COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.157  -0.454  -1.704  1.00  0.00           C  
HETATM    2  C   UNL     1       4.673  -0.796  -0.536  1.00  0.00           C  
HETATM    3  C   UNL     1       3.505  -0.041   0.045  1.00  0.00           C  
HETATM    4  N   UNL     1       2.425  -0.982   0.368  1.00  0.00           N  
HETATM    5  C   UNL     1       1.714  -1.403  -0.845  1.00  0.00           C  
HETATM    6  C   UNL     1       1.013  -0.196  -1.480  1.00  0.00           C  
HETATM    7  C   UNL     1       0.073   0.422  -0.448  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.861   1.448  -1.077  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.396   2.415  -0.062  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.458   2.948  -0.279  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.673   2.749   1.208  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.057   1.485   1.810  1.00  0.00           C  
HETATM   13  C   UNL     1       0.853   0.842   0.787  1.00  0.00           C  
HETATM   14  C   UNL     1       1.511  -0.413   1.367  1.00  0.00           C  
HETATM   15  C   UNL     1       0.530  -1.471   1.844  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.735  -1.514   1.051  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.917  -0.613   0.027  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.086  -0.442  -0.699  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.140  -1.332  -0.461  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.938  -2.304   0.517  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.777  -2.399   1.266  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.308  -1.252  -1.153  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.966   0.611  -1.535  1.00  0.00           O  
HETATM   24  O   UNL     1       1.854   1.793   0.420  1.00  0.00           O  
HETATM   25  H   UNL     1       5.994  -0.995  -2.121  1.00  0.00           H  
HETATM   26  H   UNL     1       4.717   0.366  -2.252  1.00  0.00           H  
HETATM   27  H   UNL     1       5.109  -1.619   0.010  1.00  0.00           H  
HETATM   28  H   UNL     1       3.821   0.474   0.953  1.00  0.00           H  
HETATM   29  H   UNL     1       3.147   0.689  -0.680  1.00  0.00           H  
HETATM   30  H   UNL     1       2.426  -1.823  -1.555  1.00  0.00           H  
HETATM   31  H   UNL     1       0.972  -2.158  -0.587  1.00  0.00           H  
HETATM   32  H   UNL     1       1.757   0.541  -1.785  1.00  0.00           H  
HETATM   33  H   UNL     1       0.442  -0.521  -2.351  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.381   1.968  -1.906  1.00  0.00           H  
HETATM   35  H   UNL     1       0.117   3.467   0.988  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.369   3.188   1.923  1.00  0.00           H  
HETATM   37  H   UNL     1       0.515   1.746   2.700  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.848   0.783   2.073  1.00  0.00           H  
HETATM   39  H   UNL     1       2.106  -0.111   2.229  1.00  0.00           H  
HETATM   40  H   UNL     1       1.013  -2.447   1.784  1.00  0.00           H  
HETATM   41  H   UNL     1       0.280  -1.271   2.886  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.727  -3.019   0.700  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.685  -3.166   2.021  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.320  -1.778  -1.965  1.00  0.00           H  
HETATM   45  H   UNL     1       2.391   2.105   1.162  1.00  0.00           H  
CONECT    1    2    2   25   26                                       
CONECT    2    1    1    3   27                                       
CONECT    3    2    4   28   29                                       
CONECT    4   14    3    5                                            
CONECT    5    4    6   30   31                                       
CONECT    6    7    5   32   33                                       
CONECT    7   17   13    8    6                                       
CONECT    8    7   23    9   34                                       
CONECT    9   11    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   35   36                                       
CONECT   12   11   13   37   38                                       
CONECT   13   14   12    7   24                                       
CONECT   14   15    4   13   39                                       
CONECT   15   16   14   40   41                                       
CONECT   16   21   15   17   17                                       
CONECT   17   16   16   18    7                                       
CONECT   18   19   19   17   23                                       
CONECT   19   20   22   18   18                                       
CONECT   20   21   21   19   42                                       
CONECT   21   20   20   16   43                                       
CONECT   22   19   44                                                 
CONECT   23   18    8                                                 
CONECT   24   13   45                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
