COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.114   4.844  -1.634  1.00  0.00           C  
HETATM    2  C   UNL     1       3.753   2.663  -0.709  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.874   0.987   0.480  1.00  0.00           O  
HETATM    4  C   UNL     1       2.165  -0.085   0.279  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.463   0.825   0.522  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.786   0.064   0.404  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.231   1.309   0.457  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.071  -1.157   0.130  1.00  0.00           C  
HETATM    9  O   UNL     1       4.031   4.042  -0.455  1.00  0.00           O  
HETATM   10  C   UNL     1       3.687   1.904   0.618  1.00  0.00           C  
HETATM   11  N   UNL     1       3.401   0.490   0.358  1.00  0.00           N  
HETATM   12  N   UNL     1       0.969   0.585   0.429  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.297  -0.144   0.316  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.368   1.417   1.819  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.128   0.470   0.391  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.505   0.780   0.372  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.681  -0.583   0.222  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.494  -1.195  -1.279  1.00  0.00           C  
HETATM   19  N   UNL     1      -9.820  -1.225  -2.367  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.583  -1.421   0.156  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.307  -0.897   0.234  1.00  0.00           C  
HETATM   22  N   UNL     1       2.285  -1.366   0.035  1.00  0.00           N  
HETATM   23  C   UNL     1       3.602  -1.692  -0.058  1.00  0.00           C  
HETATM   24  C   UNL     1       4.279  -2.889  -0.301  1.00  0.00           C  
HETATM   25  C   UNL     1       5.656  -2.901  -0.336  1.00  0.00           C  
HETATM   26  C   UNL     1       6.376  -1.732  -0.133  1.00  0.00           C  
HETATM   27 CL   UNL     1       8.110  -1.768  -0.182  1.00  0.00          Cl  
HETATM   28  C   UNL     1       5.720  -0.541   0.108  1.00  0.00           C  
HETATM   29  C   UNL     1       4.335  -0.511   0.146  1.00  0.00           C  
HETATM   30  H   UNL     1       4.912   4.468  -2.275  1.00  0.00           H  
HETATM   31  H   UNL     1       3.167   4.801  -2.171  1.00  0.00           H  
HETATM   32  H   UNL     1       4.328   5.877  -1.357  1.00  0.00           H  
HETATM   33  H   UNL     1       2.797   2.575  -1.226  1.00  0.00           H  
HETATM   34  H   UNL     1       4.543   2.241  -1.330  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.425   1.606  -0.238  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.863  -0.657   1.218  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.819  -0.460  -0.551  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.095   2.373   0.580  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.075  -2.167   0.538  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.760  -0.533   0.699  1.00  0.00           H  
HETATM   41  H   UNL     1       4.642   1.992   1.135  1.00  0.00           H  
HETATM   42  H   UNL     1       2.897   2.326   1.239  1.00  0.00           H  
HETATM   43  H   UNL     1       0.965   1.538   0.608  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.336  -0.925   1.076  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.370  -0.595  -0.673  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.395   0.779   2.545  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.364   1.432   0.424  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.722  -2.485   0.038  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.450  -1.551   0.182  1.00  0.00           H  
HETATM   50  H   UNL     1       3.725  -3.802  -0.459  1.00  0.00           H  
HETATM   51  H   UNL     1       6.179  -3.827  -0.524  1.00  0.00           H  
HETATM   52  H   UNL     1       6.286   0.366   0.264  1.00  0.00           H  
CONECT    1    9   30   31   32                                       
CONECT    2   10    9   33   34                                       
CONECT    3    6   15                                                 
CONECT    4   11   12   22   22                                       
CONECT    5    6   13   14   35                                       
CONECT    6    5    3   36   37                                       
CONECT    7   16   16   15   38                                       
CONECT    8   17   18   39   40                                       
CONECT    9    1    2                                                 
CONECT   10    2   11   41   42                                       
CONECT   11   10   29    4                                            
CONECT   12    4   13   43                                            
CONECT   13   12    5   44   45                                       
CONECT   14    5   46                                                 
CONECT   15    7    3   21   21                                       
CONECT   16    7    7   17   47                                       
CONECT   17   16    8   20   20                                       
CONECT   18    8   19   19   19                                       
CONECT   19   18   18   18                                            
CONECT   20   17   17   21   48                                       
CONECT   21   15   15   20   49                                       
CONECT   22    4    4   23                                            
CONECT   23   29   22   24   24                                       
CONECT   24   23   23   25   50                                       
CONECT   25   26   26   24   51                                       
CONECT   26   28   27   25   25                                       
CONECT   27   26                                                      
CONECT   28   29   29   26   52                                       
CONECT   29   11   28   28   23                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
