COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.265   4.267   1.158  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.169   3.075   0.242  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.719   3.095  -0.839  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.473   1.986   0.624  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.380   0.826  -0.267  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.607  -0.072  -0.070  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.781   0.611  -0.515  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.415  -1.352  -0.890  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.075  -1.988  -0.514  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.062  -2.293   0.962  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.895  -2.364   1.623  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.101  -2.474   1.551  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.900  -3.200  -1.250  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.602  -3.699  -0.924  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.010  -1.090  -0.820  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.119   0.025   0.063  1.00  0.00           C  
HETATM   17  C   UNL     1       0.110   0.922  -0.100  1.00  0.00           C  
HETATM   18  O   UNL     1       0.119   1.485  -1.413  1.00  0.00           O  
HETATM   19  C   UNL     1       1.379   0.092   0.107  1.00  0.00           C  
HETATM   20  O   UNL     1       1.370  -0.471   1.420  1.00  0.00           O  
HETATM   21  C   UNL     1       2.607   0.989  -0.055  1.00  0.00           C  
HETATM   22  N   UNL     1       3.822   0.173   0.024  1.00  0.00           N  
HETATM   23  C   UNL     1       5.032   0.753  -0.093  1.00  0.00           C  
HETATM   24  O   UNL     1       5.117   1.952  -0.264  1.00  0.00           O  
HETATM   25  C   UNL     1       6.271  -0.079  -0.012  1.00  0.00           C  
HETATM   26  O   UNL     1       6.187  -1.277   0.160  1.00  0.00           O  
HETATM   27  N   UNL     1       7.482   0.501  -0.129  1.00  0.00           N  
HETATM   28  H   UNL     1      -2.713   4.066   2.076  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.840   5.141   0.663  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.311   4.458   1.398  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.034   1.969   1.489  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.338   1.164  -1.302  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.710  -0.325   0.985  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.523   0.005  -0.384  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.417  -1.109  -1.952  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.223  -2.050  -0.672  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.887  -2.560   2.570  1.00  0.00           H  
HETATM   38  H   UNL     1       0.142  -2.923  -1.108  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.576  -3.986   0.127  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.380  -4.568  -1.544  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.174  -0.331   1.091  1.00  0.00           H  
HETATM   42  H   UNL     1       0.076   1.723   0.639  1.00  0.00           H  
HETATM   43  H   UNL     1       0.149   0.745  -2.034  1.00  0.00           H  
HETATM   44  H   UNL     1       1.413  -0.709  -0.631  1.00  0.00           H  
HETATM   45  H   UNL     1       1.339   0.269   2.042  1.00  0.00           H  
HETATM   46  H   UNL     1       2.568   1.488  -1.023  1.00  0.00           H  
HETATM   47  H   UNL     1       2.619   1.736   0.738  1.00  0.00           H  
HETATM   48  H   UNL     1       3.754  -0.785   0.161  1.00  0.00           H  
HETATM   49  H   UNL     1       7.549   1.459  -0.266  1.00  0.00           H  
HETATM   50  H   UNL     1       8.286  -0.039  -0.076  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   31                                            
CONECT    5    4    6   16   32                                       
CONECT    6    5    7    8   33                                       
CONECT    7    6   34                                                 
CONECT    8    6    9   35   36                                       
CONECT    9    8   10   13   15                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   37                                                 
CONECT   12   10   10                                                 
CONECT   13    9   14                                                 
CONECT   14   13   38   39   40                                       
CONECT   15    9   16                                                 
CONECT   16    5   15   17   41                                       
CONECT   17   16   18   19   42                                       
CONECT   18   17   43                                                 
CONECT   19   17   20   21   44                                       
CONECT   20   19   45                                                 
CONECT   21   19   22   46   47                                       
CONECT   22   21   23   48                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   49   50                                            
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
