COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.602   0.668  -0.314  1.00  0.00           N  
HETATM    2  C   UNL     1       3.901   3.218  -0.181  1.00  0.00           C  
HETATM    3  C   UNL     1       2.142   2.165  -1.424  1.00  0.00           C  
HETATM    4  C   UNL     1       2.380   1.734   0.930  1.00  0.00           C  
HETATM    5  C   UNL     1       3.475   2.574   0.972  1.00  0.00           C  
HETATM    6  C   UNL     1       3.234   3.009  -1.379  1.00  0.00           C  
HETATM    7  C   UNL     1       2.206  -2.570  -0.355  1.00  0.00           C  
HETATM    8  C   UNL     1       2.563  -5.314  -0.374  1.00  0.00           C  
HETATM    9  C   UNL     1       3.316  -3.132   0.264  1.00  0.00           C  
HETATM   10  C   UNL     1       1.461  -4.757  -0.996  1.00  0.00           C  
HETATM   11 CL   UNL     1       4.477  -2.114   1.058  1.00  0.00          Cl  
HETATM   12  C   UNL     1       3.488  -4.504   0.258  1.00  0.00           C  
HETATM   13  C   UNL     1       1.280  -3.388  -0.988  1.00  0.00           C  
HETATM   14  N   UNL     1       2.026  -1.182  -0.345  1.00  0.00           N  
HETATM   15  C   UNL     1       0.783  -0.664  -0.413  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.174  -1.398  -0.564  1.00  0.00           O  
HETATM   17  C   UNL     1       1.712   1.525  -0.269  1.00  0.00           C  
HETATM   18  O   UNL     1       4.977   4.048  -0.137  1.00  0.00           O  
HETATM   19  C   UNL     1       5.439   4.056   1.215  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.684   1.193  -0.257  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.888   2.573  -0.280  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.183   3.050  -0.221  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.188   2.189  -0.145  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.965   0.884  -0.125  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.738   0.387  -0.184  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.040   0.017  -0.044  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.405   0.546   0.017  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.913   0.812  -1.402  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.317  -0.473   0.703  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.809  -0.738   2.121  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.742   0.080   0.767  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.313  -1.693  -0.041  1.00  0.00           O  
HETATM   33  H   UNL     1       1.623   2.003  -2.357  1.00  0.00           H  
HETATM   34  H   UNL     1       2.045   1.237   1.828  1.00  0.00           H  
HETATM   35  H   UNL     1       3.995   2.737   1.905  1.00  0.00           H  
HETATM   36  H   UNL     1       3.569   3.507  -2.277  1.00  0.00           H  
HETATM   37  H   UNL     1       2.702  -6.385  -0.382  1.00  0.00           H  
HETATM   38  H   UNL     1       0.741  -5.393  -1.489  1.00  0.00           H  
HETATM   39  H   UNL     1       4.347  -4.942   0.744  1.00  0.00           H  
HETATM   40  H   UNL     1       0.419  -2.954  -1.474  1.00  0.00           H  
HETATM   41  H   UNL     1       2.794  -0.593  -0.289  1.00  0.00           H  
HETATM   42  H   UNL     1       6.305   4.712   1.300  1.00  0.00           H  
HETATM   43  H   UNL     1       4.644   4.417   1.868  1.00  0.00           H  
HETATM   44  H   UNL     1       5.719   3.044   1.509  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.051   3.254  -0.342  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.375   4.113  -0.237  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.891  -0.942  -0.029  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.409   1.477   0.584  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.910  -0.119  -1.969  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.928   1.206  -1.356  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.263   1.538  -1.890  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.813   0.192   2.689  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.459  -1.464   2.610  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.794  -1.132   2.076  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.104   0.270  -0.244  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.392  -0.645   1.255  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.746   1.011   1.334  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.898  -2.306   0.424  1.00  0.00           H  
CONECT    1   15   17   20                                            
CONECT    2    5    5    6   18                                       
CONECT    3    6    6   17   33                                       
CONECT    4    5   17   17   34                                       
CONECT    5    2    2    4   35                                       
CONECT    6    2    3    3   36                                       
CONECT    7    9   13   13   14                                       
CONECT    8   10   10   12   37                                       
CONECT    9    7   11   12   12                                       
CONECT   10    8    8   13   38                                       
CONECT   11    9                                                      
CONECT   12    8    9    9   39                                       
CONECT   13    7    7   10   40                                       
CONECT   14    7   15   41                                            
CONECT   15    1   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    1    3    4    4                                       
CONECT   18    2   19                                                 
CONECT   19   18   42   43   44                                       
CONECT   20    1   21   25   25                                       
CONECT   21   20   22   22   45                                       
CONECT   22   21   21   23   46                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   26                                       
CONECT   25   20   20   24                                            
CONECT   26   24   27   47                                            
CONECT   27   26   28   29   48                                       
CONECT   28   27   49   50   51                                       
CONECT   29   27   30   31   32                                       
CONECT   30   29   52   53   54                                       
CONECT   31   29   55   56   57                                       
CONECT   32   29   58                                                 
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
