COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.814   0.268   0.411  1.00  0.00           C  
HETATM    2 CL   UNL     1       4.731  -3.924   0.108  1.00  0.00          Cl  
HETATM    3  N   UNL     1      -5.624  -0.001   1.620  1.00  0.00           N1+
HETATM    4  O   UNL     1      -5.157   0.208   2.725  1.00  0.00           O1-
HETATM    5  O   UNL     1      -6.759  -0.431   1.510  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.529   0.754   0.534  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.770   1.006  -0.596  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.368   1.538  -0.454  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.427   0.418  -0.368  1.00  0.00           N  
HETATM   10  C   UNL     1       0.893   0.656  -0.237  1.00  0.00           C  
HETATM   11  C   UNL     1       1.840  -0.472  -0.151  1.00  0.00           C  
HETATM   12  C   UNL     1       1.373  -1.787  -0.206  1.00  0.00           C  
HETATM   13  C   UNL     1       2.263  -2.836  -0.126  1.00  0.00           C  
HETATM   14  C   UNL     1       3.621  -2.593   0.009  1.00  0.00           C  
HETATM   15  C   UNL     1       4.096  -1.296   0.065  1.00  0.00           C  
HETATM   16  C   UNL     1       3.215  -0.229  -0.020  1.00  0.00           C  
HETATM   17  O   UNL     1       3.680   1.044   0.030  1.00  0.00           O  
HETATM   18  C   UNL     1       5.093   1.214   0.164  1.00  0.00           C  
HETATM   19  C   UNL     1       5.421   2.685   0.201  1.00  0.00           C  
HETATM   20  O   UNL     1       4.536   3.503   0.120  1.00  0.00           O  
HETATM   21  O   UNL     1       6.696   3.085   0.324  1.00  0.00           O  
HETATM   22  O   UNL     1       1.304   1.799  -0.188  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.293   0.771  -1.855  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.577   0.283  -1.992  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.346   0.023  -0.857  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.677  -0.488  -0.992  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.733  -0.893  -1.099  1.00  0.00           N  
HETATM   28  H   UNL     1      -3.115   0.940   1.514  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.123   2.153  -1.319  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.298   2.141   0.452  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.754  -0.494  -0.407  1.00  0.00           H  
HETATM   32  H   UNL     1       0.316  -1.982  -0.311  1.00  0.00           H  
HETATM   33  H   UNL     1       1.900  -3.853  -0.169  1.00  0.00           H  
HETATM   34  H   UNL     1       5.155  -1.113   0.171  1.00  0.00           H  
HETATM   35  H   UNL     1       5.429   0.744   1.088  1.00  0.00           H  
HETATM   36  H   UNL     1       5.597   0.751  -0.684  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.695   0.969  -2.732  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.984   0.101  -2.976  1.00  0.00           H  
HETATM   39  H   UNL     1       6.857   4.039   0.343  1.00  0.00           H  
CONECT    1    3    6    6   25                                       
CONECT    2   14                                                      
CONECT    3    1    4    5    5                                       
CONECT    4    3                                                      
CONECT    5    3    3                                                 
CONECT    6    1    1    7   28                                       
CONECT    7    6    8   23   23                                       
CONECT    8    7    9   29   30                                       
CONECT    9    8   10   31                                            
CONECT   10    9   11   22   22                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   32                                       
CONECT   13   12   14   14   33                                       
CONECT   14    2   13   13   15                                       
CONECT   15   14   16   16   34                                       
CONECT   16   11   15   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   35   36                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   39                                                 
CONECT   22   10   10                                                 
CONECT   23    7    7   24   37                                       
CONECT   24   23   25   25   38                                       
CONECT   25    1   24   24   26                                       
CONECT   26   25   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
