COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.054  -1.907  -0.830  1.00  0.00           O  
HETATM    2  C   UNL     1       4.052  -1.807  -0.144  1.00  0.00           C  
HETATM    3  N   UNL     1       4.587  -2.902   0.432  1.00  0.00           N  
HETATM    4  C   UNL     1       4.682  -0.488   0.053  1.00  0.00           C  
HETATM    5  C   UNL     1       5.891  -0.383   0.744  1.00  0.00           C  
HETATM    6  C   UNL     1       6.474   0.853   0.925  1.00  0.00           C  
HETATM    7  C   UNL     1       4.072   0.669  -0.457  1.00  0.00           C  
HETATM    8  C   UNL     1       4.675   1.906  -0.264  1.00  0.00           C  
HETATM    9  C   UNL     1       5.867   1.993   0.426  1.00  0.00           C  
HETATM   10  N   UNL     1       2.872   0.578  -1.151  1.00  0.00           N  
HETATM   11  C   UNL     1       1.665   0.498  -0.452  1.00  0.00           C  
HETATM   12  C   UNL     1       0.465   0.404  -1.145  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.730   0.325  -0.447  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.725   0.339   0.940  1.00  0.00           C  
HETATM   15  C   UNL     1       0.470   0.432   1.628  1.00  0.00           C  
HETATM   16  C   UNL     1       1.663   0.505   0.938  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.906   0.234  -1.122  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.099   0.155  -0.340  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.312   0.060  -1.267  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.570  -0.023  -0.442  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.058  -1.255  -0.047  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.213  -1.331   0.710  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.879  -0.175   1.072  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.390   1.057   0.678  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.233   1.133  -0.074  1.00  0.00           C  
HETATM   26  H   UNL     1       4.176  -3.770   0.299  1.00  0.00           H  
HETATM   27  H   UNL     1       5.384  -2.822   0.979  1.00  0.00           H  
HETATM   28  H   UNL     1       6.369  -1.269   1.136  1.00  0.00           H  
HETATM   29  H   UNL     1       7.410   0.932   1.459  1.00  0.00           H  
HETATM   30  H   UNL     1       4.210   2.799  -0.655  1.00  0.00           H  
HETATM   31  H   UNL     1       6.331   2.957   0.573  1.00  0.00           H  
HETATM   32  H   UNL     1       2.872   0.570  -2.121  1.00  0.00           H  
HETATM   33  H   UNL     1       0.463   0.394  -2.225  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.657   0.277   1.483  1.00  0.00           H  
HETATM   35  H   UNL     1       0.470   0.443   2.708  1.00  0.00           H  
HETATM   36  H   UNL     1       2.596   0.573   1.478  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.058  -0.728   0.298  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.186   1.047   0.281  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.353   0.943  -1.905  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.225  -0.832  -1.888  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.538  -2.158  -0.330  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.594  -2.293   1.017  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.781  -0.234   1.663  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.911   1.960   0.961  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.849   2.095  -0.379  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   26   27                                            
CONECT    4    2    5    5    7                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    9    9   29                                       
CONECT    7    4   10    8    8                                       
CONECT    8    7    7    9   30                                       
CONECT    9    6    6    8   31                                       
CONECT   10    7   11   32                                            
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   33                                       
CONECT   13   12   17   14   14                                       
CONECT   14   13   13   15   34                                       
CONECT   15   16   16   14   35                                       
CONECT   16   11   15   15   36                                       
CONECT   17   13   18                                                 
CONECT   18   17   19   37   38                                       
CONECT   19   20   18   39   40                                       
CONECT   20   21   19   25   25                                       
CONECT   21   22   22   20   41                                       
CONECT   22   21   21   23   42                                       
CONECT   23   22   24   24   43                                       
CONECT   24   23   23   25   44                                       
CONECT   25   20   20   24   45                                       
CONECT   26    3                                                      
CONECT   27    3                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
