COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.864   1.200   0.275  1.00  0.00           C  
HETATM    2  C   UNL     1       1.494   1.078  -0.437  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.103   0.039   0.253  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.707  -1.175   0.012  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.270   3.511   0.345  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.619   0.169   0.490  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.455  -2.231  -0.230  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.947  -2.476  -0.010  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.739  -1.432  -0.647  1.00  0.00           C  
HETATM   10  C   UNL     1       0.859  -1.394   1.673  1.00  0.00           C  
HETATM   11  C   UNL     1       0.034   0.836  -0.722  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.032  -1.161   0.689  1.00  0.00           N  
HETATM   13  N   UNL     1       3.391   2.056   0.171  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.229   1.150   0.060  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.077  -1.228  -0.217  1.00  0.00           C  
HETATM   16  C   UNL     1       2.039   2.211   0.033  1.00  0.00           C  
HETATM   17  C   UNL     1       3.759   0.786  -0.217  1.00  0.00           C  
HETATM   18  C   UNL     1       2.587   0.118  -0.615  1.00  0.00           C  
HETATM   19  C   UNL     1       4.978   0.118  -0.276  1.00  0.00           C  
HETATM   20  C   UNL     1       5.023  -1.186  -0.722  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.840  -0.076  -0.185  1.00  0.00           C  
HETATM   22  C   UNL     1       3.862  -1.840  -1.113  1.00  0.00           C  
HETATM   23  C   UNL     1       2.655  -1.202  -1.063  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.181  -0.139  -0.403  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.969   2.291   0.087  1.00  0.00           O  
HETATM   26  O   UNL     1       1.328  -2.503   1.816  1.00  0.00           O  
HETATM   27 CL   UNL     1       6.438   0.923   0.209  1.00  0.00          Cl  
HETATM   28  H   UNL     1      -2.386   2.150   0.467  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.785   3.453   1.319  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.517   3.668  -0.427  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.976   4.341   0.339  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.445   0.779   1.376  1.00  0.00           H  
HETATM   33  H   UNL     1       0.104  -3.142  -0.017  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.279  -1.923  -1.260  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.090  -2.990   0.940  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.330  -3.101  -0.816  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.278  -1.865  -1.535  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.551  -2.077   0.211  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.814  -1.340  -0.804  1.00  0.00           H  
HETATM   40  H   UNL     1       1.154  -0.593   2.335  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.459   1.788  -0.923  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.064   0.186  -1.592  1.00  0.00           H  
HETATM   43  H   UNL     1       4.001   2.738   0.494  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.550  -2.178  -0.413  1.00  0.00           H  
HETATM   45  H   UNL     1       1.491   3.112   0.267  1.00  0.00           H  
HETATM   46  H   UNL     1       5.969  -1.704  -0.767  1.00  0.00           H  
HETATM   47  H   UNL     1       3.915  -2.862  -1.460  1.00  0.00           H  
HETATM   48  H   UNL     1       1.757  -1.718  -1.369  1.00  0.00           H  
CONECT    1   14    3    3   28                                       
CONECT    2   11   16   16   18                                       
CONECT    3    1    1    4    6                                       
CONECT    4   15   15    3    8                                       
CONECT    5   25   29   30   31                                       
CONECT    6    3   12   11   32                                       
CONECT    7    8   12   33   34                                       
CONECT    8    4    7   35   36                                       
CONECT    9   24   37   38   39                                       
CONECT   10   12   26   26   40                                       
CONECT   11    6    2   41   42                                       
CONECT   12    6    7   10                                            
CONECT   13   16   17   43                                            
CONECT   14   25   21   21    1                                       
CONECT   15   21    4    4   44                                       
CONECT   16    2    2   13   45                                       
CONECT   17   18   13   19   19                                       
CONECT   18    2   23   23   17                                       
CONECT   19   17   17   20   27                                       
CONECT   20   22   22   19   46                                       
CONECT   21   24   14   14   15                                       
CONECT   22   23   20   20   47                                       
CONECT   23   18   18   22   48                                       
CONECT   24    9   21                                                 
CONECT   25    5   14                                                 
CONECT   26   10   10                                                 
CONECT   27   19                                                      
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
