COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.662  28.939  -6.178  1.00  0.00           N  
HETATM    2  C   UNL     1       2.250  27.702  -5.993  1.00  0.00           C  
HETATM    3  N   UNL     1       2.132  27.019  -4.854  1.00  0.00           N  
HETATM    4  C   UNL     1       2.433  27.718  -3.765  1.00  0.00           C  
HETATM    5  C   UNL     1       2.914  29.049  -3.793  1.00  0.00           C  
HETATM    6  C   UNL     1       3.020  29.617  -5.061  1.00  0.00           C  
HETATM    7  B   UNL     1       1.268  31.676  -2.581  1.00  0.00           B  
HETATM    8  B   UNL     1       1.097  33.132  -1.594  1.00  0.00           B  
HETATM    9  B   UNL     1       1.796  30.104  -0.268  1.00  0.00           B  
HETATM   10  B   UNL     1      -0.112  31.844  -1.489  1.00  0.00           B  
HETATM   11  B   UNL     1       2.194  32.958  -0.214  1.00  0.00           B  
HETATM   12  B   UNL     1       1.662  31.558   0.732  1.00  0.00           B  
HETATM   13  B   UNL     1       2.674  32.375  -1.810  1.00  0.00           B  
HETATM   14  B   UNL     1       0.730  30.298  -1.642  1.00  0.00           B  
HETATM   15  N   UNL     1       1.897  27.003  -7.158  1.00  0.00           N  
HETATM   16  N   UNL     1       2.283  27.002  -2.576  1.00  0.00           N  
HETATM   17  H   UNL     1       1.813  27.645  -7.920  1.00  0.00           H  
HETATM   18  H   UNL     1       2.603  26.327  -7.368  1.00  0.00           H  
HETATM   19  H   UNL     1       2.247  26.023  -2.778  1.00  0.00           H  
HETATM   20  H   UNL     1       3.059  27.190  -1.974  1.00  0.00           H  
HETATM   21  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   22  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   23  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   24  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   25  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   26  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   27  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   28  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   29  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   30  C   UNL     1       3.509  31.062  -5.300  1.00  0.00           C  
HETATM   31  C   UNL     1       3.346  29.824  -2.578  1.00  0.00           C  
HETATM   32  C   UNL     1       2.373  30.685  -1.775  1.00  0.00           C  
HETATM   33  C   UNL     1       2.904  31.414  -0.405  1.00  0.00           C  
HETATM   34  B   UNL     1       0.230  30.859  -0.061  1.00  0.00           B  
HETATM   35  B   UNL     1       0.457  32.611  -0.025  1.00  0.00           B  
HETATM   36  H   UNL     1       3.725  29.072  -1.870  1.00  0.00           H  
HETATM   37  H   UNL     1       4.030  30.573  -3.004  1.00  0.00           H  
HETATM   38  H   UNL     1       3.625  31.575  -4.334  1.00  0.00           H  
HETATM   39  H   UNL     1       4.477  31.040  -5.822  1.00  0.00           H  
HETATM   40  H   UNL     1       2.773  31.601  -5.915  1.00  0.00           H  
HETATM   41  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   42  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3   15                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   16                                       
CONECT    5    4    4    6   31                                       
CONECT    6    1    1    5   30                                       
CONECT    7   32    8   10   13                                       
CONECT    7   14   22                                                 
CONECT    8    7   10   11   13                                       
CONECT    8   27   35                                                 
CONECT    9   34   32   33   12                                       
CONECT    9   14   24                                                 
CONECT   10    7   34    8   14                                       
CONECT   10   28   35                                                 
CONECT   11    8   33   12   13                                       
CONECT   11   26   35                                                 
CONECT   12    9   34   33   11                                       
CONECT   12   35   25                                                 
CONECT   13   33    7    8   32                                       
CONECT   13   11   21                                                 
CONECT   14    7   34   32    9                                       
CONECT   14   10   23                                                 
CONECT   15    2   17   18                                            
CONECT   16    4   19   20                                            
CONECT   17   15                                                      
CONECT   18   15                                                      
CONECT   19   16                                                      
CONECT   20   16                                                      
CONECT   21   13                                                      
CONECT   22    7                                                      
CONECT   23   14                                                      
CONECT   24    9                                                      
CONECT   25   12                                                      
CONECT   26   11                                                      
CONECT   27    8                                                      
CONECT   28   10                                                      
CONECT   29   33                                                      
CONECT   30    6   38   39   40                                       
CONECT   31    5   32   36   37                                       
CONECT   32    7    9   13   14                                       
CONECT   32   31   33                                                 
CONECT   33    9   11   12   13                                       
CONECT   33   29   32                                                 
CONECT   34    9   10   12   14                                       
CONECT   34   41   35                                                 
CONECT   35   12   42   34    8                                       
CONECT   35   10   11                                                 
CONECT   36   31                                                      
CONECT   37   31                                                      
CONECT   38   30                                                      
CONECT   39   30                                                      
CONECT   40   30                                                      
CONECT   41   34                                                      
CONECT   42   35                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
