COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.698  -0.725  -0.260  1.00  0.00           C  
HETATM    2  C   UNL     1       3.835   0.359   0.530  1.00  0.00           C  
HETATM    3  C   UNL     1       2.383   0.721   0.208  1.00  0.00           C  
HETATM    4  C   UNL     1       0.133  -0.234   0.513  1.00  0.00           C  
HETATM    5  O   UNL     1       6.219  -1.480  -1.355  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.855   0.542  -0.083  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.965   1.224  -0.548  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.234   0.676  -0.379  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.538   0.809  -0.668  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.733  -1.122   0.428  1.00  0.00           C  
HETATM   11  O   UNL     1       4.255  -0.779  -0.253  1.00  0.00           O  
HETATM   12  O   UNL     1      -5.922  -2.192   0.975  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.378  -0.576   0.269  1.00  0.00           C  
HETATM   14  N   UNL     1       1.497  -0.340   0.692  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.260  -1.260   0.735  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.997  -0.705   0.562  1.00  0.00           C  
HETATM   17  C   UNL     1       4.781   1.503   0.104  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.344   1.318  -0.823  1.00  0.00           N  
HETATM   19  N   UNL     1      -7.617   1.514  -1.143  1.00  0.00           N  
HETATM   20  N   UNL     1      -6.764  -0.391  -0.056  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.498   0.813  -0.099  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.746  -1.123   0.900  1.00  0.00           N  
HETATM   23  C   UNL     1       6.035   0.773  -0.428  1.00  0.00           C  
HETATM   24  O   UNL     1       7.183   1.118   0.350  1.00  0.00           O  
HETATM   25  O   UNL     1       5.114   2.322   1.226  1.00  0.00           O  
HETATM   26  H   UNL     1       6.096  -1.100   0.683  1.00  0.00           H  
HETATM   27  H   UNL     1       3.945   0.149   1.594  1.00  0.00           H  
HETATM   28  H   UNL     1       2.126   1.661   0.697  1.00  0.00           H  
HETATM   29  H   UNL     1       2.266   0.829  -0.870  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.848   2.178  -1.041  1.00  0.00           H  
HETATM   31  H   UNL     1       1.868  -1.117   1.138  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.373  -2.214   1.229  1.00  0.00           H  
HETATM   33  H   UNL     1       4.326   2.102  -0.684  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.513   1.157  -1.040  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.483   2.369  -1.581  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.671  -0.722   0.032  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.074   1.600  -0.474  1.00  0.00           H  
HETATM   38  H   UNL     1       6.199   1.012  -1.479  1.00  0.00           H  
HETATM   39  H   UNL     1       7.987   0.643   0.097  1.00  0.00           H  
HETATM   40  H   UNL     1       5.707   3.057   1.015  1.00  0.00           H  
HETATM   41  C   UNL     1       5.986  -2.886  -1.255  1.00  0.00           C  
HETATM   42  H   UNL     1       6.455  -3.269  -0.348  1.00  0.00           H  
HETATM   43  H   UNL     1       4.913  -3.075  -1.215  1.00  0.00           H  
HETATM   44  H   UNL     1       6.411  -3.389  -2.123  1.00  0.00           H  
CONECT    1   23    5   11   26                                       
CONECT    2   17   11    3   27                                       
CONECT    3    2   14   28   29                                       
CONECT    4   14   21   22   22                                       
CONECT    5    1   41                                                 
CONECT    6   21   16   16    7                                       
CONECT    7    6    8    8   30                                       
CONECT    8    7    7   13   18                                       
CONECT    9   18   18   20   19                                       
CONECT   10   13   12   12   20                                       
CONECT   11    1    2                                                 
CONECT   12   10   10                                                 
CONECT   13   15   15    8   10                                       
CONECT   14    3    4   31                                            
CONECT   15   16   13   13   32                                       
CONECT   16   22    6    6   15                                       
CONECT   17   23   25    2   33                                       
CONECT   18    8    9    9                                            
CONECT   19    9   34   35                                            
CONECT   20   10    9   36                                            
CONECT   21    4    6   37                                            
CONECT   22    4    4   16                                            
CONECT   23   24    1   17   38                                       
CONECT   24   23   39                                                 
CONECT   25   17   40                                                 
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   19                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   23                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41    5   42   43   44                                       
CONECT   42   41                                                      
CONECT   43   41                                                      
CONECT   44   41                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
