COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.187  -0.499  -0.126  1.00  0.00           C  
HETATM    2  C   UNL     1       4.158   2.047  -0.246  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.302   2.029   0.480  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.871   2.095   0.365  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.593   2.164  -0.992  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.944  -0.099  -0.027  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.488  -1.906   1.263  1.00  0.00           O  
HETATM    8  C   UNL     1      -2.649  -2.103   0.075  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.094  -3.188  -0.547  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.215  -4.015   0.315  1.00  0.00           C  
HETATM   11  C   UNL     1       0.140  -4.145  -0.386  1.00  0.00           C  
HETATM   12  C   UNL     1       1.235  -3.659   0.566  1.00  0.00           C  
HETATM   13  N   UNL     1       1.448  -2.208   0.344  1.00  0.00           N  
HETATM   14  C   UNL     1       2.711  -1.892  -0.057  1.00  0.00           C  
HETATM   15  O   UNL     1       3.470  -2.788  -0.369  1.00  0.00           O  
HETATM   16  C   UNL     1       4.493  -0.280  -0.564  1.00  0.00           C  
HETATM   17  C   UNL     1       4.984   1.013  -0.629  1.00  0.00           C  
HETATM   18  C   UNL     1       2.851   1.765   0.190  1.00  0.00           C  
HETATM   19  N   UNL     1       2.101   2.874   0.585  1.00  0.00           N  
HETATM   20  C   UNL     1       0.720   2.968   0.364  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.483   2.654   0.258  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.206   3.928  -0.108  1.00  0.00           N  
HETATM   23  N   UNL     1       0.173   4.118  -0.014  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.447   0.892  -1.085  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.855   0.618   0.792  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.383  -1.263  -0.681  1.00  0.00           O  
HETATM   27  N   UNL     1       2.415   0.527   0.221  1.00  0.00           N  
HETATM   28  H   UNL     1       4.512   3.067  -0.279  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.174   0.982   0.708  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.447   2.668   1.097  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.230   3.048  -1.033  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.865   2.189  -1.803  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.762  -0.383   0.628  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.263  -3.400  -1.478  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.085  -3.530   1.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.656  -5.002   0.452  1.00  0.00           H  
HETATM   37  H   UNL     1       0.319  -5.189  -0.645  1.00  0.00           H  
HETATM   38  H   UNL     1       0.145  -3.536  -1.289  1.00  0.00           H  
HETATM   39  H   UNL     1       0.925  -3.830   1.597  1.00  0.00           H  
HETATM   40  H   UNL     1       2.160  -4.200   0.365  1.00  0.00           H  
HETATM   41  H   UNL     1       0.752  -1.545   0.473  1.00  0.00           H  
HETATM   42  H   UNL     1       5.118  -1.114  -0.850  1.00  0.00           H  
HETATM   43  H   UNL     1       5.990   1.206  -0.972  1.00  0.00           H  
HETATM   44  H   UNL     1       2.553   3.608   1.029  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.854   4.593  -0.387  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.492   1.135  -0.894  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.347   0.453  -2.078  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.880   0.180   0.578  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.077   0.537   1.856  1.00  0.00           H  
CONECT    1   27   14   16   16                                       
CONECT    2   18   17   17   28                                       
CONECT    3   21   21   20   29                                       
CONECT    4   25   21    5   30                                       
CONECT    5    4   24   31   32                                       
CONECT    6   25   26   24   33                                       
CONECT    7    8    8                                                 
CONECT    8   26    7    7    9                                       
CONECT    9    8   10   34                                            
CONECT   10    9   11   35   36                                       
CONECT   11   10   12   37   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   14   12   41                                            
CONECT   14    1   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16    1    1   17   42                                       
CONECT   17    2    2   16   43                                       
CONECT   18   19   27   27    2                                       
CONECT   19   20   18   44                                            
CONECT   20   23   23    3   19                                       
CONECT   21   22    4    3    3                                       
CONECT   22   23   21   45                                            
CONECT   23   22   20   20                                            
CONECT   24    6    5   46   47                                       
CONECT   25    6    4   48   49                                       
CONECT   26    6    8                                                 
CONECT   27   18   18    1                                            
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
