COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.779  -0.196  -1.101  1.00  0.00           C  
HETATM    2  C   UNL     1       3.540  -0.763  -0.873  1.00  0.00           C  
HETATM    3  C   UNL     1       2.704  -0.233   0.092  1.00  0.00           C  
HETATM    4  C   UNL     1       3.107   0.865   0.828  1.00  0.00           C  
HETATM    5  C   UNL     1       4.347   1.433   0.600  1.00  0.00           C  
HETATM    6  C   UNL     1       5.182   0.903  -0.365  1.00  0.00           C  
HETATM    7  C   UNL     1       1.352  -0.851   0.341  1.00  0.00           C  
HETATM    8  C   UNL     1       1.423  -1.753   1.575  1.00  0.00           C  
HETATM    9  N   UNL     1       0.194  -2.552   1.669  1.00  0.00           N  
HETATM   10  O   UNL     1       0.389   0.181   0.560  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.239   0.654  -0.633  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.081  -0.370  -1.166  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.106  -0.808  -0.271  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.024   0.370   0.065  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.083   1.890  -0.312  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.190   1.501   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.922  -1.919  -0.934  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.080  -3.047  -1.180  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.668   2.395  -1.513  1.00  0.00           O  
HETATM   20  O   UNL     1      -3.027   2.632   0.923  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.015  -0.051   1.005  1.00  0.00           O  
HETATM   22  H   UNL     1       5.434  -0.613  -1.852  1.00  0.00           H  
HETATM   23  H   UNL     1       3.224  -1.622  -1.448  1.00  0.00           H  
HETATM   24  H   UNL     1       2.454   1.281   1.581  1.00  0.00           H  
HETATM   25  H   UNL     1       4.662   2.291   1.175  1.00  0.00           H  
HETATM   26  H   UNL     1       6.153   1.344  -0.541  1.00  0.00           H  
HETATM   27  H   UNL     1       1.059  -1.444  -0.526  1.00  0.00           H  
HETATM   28  H   UNL     1       2.283  -2.418   1.490  1.00  0.00           H  
HETATM   29  H   UNL     1       1.526  -1.138   2.469  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.021  -2.990   0.786  1.00  0.00           H  
HETATM   31  H   UNL     1       0.264  -3.238   2.406  1.00  0.00           H  
HETATM   32  H   UNL     1       0.524   0.915  -1.366  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.651  -1.187   0.644  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.510   0.724  -0.844  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.450   2.657   0.135  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.743   1.163   1.608  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.739  -2.212  -0.275  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.329  -1.557  -1.879  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.024   2.656  -2.185  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.563   3.387   1.309  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.633   0.646   1.263  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.533  -3.791  -1.600  1.00  0.00           H  
CONECT    1    2    6    6   22                                       
CONECT    2    3    3    1   23                                       
CONECT    3    7    2    2    4                                       
CONECT    4    3    5    5   24                                       
CONECT    5    4    4    6   25                                       
CONECT    6    1    1    5   26                                       
CONECT    7    8    3   10   27                                       
CONECT    8    9    7   28   29                                       
CONECT    9    8   30   31                                            
CONECT   10    7   11                                                 
CONECT   11   12   10   15   32                                       
CONECT   12   13   11                                                 
CONECT   13   17   12   14   33                                       
CONECT   14   13   21   16   34                                       
CONECT   15   11   16   19   35                                       
CONECT   16   14   15   20   36                                       
CONECT   17   18   13   37   38                                       
CONECT   18   17   42                                                 
CONECT   19   15   39                                                 
CONECT   20   16   40                                                 
CONECT   21   14   41                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   18                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
