COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.567   0.077   1.072  1.00  0.00           C  
HETATM    2  C   UNL     1       1.932  -0.812   0.568  1.00  0.00           C  
HETATM    3  C   UNL     1       1.706  -2.290   0.888  1.00  0.00           C  
HETATM    4  C   UNL     1       3.396  -0.574   0.300  1.00  0.00           C  
HETATM    5  C   UNL     1       4.224  -0.141   1.318  1.00  0.00           C  
HETATM    6  C   UNL     1       5.251  -0.562  -1.214  1.00  0.00           C  
HETATM    7  C   UNL     1       3.911  -0.790  -0.965  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.309  -0.810  -0.317  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.562  -2.180  -0.442  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.842  -2.645  -0.342  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.895  -1.768  -0.115  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.090  -0.001  -0.377  1.00  0.00           C  
HETATM   13  C   UNL     1       6.080  -0.134  -0.195  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.818   0.422  -0.901  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.823   0.522   0.257  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.522   0.141   1.564  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.670  -0.416   0.012  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.373   0.083  -0.086  1.00  0.00           C  
HETATM   19  CA  UNL     1      -0.474   1.307  -0.178  1.00  0.00           C  
HETATM   20  C   UNL     1       0.396   2.427  -0.159  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.850   1.352  -0.005  1.00  0.00           N  
HETATM   22  OXT UNL     1      -0.102   3.665   0.046  1.00  0.00           O  
HETATM   23  O   UNL     1       1.591   2.272  -0.327  1.00  0.00           O  
HETATM   24  O   UNL     1       1.171  -0.452  -0.587  1.00  0.00           O  
HETATM   25  H   UNL     1       6.214   0.415   1.867  1.00  0.00           H  
HETATM   26  H   UNL     1       1.615  -0.204   1.416  1.00  0.00           H  
HETATM   27  H   UNL     1       2.286  -2.565   1.769  1.00  0.00           H  
HETATM   28  H   UNL     1       0.647  -2.462   1.082  1.00  0.00           H  
HETATM   29  H   UNL     1       2.023  -2.898   0.041  1.00  0.00           H  
HETATM   30  H   UNL     1       3.822   0.028   2.306  1.00  0.00           H  
HETATM   31  H   UNL     1       5.653  -0.730  -2.202  1.00  0.00           H  
HETATM   32  H   UNL     1       3.265  -1.138  -1.758  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.748  -2.867  -0.619  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.037  -3.703  -0.439  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.902  -2.152  -0.038  1.00  0.00           H  
HETATM   36  H   UNL     1       7.129   0.037  -0.387  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.320   0.693  -1.832  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.190  -0.600  -0.973  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.652   1.100  -0.723  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.451   1.544   0.329  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.894  -0.881   1.492  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.813   0.213   2.389  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.356   0.820   1.742  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.367   2.158   0.151  1.00  0.00           H  
HETATM   45  HXT UNL     1       0.566   4.363   0.042  1.00  0.00           H  
CONECT    1   13    5    5   25                                       
CONECT    2    4   24    3   26                                       
CONECT    3    2   27   28   29                                       
CONECT    4    7    7    5    2                                       
CONECT    5    1    1    4   30                                       
CONECT    6   13   13    7   31                                       
CONECT    7    6    4    4   32                                       
CONECT    8   12    9    9   18                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   17   35                                       
CONECT   12   24   19   19    8                                       
CONECT   13    6    6    1   36                                       
CONECT   14   15   37   38   39                                       
CONECT   15   17   14   16   40                                       
CONECT   16   15   41   42   43                                       
CONECT   17   18   18   11   15                                       
CONECT   18    8   21   17   17                                       
CONECT   19   20   12   12   21                                       
CONECT   20   23   23   19   22                                       
CONECT   21   19   18   44                                            
CONECT   22   20   45                                                 
CONECT   23   20   20                                                 
CONECT   24    2   12                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
