COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.231  -1.171   0.465  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.338  -0.333   1.434  1.00  0.00           N  
HETATM    3  C   UNL     1       7.184  -0.794  -0.672  1.00  0.00           C  
HETATM    4  C   UNL     1       6.007  -1.520  -0.679  1.00  0.00           C  
HETATM    5  C   UNL     1       4.796  -0.875  -0.520  1.00  0.00           C  
HETATM    6  C   UNL     1       4.761   0.502  -0.354  1.00  0.00           C  
HETATM    7  C   UNL     1       2.448   0.378  -0.100  1.00  0.00           C  
HETATM    8  C   UNL     1       0.554  -0.671  -1.130  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.365  -1.123  -0.270  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.521   0.227  -0.102  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.369   0.044  -1.623  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.215   1.196   0.619  1.00  0.00           C  
HETATM   13  C   UNL     1       0.916  -0.915   1.227  1.00  0.00           C  
HETATM   14  C   UNL     1       2.058  -0.135   1.134  1.00  0.00           C  
HETATM   15  O   UNL     1       2.796   0.127   2.245  1.00  0.00           O  
HETATM   16  O   UNL     1       3.570   1.139  -0.198  1.00  0.00           O  
HETATM   17  C   UNL     1       7.152   0.578  -0.501  1.00  0.00           C  
HETATM   18  C   UNL     1       5.943   1.228  -0.347  1.00  0.00           C  
HETATM   19  C   UNL     1       5.910   2.723  -0.162  1.00  0.00           C  
HETATM   20  C   UNL     1       0.167  -1.181   0.095  1.00  0.00           C  
HETATM   21  C   UNL     1       1.692   0.107  -1.230  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.074  -2.030   0.198  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.474   0.269   1.387  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.164  -0.192   0.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.477   1.582   0.215  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.053   1.008  -0.904  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.109  -0.353  -1.224  1.00  0.00           C  
HETATM   28  H   UNL     1       8.130  -1.300  -0.796  1.00  0.00           H  
HETATM   29  H   UNL     1       6.035  -2.591  -0.809  1.00  0.00           H  
HETATM   30  H   UNL     1       3.876  -1.442  -0.526  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.034  -0.881  -2.011  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.593  -1.704  -1.152  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.824  -0.401  -2.495  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.766   1.645   1.493  1.00  0.00           H  
HETATM   35  H   UNL     1       0.612  -1.315   2.182  1.00  0.00           H  
HETATM   36  H   UNL     1       3.492  -0.521   2.417  1.00  0.00           H  
HETATM   37  H   UNL     1       8.073   1.142  -0.496  1.00  0.00           H  
HETATM   38  H   UNL     1       5.839   3.209  -1.135  1.00  0.00           H  
HETATM   39  H   UNL     1       5.044   2.995   0.443  1.00  0.00           H  
HETATM   40  H   UNL     1       6.821   3.048   0.341  1.00  0.00           H  
HETATM   41  H   UNL     1       1.992   0.505  -2.188  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.958  -2.746   1.012  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.227  -2.565  -0.739  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.015   2.334   0.773  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.039   1.316  -1.219  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.576  -1.105  -1.787  1.00  0.00           H  
CONECT    1   22    9    2                                            
CONECT    2    1   23   23                                            
CONECT    3   17    4    4   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    6    6    4   30                                       
CONECT    6   18   16    5    5                                       
CONECT    7   14   16   21   21                                       
CONECT    8   20   20   21   31                                       
CONECT    9    1   24   24   32                                       
CONECT   10   27   24   12   12                                       
CONECT   11   27   27   26   33                                       
CONECT   12   10   10   25   34                                       
CONECT   13   14   14   20   35                                       
CONECT   14   15   13   13    7                                       
CONECT   15   14   36                                                 
CONECT   16    6    7                                                 
CONECT   17   18   18    3   37                                       
CONECT   18   19   17   17    6                                       
CONECT   19   18   38   39   40                                       
CONECT   20   13   22    8    8                                       
CONECT   21    7    7    8   41                                       
CONECT   22   20    1   42   43                                       
CONECT   23    2    2   24                                            
CONECT   24    9    9   10   23                                       
CONECT   25   26   26   12   44                                       
CONECT   26   11   25   25   45                                       
CONECT   27   11   11   10   46                                       
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   26                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
