COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.408  -0.653   0.014  1.00  0.00           C  
HETATM    2  C   UNL     1       1.084  -0.243  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1       0.346  -1.518   0.016  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.123  -1.706   0.001  1.00  0.00           C  
HETATM    5  N   UNL     1       3.530   0.159   0.005  1.00  0.00           N  
HETATM    6  C   UNL     1       0.782   1.930  -1.205  1.00  0.00           C  
HETATM    7  C   UNL     1       0.273   3.211  -1.262  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.474   3.710  -0.204  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.201   1.643   0.980  1.00  0.00           C  
HETATM   10  N   UNL     1       1.268  -2.450   0.067  1.00  0.00           N  
HETATM   11  O   UNL     1       2.384  -1.994   0.066  1.00  0.00           O  
HETATM   12  C   UNL     1       0.545   1.136  -0.083  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.711   2.923   0.915  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.969  -0.599  -0.056  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.337  -0.778  -0.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.875  -2.059  -0.028  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.040  -3.164   0.029  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.666  -2.995   0.037  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.846  -4.077   0.092  1.00  0.00           O  
HETATM   20  O   UNL     1      -5.223  -2.228  -0.036  1.00  0.00           O  
HETATM   21 CL   UNL     1      -4.389   0.601  -0.140  1.00  0.00          Cl  
HETATM   22  O   UNL     1      -0.973   4.973  -0.263  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.733   5.423   0.861  1.00  0.00           C  
HETATM   24  C   UNL     1       4.759  -0.391   0.050  1.00  0.00           C  
HETATM   25  C   UNL     1       5.980   0.492   0.040  1.00  0.00           C  
HETATM   26  O   UNL     1       4.884  -1.596   0.099  1.00  0.00           O  
HETATM   27  C   UNL     1       7.239  -0.376   0.098  1.00  0.00           C  
HETATM   28  H   UNL     1       3.430   1.123  -0.034  1.00  0.00           H  
HETATM   29  H   UNL     1       1.359   1.540  -2.031  1.00  0.00           H  
HETATM   30  H   UNL     1       0.457   3.826  -2.130  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.387   1.031   1.850  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.292   3.315   1.736  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.554   0.397  -0.088  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.461  -4.158   0.062  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.599  -4.427  -0.775  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.623  -2.240   0.844  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.072   6.444   0.685  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.596   4.773   1.000  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.110   5.396   1.755  1.00  0.00           H  
HETATM   40  H   UNL     1       5.991   1.087  -0.873  1.00  0.00           H  
HETATM   41  H   UNL     1       5.956   1.156   0.905  1.00  0.00           H  
HETATM   42  H   UNL     1       7.228  -0.970   1.012  1.00  0.00           H  
HETATM   43  H   UNL     1       7.263  -1.039  -0.766  1.00  0.00           H  
HETATM   44  H   UNL     1       8.122   0.263   0.091  1.00  0.00           H  
CONECT    1    2    2   11    5                                       
CONECT    2   12    3    1    1                                       
CONECT    3    4    2   10   10                                       
CONECT    4   18   18   14    3                                       
CONECT    5    1   24   28                                            
CONECT    6    7   12   12   29                                       
CONECT    7    8    8    6   30                                       
CONECT    8   22    7    7   13                                       
CONECT    9   13   13   12   31                                       
CONECT   10    3    3   11                                            
CONECT   11   10    1                                                 
CONECT   12    6    6    9    2                                       
CONECT   13    8    9    9   32                                       
CONECT   14   15   15    4   33                                       
CONECT   15   16   21   14   14                                       
CONECT   16   20   17   17   15                                       
CONECT   17   16   16   18   34                                       
CONECT   18   17   19    4    4                                       
CONECT   19   18   35                                                 
CONECT   20   16   36                                                 
CONECT   21   15                                                      
CONECT   22   23    8                                                 
CONECT   23   22   37   38   39                                       
CONECT   24   25    5   26   26                                       
CONECT   25   27   24   40   41                                       
CONECT   26   24   24                                                 
CONECT   27   25   42   43   44                                       
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   17                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   23                                                      
CONECT   38   23                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   27                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
