COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.676   2.860  -0.250  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.649   1.809  -0.065  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.074  -0.423   0.104  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.368   1.112   0.277  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.603   3.337   0.150  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.300   3.051   0.340  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.134   1.717   0.425  1.00  0.00           N  
HETATM    8  C   UNL     1       1.785   0.720  -0.716  1.00  0.00           C  
HETATM    9  C   UNL     1       3.095   0.007  -0.499  1.00  0.00           C  
HETATM   10  C   UNL     1       3.128  -1.373  -0.432  1.00  0.00           C  
HETATM   11  C   UNL     1       4.329  -2.028  -0.233  1.00  0.00           C  
HETATM   12  C   UNL     1       5.499  -1.302  -0.100  1.00  0.00           C  
HETATM   13  C   UNL     1       5.466   0.081  -0.167  1.00  0.00           C  
HETATM   14  C   UNL     1       4.264   0.734  -0.372  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.502  -1.844   0.107  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.296  -4.500   0.111  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.549  -3.818  -0.232  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.846  -2.169  -0.069  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.970   2.518  -0.407  1.00  0.00           N  
HETATM   20  O   UNL     1      -4.352   4.032  -0.256  1.00  0.00           O  
HETATM   21  N   UNL     1      -3.987   0.519  -0.061  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.787  -0.141   0.274  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.306   2.147   0.105  1.00  0.00           C  
HETATM   24  O   UNL     1       0.592   3.874   0.422  1.00  0.00           O  
HETATM   25  C   UNL     1       1.139   1.025   0.637  1.00  0.00           C  
HETATM   26 CL   UNL     1       7.007  -2.124   0.151  1.00  0.00          Cl  
HETATM   27 CL   UNL     1       6.933   0.994   0.000  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -2.561  -2.857   0.279  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.962  -4.178   0.280  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.239  -3.497  -0.066  1.00  0.00           C  
HETATM   31  H   UNL     1      -1.982   4.225   0.057  1.00  0.00           H  
HETATM   32  H   UNL     1       1.963   1.652  -1.253  1.00  0.00           H  
HETATM   33  H   UNL     1       1.119   0.085  -1.302  1.00  0.00           H  
HETATM   34  H   UNL     1       2.214  -1.940  -0.535  1.00  0.00           H  
HETATM   35  H   UNL     1       4.354  -3.106  -0.180  1.00  0.00           H  
HETATM   36  H   UNL     1       4.238   1.813  -0.424  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.604  -5.535   0.113  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.049  -3.869   0.594  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.578  -1.387  -0.207  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.229   1.583  -0.398  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.643   3.206  -0.529  1.00  0.00           H  
HETATM   42  H   UNL     1       1.805   1.659   1.222  1.00  0.00           H  
HETATM   43  H   UNL     1       0.961   0.093   1.173  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.518  -2.609   0.411  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.232  -4.962   0.418  1.00  0.00           H  
CONECT    1   19    2   20   20                                       
CONECT    2   21    1   23   23                                       
CONECT    3   15   21   21   22                                       
CONECT    4   22   22   23    7                                       
CONECT    5   23    6   31                                            
CONECT    6    5    7   24   24                                       
CONECT    7    4    6   25                                            
CONECT    8    9   25   32   33                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   34                                       
CONECT   11   12   12   10   35                                       
CONECT   12   26   11   11   13                                       
CONECT   13   12   27   14   14                                       
CONECT   14   13   13    9   36                                       
CONECT   15   28   28   18    3                                       
CONECT   16   29   29   30   37                                       
CONECT   17   30   38                                                 
CONECT   18   30   30   15   39                                       
CONECT   19    1   40   41                                            
CONECT   20    1    1                                                 
CONECT   21    3    3    2                                            
CONECT   22    3    4    4                                            
CONECT   23    2    2    4    5                                       
CONECT   24    6    6                                                 
CONECT   25    8    7   42   43                                       
CONECT   26   12                                                      
CONECT   27   13                                                      
CONECT   28   29   15   15   44                                       
CONECT   29   16   16   28   45                                       
CONECT   30   16   17   18   18                                       
CONECT   31    5                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   25                                                      
CONECT   43   25                                                      
CONECT   44   28                                                      
CONECT   45   29                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
