COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.776  -3.473  -0.266  1.00  0.00           C  
HETATM    2  C   UNL     1       3.073  -2.108  -0.133  1.00  0.00           C  
HETATM    3  C   UNL     1       2.109  -1.177  -0.361  1.00  0.00           C  
HETATM    4  C   UNL     1       2.396   0.241  -0.148  1.00  0.00           C  
HETATM    5  C   UNL     1       1.468   1.215  -0.481  1.00  0.00           C  
HETATM    6  C   UNL     1       0.139   0.829  -1.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.909   0.731   0.033  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.259   0.339  -0.572  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.276   0.120   0.549  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.625  -0.272  -0.056  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.643  -0.491   1.066  1.00  0.00           C  
HETATM   12  N   UNL     1       1.770   2.521  -0.264  1.00  0.00           N  
HETATM   13  C   UNL     1       3.844  -4.505  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1       2.946   2.891   0.266  1.00  0.00           C  
HETATM   15  C   UNL     1       3.679   0.677   0.432  1.00  0.00           C  
HETATM   16  N   UNL     1       3.889   1.998   0.611  1.00  0.00           N  
HETATM   17  O   UNL     1      -2.716   1.384  -1.433  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.818  -0.925   1.410  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.083   0.773  -0.916  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.869  -0.970   0.510  1.00  0.00           O  
HETATM   21  O   UNL     1       3.166   4.074   0.439  1.00  0.00           O  
HETATM   22  O   UNL     1       4.527  -0.136   0.748  1.00  0.00           O  
HETATM   23  H   UNL     1       4.068  -1.796   0.149  1.00  0.00           H  
HETATM   24  H   UNL     1       1.130  -1.485  -0.698  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.168   1.584  -1.801  1.00  0.00           H  
HETATM   26  H   UNL     1       0.231  -0.136  -1.576  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.602  -0.024   0.757  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.001   1.696   0.532  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.146  -0.581  -1.145  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.388   1.040   1.123  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.513  -1.192  -0.629  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.253  -1.225   1.771  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.822   0.451   1.583  1.00  0.00           H  
HETATM   34  H   UNL     1       3.429  -5.502  -0.154  1.00  0.00           H  
HETATM   35  H   UNL     1       4.672  -4.351  -0.699  1.00  0.00           H  
HETATM   36  H   UNL     1       4.203  -4.407   1.017  1.00  0.00           H  
HETATM   37  H   UNL     1       4.727   2.306   0.991  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.839   2.234  -0.988  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.696  -1.775   0.966  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.206   1.623  -0.472  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.562  -1.131   1.165  1.00  0.00           H  
HETATM   42  O   UNL     1       1.657  -3.823  -0.583  1.00  0.00           O  
HETATM   43  H   UNL     1       1.120   3.203  -0.497  1.00  0.00           H  
CONECT    1   13    2   42   42                                       
CONECT    2    3    3    1   23                                       
CONECT    3    4    2    2   24                                       
CONECT    4    5    5   15    3                                       
CONECT    5   12    6    4    4                                       
CONECT    6    7    5   25   26                                       
CONECT    7    8    6   27   28                                       
CONECT    8    7    9   17   29                                       
CONECT    9   18    8   10   30                                       
CONECT   10   11    9   19   31                                       
CONECT   11   20   10   32   33                                       
CONECT   12   14    5   43                                            
CONECT   13    1   34   35   36                                       
CONECT   14   21   21   12   16                                       
CONECT   15   16    4   22   22                                       
CONECT   16   14   15   37                                            
CONECT   17    8   38                                                 
CONECT   18    9   39                                                 
CONECT   19   10   40                                                 
CONECT   20   11   41                                                 
CONECT   21   14   14                                                 
CONECT   22   15   15                                                 
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    7                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42    1    1                                                 
CONECT   43   12                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
