COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.559   2.632   0.020  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.539   3.406  -0.236  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.422   2.624  -0.525  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.800   1.299  -0.414  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.141   1.302  -0.105  1.00  0.00           N  
HETATM    6  N   UNL     1      -0.160   0.118  -0.553  1.00  0.00           N  
HETATM    7  C   UNL     1      -0.827  -1.008  -0.454  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.141  -1.015  -0.162  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.800   0.110   0.011  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.139   0.087   0.306  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.840  -1.193   0.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.102  -1.228   1.294  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.216  -1.311  -0.230  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.256  -2.277  -0.631  1.00  0.00           N  
HETATM   15  C   UNL     1       1.132  -2.397  -0.387  1.00  0.00           C  
HETATM   16  C   UNL     1       1.941  -1.311  -0.095  1.00  0.00           C  
HETATM   17  C   UNL     1       3.302  -1.511   0.127  1.00  0.00           C  
HETATM   18  C   UNL     1       3.832  -2.789   0.073  1.00  0.00           C  
HETATM   19  C   UNL     1       3.030  -3.876  -0.221  1.00  0.00           C  
HETATM   20  C   UNL     1       1.684  -3.675  -0.458  1.00  0.00           C  
HETATM   21  N   UNL     1       4.149  -0.408   0.391  1.00  0.00           N  
HETATM   22  C   UNL     1       3.481   0.705   0.811  1.00  0.00           C  
HETATM   23  O   UNL     1       2.332   0.617   1.188  1.00  0.00           O  
HETATM   24  C   UNL     1       4.172   2.046   0.805  1.00  0.00           C  
HETATM   25  C   UNL     1       3.253   3.021   0.043  1.00  0.00           C  
HETATM   26  C   UNL     1       2.027   2.224  -0.418  1.00  0.00           C  
HETATM   27  C   UNL     1       0.931   3.168  -0.901  1.00  0.00           C  
HETATM   28  H   UNL     1      -1.558   4.486  -0.227  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.622   0.919   0.433  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.205  -2.079   0.430  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.297  -2.136   1.863  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.410  -0.298   1.772  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.600  -0.435  -0.754  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.487  -2.274  -0.662  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.789  -3.038  -0.909  1.00  0.00           H  
HETATM   36  H   UNL     1       1.520  -0.318  -0.040  1.00  0.00           H  
HETATM   37  H   UNL     1       4.885  -2.938   0.263  1.00  0.00           H  
HETATM   38  H   UNL     1       3.451  -4.870  -0.265  1.00  0.00           H  
HETATM   39  H   UNL     1       1.052  -4.517  -0.700  1.00  0.00           H  
HETATM   40  H   UNL     1       5.113  -0.441   0.285  1.00  0.00           H  
HETATM   41  H   UNL     1       4.318   2.394   1.828  1.00  0.00           H  
HETATM   42  H   UNL     1       5.134   1.967   0.298  1.00  0.00           H  
HETATM   43  H   UNL     1       2.943   3.830   0.704  1.00  0.00           H  
HETATM   44  H   UNL     1       3.779   3.427  -0.821  1.00  0.00           H  
HETATM   45  H   UNL     1       2.314   1.559  -1.233  1.00  0.00           H  
HETATM   46  H   UNL     1       1.649   1.629   0.413  1.00  0.00           H  
HETATM   47  H   UNL     1       0.992   3.268  -1.985  1.00  0.00           H  
HETATM   48  H   UNL     1       1.069   4.146  -0.441  1.00  0.00           H  
CONECT    1    2    2    5                                            
CONECT    2    1    1    3   28                                       
CONECT    3    2   27    4    4                                       
CONECT    4    3    3    6    5                                       
CONECT    5    1    4    9                                            
CONECT    6    4    7    7                                            
CONECT    7    6    6   14    8                                       
CONECT    8    7    9    9                                            
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   29                                            
CONECT   11   10   12   13   30                                       
CONECT   12   11   13   31   32                                       
CONECT   13   11   12   33   34                                       
CONECT   14    7   15   35                                            
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   36                                       
CONECT   17   16   21   18   18                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   15   19   19   39                                       
CONECT   21   17   22   40                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   41   42                                       
CONECT   25   24   26   43   44                                       
CONECT   26   25   27   45   46                                       
CONECT   27    3   26   47   48                                       
CONECT   28    2                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
