COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.997  -0.702  -1.963  1.00  0.00           O  
HETATM    2 CL   UNL     1      -8.598  -0.047   0.497  1.00  0.00          Cl  
HETATM    3  C   UNL     1       5.260  -3.890   0.777  1.00  0.00           C  
HETATM    4  C   UNL     1       5.774  -3.193  -0.300  1.00  0.00           C  
HETATM    5  C   UNL     1       4.276  -3.321   1.563  1.00  0.00           C  
HETATM    6  C   UNL     1       3.009   4.289   0.294  1.00  0.00           C  
HETATM    7  C   UNL     1       5.307  -1.924  -0.589  1.00  0.00           C  
HETATM    8  C   UNL     1       3.808  -2.053   1.274  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.031   0.312   1.276  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.361  -0.533  -0.947  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.782  -0.674  -1.731  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.449   0.174   0.511  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.664   0.277   1.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.995  -0.561  -1.144  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.145  -0.638  -1.541  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.812   0.203   0.701  1.00  0.00           C  
HETATM   17  C   UNL     1       3.006   3.090   0.907  1.00  0.00           C  
HETATM   18  C   UNL     1       4.709   3.198  -0.463  1.00  0.00           C  
HETATM   19  C   UNL     1       4.491   1.044   0.814  1.00  0.00           C  
HETATM   20  N   UNL     1       4.060   4.328  -0.537  1.00  0.00           N  
HETATM   21  N   UNL     1       2.367   0.074   0.085  1.00  0.00           N  
HETATM   22  C   UNL     1       1.539  -0.315  -0.905  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.879  -0.092   0.259  1.00  0.00           C  
HETATM   24  C   UNL     1       0.077  -0.271  -0.705  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.137  -0.161  -0.121  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.669  -0.199  -0.324  1.00  0.00           C  
HETATM   27  C   UNL     1       4.327  -1.353   0.200  1.00  0.00           C  
HETATM   28  C   UNL     1       3.818   0.031  -0.114  1.00  0.00           C  
HETATM   29  N   UNL     1       4.088   2.399   0.431  1.00  0.00           N  
HETATM   30  H   UNL     1       5.626  -4.881   1.003  1.00  0.00           H  
HETATM   31  H   UNL     1       6.540  -3.639  -0.917  1.00  0.00           H  
HETATM   32  H   UNL     1       3.871  -3.868   2.402  1.00  0.00           H  
HETATM   33  H   UNL     1       2.288   5.080   0.443  1.00  0.00           H  
HETATM   34  H   UNL     1       5.709  -1.380  -1.430  1.00  0.00           H  
HETATM   35  H   UNL     1       3.038  -1.608   1.887  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.440   0.651   2.217  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.026  -0.843  -1.738  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.376  -1.017  -2.671  1.00  0.00           H  
HETATM   39  H   UNL     1       0.213   0.486   1.305  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.003   0.589   1.888  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.593  -0.894  -2.089  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.809  -0.950  -2.334  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.219   0.537   1.644  1.00  0.00           H  
HETATM   44  H   UNL     1       2.288   2.741   1.635  1.00  0.00           H  
HETATM   45  H   UNL     1       5.600   2.946  -1.019  1.00  0.00           H  
HETATM   46  H   UNL     1       4.187   0.852   1.844  1.00  0.00           H  
HETATM   47  H   UNL     1       5.573   0.950   0.732  1.00  0.00           H  
HETATM   48  H   UNL     1       2.002   0.383   0.929  1.00  0.00           H  
HETATM   49  H   UNL     1       4.050   0.277  -1.150  1.00  0.00           H  
CONECT    1   22   22                                                 
CONECT    2   23                                                      
CONECT    3    5    5    4   30                                       
CONECT    4    3    7    7   31                                       
CONECT    5    3    3    8   32                                       
CONECT    6   20   17   17   33                                       
CONECT    7    4    4   27   34                                       
CONECT    8    5   27   27   35                                       
CONECT    9   23   23   13   36                                       
CONECT   10   23   14   14   37                                       
CONECT   11   15   15   24   38                                       
CONECT   12   16   24   24   39                                       
CONECT   13    9   25   25   40                                       
CONECT   14   10   10   25   41                                       
CONECT   15   11   11   26   42                                       
CONECT   16   12   26   26   43                                       
CONECT   17    6    6   29   44                                       
CONECT   18   20   20   29   45                                       
CONECT   19   29   28   46   47                                       
CONECT   20    6   18   18                                            
CONECT   21   28   22   48                                            
CONECT   22    1    1   21   24                                       
CONECT   23    2    9    9   10                                       
CONECT   24   11   12   12   22                                       
CONECT   25   13   13   14   26                                       
CONECT   26   15   16   16   25                                       
CONECT   27    7    8    8   28                                       
CONECT   28   19   21   27   49                                       
CONECT   29   17   18   19                                            
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   21                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
