COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.635   0.425   0.169  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.211   3.653  -1.084  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.251  -1.369   0.005  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.504  -2.183   0.854  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.957  -3.448   1.167  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.770  -0.007  -0.335  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.535   0.808  -1.196  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.888   2.521  -0.974  1.00  0.00           C  
HETATM    9  C   UNL     1       2.121   0.804   1.024  1.00  0.00           C  
HETATM   10  C   UNL     1       3.336   0.438   3.059  1.00  0.00           C  
HETATM   11  C   UNL     1       4.272  -0.337   1.090  1.00  0.00           C  
HETATM   12  C   UNL     1       4.163  -0.666  -1.674  1.00  0.00           C  
HETATM   13  C   UNL     1       3.137  -0.029  -1.048  1.00  0.00           C  
HETATM   14  C   UNL     1       6.146  -1.913  -3.014  1.00  0.00           C  
HETATM   15  O   UNL     1       6.268  -1.780  -1.597  1.00  0.00           O  
HETATM   16  C   UNL     1       5.256  -1.148  -0.947  1.00  0.00           C  
HETATM   17  C   UNL     1       5.318  -0.990   0.418  1.00  0.00           C  
HETATM   18  C   UNL     1       3.170   0.147   0.344  1.00  0.00           C  
HETATM   19  N   UNL     1       4.306  -0.170   2.417  1.00  0.00           N  
HETATM   20  C   UNL     1       2.223   0.941   2.398  1.00  0.00           C  
HETATM   21  O   UNL     1       1.048   1.289   0.352  1.00  0.00           O  
HETATM   22  C   UNL     1       0.036   1.938   1.125  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.068   2.409   0.214  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.165   1.704  -0.139  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.138   3.575  -0.377  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.103   2.057  -1.514  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.449  -1.840  -0.528  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.890  -3.109  -0.213  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.149  -3.910   0.638  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.573  -1.824   1.266  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.379  -4.080   1.825  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.465   0.439  -1.603  1.00  0.00           H  
HETATM   33  H   UNL     1       3.405   0.551   4.131  1.00  0.00           H  
HETATM   34  H   UNL     1       4.133  -0.800  -2.745  1.00  0.00           H  
HETATM   35  H   UNL     1       2.299   0.339  -1.620  1.00  0.00           H  
HETATM   36  H   UNL     1       5.247  -2.483  -3.250  1.00  0.00           H  
HETATM   37  H   UNL     1       6.079  -0.924  -3.468  1.00  0.00           H  
HETATM   38  H   UNL     1       7.019  -2.435  -3.407  1.00  0.00           H  
HETATM   39  H   UNL     1       6.167  -1.367   0.970  1.00  0.00           H  
HETATM   40  H   UNL     1       1.441   1.437   2.953  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.368   1.236   1.855  1.00  0.00           H  
HETATM   42  H   UNL     1       0.468   2.793   1.645  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.684   2.685  -2.173  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.032  -1.213  -1.187  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.818  -3.476  -0.626  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.499  -4.901   0.885  1.00  0.00           H  
CONECT    1    6    6   24                                            
CONECT    2    8    8   25                                            
CONECT    3    4    4    6   27                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4   29   29   31                                       
CONECT    6    1    1    3    7                                       
CONECT    7    6   26   26   32                                       
CONECT    8    2    2   24   26                                       
CONECT    9   18   18   20   21                                       
CONECT   10   19   20   20   33                                       
CONECT   11   17   18   19   19                                       
CONECT   12   13   13   16   34                                       
CONECT   13   12   12   18   35                                       
CONECT   14   15   36   37   38                                       
CONECT   15   14   16                                                 
CONECT   16   12   15   17   17                                       
CONECT   17   11   16   16   39                                       
CONECT   18    9    9   11   13                                       
CONECT   19   10   11   11                                            
CONECT   20    9   10   10   40                                       
CONECT   21    9   22                                                 
CONECT   22   21   23   41   42                                       
CONECT   23   22   24   25   25                                       
CONECT   24    1    8   23                                            
CONECT   25    2   23   23                                            
CONECT   26    7    7    8   43                                       
CONECT   27    3   28   28   44                                       
CONECT   28   27   27   29   45                                       
CONECT   29    5    5   28   46                                       
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
