COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.733   2.123  -0.524  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.553   2.095  -1.816  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.705   0.797  -0.278  1.00  0.00           C  
HETATM    4  C   UNL     1       1.447  -0.396  -0.047  1.00  0.00           C  
HETATM    5  C   UNL     1       5.770   0.602  -1.130  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.803  -1.618  -0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.693  -2.909   0.065  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.203  -1.542  -0.066  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.842   2.417   1.955  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.661   2.389   0.663  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.359   3.738   0.473  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.066   0.832  -0.341  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.036  -0.376  -0.115  1.00  0.00           C  
HETATM   14  C   UNL     1       2.296   0.725  -0.137  1.00  0.00           C  
HETATM   15  C   UNL     1       3.570   0.289  -0.031  1.00  0.00           C  
HETATM   16  N   UNL     1       3.540  -1.053   0.120  1.00  0.00           N  
HETATM   17  C   UNL     1       4.705  -1.927   0.274  1.00  0.00           C  
HETATM   18  N   UNL     1       2.200  -1.463   0.113  1.00  0.00           N  
HETATM   19  C   UNL     1       4.807   1.148  -0.075  1.00  0.00           C  
HETATM   20  C   UNL     1       5.488   1.131   1.295  1.00  0.00           C  
HETATM   21  O   UNL     1       4.444   2.489  -0.410  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.478  -2.922   0.164  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.649  -3.687   0.217  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.029  -3.312   0.062  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.816  -0.281  -0.242  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.031  -0.199  -0.295  1.00  0.00           O  
HETATM   27  H   UNL     1      -1.985   2.913  -0.585  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.301   1.305  -1.755  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.049   3.056  -1.951  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.891   1.906  -2.661  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.147   1.717  -0.362  1.00  0.00           H  
HETATM   32  H   UNL     1       5.285   0.614  -2.106  1.00  0.00           H  
HETATM   33  H   UNL     1       6.665   1.223  -1.162  1.00  0.00           H  
HETATM   34  H   UNL     1       6.047  -0.421  -0.875  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.503   2.606   2.801  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.345   1.456   2.091  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.094   3.207   1.894  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.409   1.599   0.724  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.942   3.718  -0.448  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.020   3.928   1.318  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.611   4.528   0.412  1.00  0.00           H  
HETATM   42  H   UNL     1       1.983   1.751  -0.268  1.00  0.00           H  
HETATM   43  H   UNL     1       5.094  -2.191  -0.709  1.00  0.00           H  
HETATM   44  H   UNL     1       5.477  -1.406   0.842  1.00  0.00           H  
HETATM   45  H   UNL     1       4.412  -2.833   0.805  1.00  0.00           H  
HETATM   46  H   UNL     1       6.428   1.680   1.240  1.00  0.00           H  
HETATM   47  H   UNL     1       4.835   1.600   2.031  1.00  0.00           H  
HETATM   48  H   UNL     1       5.686   0.101   1.589  1.00  0.00           H  
HETATM   49  H   UNL     1       3.899   2.928   0.258  1.00  0.00           H  
HETATM   50  H   UNL     1       0.424  -3.271   0.237  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.734  -2.653  -0.034  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.253  -4.251   0.156  1.00  0.00           H  
CONECT    1    2   12   10   27                                       
CONECT    2    1   28   29   30                                       
CONECT    3   13   13   12   31                                       
CONECT    4   18   18   14   13                                       
CONECT    5   19   32   33   34                                       
CONECT    6   22    8    8   13                                       
CONECT    7   23   23   24    8                                       
CONECT    8    7    6    6   25                                       
CONECT    9   10   35   36   37                                       
CONECT   10    1   11    9   38                                       
CONECT   11   10   39   40   41                                       
CONECT   12   25    3    1                                            
CONECT   13    6    4    3    3                                       
CONECT   14   15   15    4   42                                       
CONECT   15   16   19   14   14                                       
CONECT   16   17   18   15                                            
CONECT   17   16   43   44   45                                       
CONECT   18   16    4    4                                            
CONECT   19    5   15   21   20                                       
CONECT   20   19   46   47   48                                       
CONECT   21   19   49                                                 
CONECT   22   23    6   50                                            
CONECT   23   22    7    7                                            
CONECT   24    7   51   52                                            
CONECT   25    8   26   26   12                                       
CONECT   26   25   25                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
