.00           H  
HETATM   25  H   UNL     1       0.995   1.342  -0.795  1.00  0.00           H  
HETATM   26  H   UNL     1       1.511  -0.192   1.827  1.00  0.00           H  
HETATM   27  H   UNL     1       0.985   1.504   1.680  1.00  0.00           H  
HETATM   28  H   UNL     1       3.445   1.510   2.041  1.00  0.00           H  
HETATM   29  H   UNL     1       2.198   2.791  -0.076  1.00  0.00           H  
HETATM   30  H   UNL     1       3.968   2.898   0.169  1.00  0.00           H  
HETATM   31  H   UNL     1       2.539   1.601  -2.017  1.00  0.00           H  
HETATM   32  H   UNL     1       4.309   1.709  -1.772  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.723   2.030  -0.124  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.297  -1.367   0.182  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.342  -2.859   0.196  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.073  -1.925   0.046  1.00  0.00           H  
HETATM   37  H   UNL     1       5.530   0.322   1.707  1.00  0.00           H  
HETATM   38  H   UNL     1       5.792  -0.582   0.196  1.00  0.00           H  
HETATM   39  H   UNL     1       5.502   1.173   0.144  1.00  0.00           H  
HETATM   40  H   UNL     1       3.553  -0.849   1.029  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.402   1.469   0.939  1.00  0.00           H  
CONECT    1    2    7   17   23                                       
CONECT    2    1    3   15   24                                       
CONECT    3    2    4   18   25                                       
CONECT    4    3    5   26   27                                       
CONECT    5    4    6   17   28                                       
CONECT    6    5    7   29   30                                       
CONECT    7    1    6   31   32                                       
CONECT    8    9   18   19   19                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   33                                       
CONECT   11   10   12   12   22                                       
CONECT   12   11   11   13   34                                       
CONECT   13   12   14   14   35                                       
CONECT   14    9   13   13   36                                       
CONECT   15    2   20   21   21                                       
CONECT   16   17   37   38   39                                       
CONECT   17    1    5   16   40                                       
CONECT   18    3    8                                                 
CONECT   19    8    8                                                 
CONECT   20   15                                                      
CONECT   21   15   15                                                 
CONECT   22   11   41                                                 
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
