COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.768   4.078   1.346  1.00  0.00           C  
HETATM    2  O   UNL     1       3.589   2.644   1.209  1.00  0.00           O  
HETATM    3  C   UNL     1       2.975   2.209   0.098  1.00  0.00           C  
HETATM    4  O   UNL     1       2.599   3.001  -0.734  1.00  0.00           O  
HETATM    5  C   UNL     1       2.754   0.733  -0.113  1.00  0.00           C  
HETATM    6  C   UNL     1       2.039   0.510  -1.447  1.00  0.00           C  
HETATM    7  N   UNL     1       0.681   1.060  -1.381  1.00  0.00           N  
HETATM    8  C   UNL     1       1.923  -0.968  -1.724  1.00  0.00           C  
HETATM    9  N   UNL     1       2.416  -1.625  -2.734  1.00  0.00           N  
HETATM   10  N   UNL     1       2.074  -2.864  -2.651  1.00  0.00           N  
HETATM   11  C   UNL     1       1.356  -3.057  -1.575  1.00  0.00           C  
HETATM   12  C   UNL     1       0.748  -4.360  -1.124  1.00  0.00           C  
HETATM   13  N   UNL     1       1.263  -1.859  -0.942  1.00  0.00           N  
HETATM   14  C   UNL     1       0.653  -1.583   0.284  1.00  0.00           C  
HETATM   15  C   UNL     1       0.710  -2.552   1.280  1.00  0.00           C  
HETATM   16  C   UNL     1       0.152  -2.316   2.519  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.470  -1.102   2.780  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.006  -0.863   4.006  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.893  -1.905   4.977  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.544  -0.137   1.796  1.00  0.00           C  
HETATM   21  C   UNL     1       0.004  -0.371   0.526  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.174   0.661  -0.503  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.495   1.322  -0.536  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.651   0.587  -0.863  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.901  -0.809  -1.215  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.223  -0.930  -1.426  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.837   0.276  -1.237  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.903   1.227  -0.891  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.986   2.583  -0.595  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.848   3.295  -0.275  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.610   2.677  -0.238  1.00  0.00           C  
HETATM   32  H   UNL     1       4.368   4.450   0.515  1.00  0.00           H  
HETATM   33  H   UNL     1       2.794   4.568   1.339  1.00  0.00           H  
HETATM   34  H   UNL     1       4.276   4.293   2.286  1.00  0.00           H  
HETATM   35  H   UNL     1       3.716   0.220  -0.126  1.00  0.00           H  
HETATM   36  H   UNL     1       2.142   0.338   0.698  1.00  0.00           H  
HETATM   37  H   UNL     1       2.596   0.994  -2.250  1.00  0.00           H  
HETATM   38  H   UNL     1       1.456  -4.889  -0.484  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.167  -4.161  -0.566  1.00  0.00           H  
HETATM   40  H   UNL     1       0.517  -4.974  -1.994  1.00  0.00           H  
HETATM   41  H   UNL     1       1.194  -3.497   1.082  1.00  0.00           H  
HETATM   42  H   UNL     1       0.198  -3.076   3.286  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.393  -2.801   4.609  1.00  0.00           H  
HETATM   44  H   UNL     1       0.160  -2.124   5.155  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.360  -1.586   5.909  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.028   0.806   2.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.163  -1.594  -1.291  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.725  -1.845  -1.704  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.789   0.438  -1.333  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.944   3.081  -0.615  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.924   4.348  -0.047  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.730   3.248   0.019  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   35   36                                       
CONECT    6    5    8    7   37                                       
CONECT    7    6   22   22                                            
CONECT    8    6    9    9   13                                       
CONECT    9    8    8   10                                            
CONECT   10    9   11   11                                            
CONECT   11   10   10   13   12                                       
CONECT   12   11   38   39   40                                       
CONECT   13    8   11   14                                            
CONECT   14   13   21   21   15                                       
CONECT   15   14   16   16   41                                       
CONECT   16   15   15   17   42                                       
CONECT   17   20   20   16   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   43   44   45                                       
CONECT   20   21   17   17   46                                       
CONECT   21   22   14   14   20                                       
CONECT   22    7    7   23   21                                       
CONECT   23   24   22   31   31                                       
CONECT   24   25   28   28   23                                       
CONECT   25   26   26   24   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   49                                            
CONECT   28   27   24   24   29                                       
CONECT   29   28   30   30   50                                       
CONECT   30   29   29   31   51                                       
CONECT   31   23   23   30   52                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
