COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.482  -0.821   3.672  1.00  0.00           C  
HETATM    2  O   UNL     1       2.053  -0.971   4.732  1.00  0.00           O  
HETATM    3  C   UNL     1       0.090  -0.360   3.649  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.584  -0.091   4.847  1.00  0.00           C  
HETATM    5 CL   UNL     1       0.222  -0.310   6.368  1.00  0.00          Cl  
HETATM    6  C   UNL     1      -1.893   0.340   4.816  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.543   0.517   3.605  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.890   0.263   2.415  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.573  -0.172   2.423  1.00  0.00           C  
HETATM   10  N   UNL     1       0.086  -0.428   1.225  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.235   0.268   0.117  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.165   1.046   0.138  1.00  0.00           O  
HETATM   13  C   UNL     1       0.560   0.079  -1.148  1.00  0.00           C  
HETATM   14  C   UNL     1       1.810   0.960  -1.101  1.00  0.00           C  
HETATM   15  C   UNL     1       2.689   0.665  -2.318  1.00  0.00           C  
HETATM   16  C   UNL     1       1.396   2.433  -1.116  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.260   0.457  -2.302  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.066  -0.143  -3.492  1.00  0.00           C  
HETATM   19  O   UNL     1       0.789  -0.998  -3.609  1.00  0.00           O  
HETATM   20  O   UNL     1      -0.820   0.204  -4.552  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.611  -0.443  -5.835  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.590   0.130  -6.861  1.00  0.00           C  
HETATM   23  C   UNL     1       0.823  -0.193  -6.305  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.846  -1.947  -5.691  1.00  0.00           C  
HETATM   25  H   UNL     1       1.999  -1.026   2.746  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.414   0.543   5.740  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.568   0.857   3.592  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.405   0.404   1.477  1.00  0.00           H  
HETATM   29  H   UNL     1       0.777  -1.108   1.187  1.00  0.00           H  
HETATM   30  H   UNL     1       0.856  -0.965  -1.239  1.00  0.00           H  
HETATM   31  H   UNL     1       2.369   0.749  -0.189  1.00  0.00           H  
HETATM   32  H   UNL     1       3.579   1.293  -2.284  1.00  0.00           H  
HETATM   33  H   UNL     1       2.983  -0.383  -2.307  1.00  0.00           H  
HETATM   34  H   UNL     1       2.130   0.876  -3.229  1.00  0.00           H  
HETATM   35  H   UNL     1       0.752   2.621  -1.975  1.00  0.00           H  
HETATM   36  H   UNL     1       0.857   2.669  -0.198  1.00  0.00           H  
HETATM   37  H   UNL     1       2.286   3.060  -1.185  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.942   1.140  -2.208  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.433  -0.355  -7.824  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.612  -0.046  -6.527  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.422   1.202  -6.964  1.00  0.00           H  
HETATM   42  H   UNL     1       0.991   0.878  -6.407  1.00  0.00           H  
HETATM   43  H   UNL     1       1.521  -0.602  -5.574  1.00  0.00           H  
HETATM   44  H   UNL     1       0.980  -0.679  -7.268  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.868  -2.125  -5.357  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.690  -2.433  -6.654  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.149  -2.356  -4.960  1.00  0.00           H  
CONECT    1    2    2    3   25                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    4    9                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4                                                      
CONECT    6    4    7    7   26                                       
CONECT    7    6    6    8   27                                       
CONECT    8    7    9    9   28                                       
CONECT    9    3    8    8   10                                       
CONECT   10    9   11   29                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   17   30                                       
CONECT   14   13   15   16   31                                       
CONECT   15   14   32   33   34                                       
CONECT   16   14   35   36   37                                       
CONECT   17   13   18   38                                            
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   22   23   24                                       
CONECT   22   21   39   40   41                                       
CONECT   23   21   42   43   44                                       
CONECT   24   21   45   46   47                                       
CONECT   25    1                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   22                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
