COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.194   0.969  -0.327  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.740  -1.383  -0.030  1.00  0.00           C  
HETATM    3  C   UNL     1       1.397   3.454  -0.554  1.00  0.00           C  
HETATM    4  C   UNL     1       1.514   4.719  -0.004  1.00  0.00           C  
HETATM    5  C   UNL     1       1.556   4.874   1.369  1.00  0.00           C  
HETATM    6  C   UNL     1       1.481   3.766   2.193  1.00  0.00           C  
HETATM    7  C   UNL     1       1.363   2.503   1.644  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.358   0.975   0.538  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.295   1.977   0.712  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.637   1.710   0.515  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.043   0.442   0.143  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.106  -0.560  -0.031  1.00  0.00           C  
HETATM   13  C   UNL     1       1.734  -3.485  -0.148  1.00  0.00           C  
HETATM   14  C   UNL     1       1.967  -2.174   0.224  1.00  0.00           C  
HETATM   15  C   UNL     1       0.907  -1.291   0.354  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.391  -1.728   0.110  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.619  -3.043  -0.262  1.00  0.00           C  
HETATM   18  C   UNL     1       0.443  -3.918  -0.390  1.00  0.00           C  
HETATM   19  C   UNL     1       3.375  -1.705   0.488  1.00  0.00           C  
HETATM   20  C   UNL     1       4.043  -1.361  -0.819  1.00  0.00           C  
HETATM   21  O   UNL     1       1.135  -0.002   0.720  1.00  0.00           O  
HETATM   22  O   UNL     1      -1.435  -0.865   0.237  1.00  0.00           O  
HETATM   23  C   UNL     1       1.322   2.346   0.271  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.762  -0.292   0.161  1.00  0.00           C  
HETATM   25 CL   UNL     1       1.337   3.260  -2.278  1.00  0.00          Cl  
HETATM   26 CL   UNL     1      -5.615  -2.153  -0.498  1.00  0.00          Cl  
HETATM   27  O   UNL     1       4.979  -2.017  -1.210  1.00  0.00           O  
HETATM   28  O   UNL     1       3.598  -0.325  -1.548  1.00  0.00           O  
HETATM   29  O   UNL     1       4.109  -2.744   1.138  1.00  0.00           O  
HETATM   30  C   UNL     1       5.136  -2.270   2.012  1.00  0.00           C  
HETATM   31  H   UNL     1       2.058   0.767  -0.961  1.00  0.00           H  
HETATM   32  H   UNL     1       0.284   0.915  -0.925  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.785  -1.747  -1.056  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.953  -2.203   0.656  1.00  0.00           H  
HETATM   35  H   UNL     1       1.573   5.584  -0.647  1.00  0.00           H  
HETATM   36  H   UNL     1       1.647   5.860   1.798  1.00  0.00           H  
HETATM   37  H   UNL     1       1.514   3.887   3.265  1.00  0.00           H  
HETATM   38  H   UNL     1       1.305   1.637   2.287  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.310   1.184   0.692  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.979   2.967   1.003  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.369   2.493   0.652  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.092   0.234  -0.010  1.00  0.00           H  
HETATM   43  H   UNL     1       2.561  -4.171  -0.253  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.626  -3.384  -0.452  1.00  0.00           H  
HETATM   45  H   UNL     1       0.265  -4.943  -0.681  1.00  0.00           H  
HETATM   46  H   UNL     1       3.350  -0.822   1.127  1.00  0.00           H  
HETATM   47  H   UNL     1       4.058  -0.143  -2.378  1.00  0.00           H  
HETATM   48  H   UNL     1       5.646  -3.119   2.467  1.00  0.00           H  
HETATM   49  H   UNL     1       5.853  -1.678   1.443  1.00  0.00           H  
HETATM   50  H   UNL     1       4.693  -1.652   2.793  1.00  0.00           H  
CONECT    1   21   23   31   32                                       
CONECT    2   22   24   33   34                                       
CONECT    3   23   23    4   25                                       
CONECT    4    3    5    5   35                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   37                                       
CONECT    7   23    6    6   38                                       
CONECT    8   24   24    9   39                                       
CONECT    9    8   10   10   40                                       
CONECT   10    9    9   11   41                                       
CONECT   11   10   12   12   42                                       
CONECT   12   24   11   11   26                                       
CONECT   13   14   14   18   43                                       
CONECT   14   13   13   15   19                                       
CONECT   15   14   16   16   21                                       
CONECT   16   15   15   17   22                                       
CONECT   17   16   18   18   44                                       
CONECT   18   13   17   17   45                                       
CONECT   19   14   20   29   46                                       
CONECT   20   19   27   27   28                                       
CONECT   21   15    1                                                 
CONECT   22   16    2                                                 
CONECT   23    1    3    3    7                                       
CONECT   24    2    8    8   12                                       
CONECT   25    3                                                      
CONECT   26   12                                                      
CONECT   27   20   20                                                 
CONECT   28   20   47                                                 
CONECT   29   19   30                                                 
CONECT   30   29   48   49   50                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   28                                                      
CONECT   48   30                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
