COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.982   4.848  -0.808  1.00  0.00           C  
HETATM    2  O   UNL     1       4.025   4.042  -1.497  1.00  0.00           O  
HETATM    3  C   UNL     1       3.128   3.361  -0.733  1.00  0.00           C  
HETATM    4  C   UNL     1       3.168   3.474   0.649  1.00  0.00           C  
HETATM    5  C   UNL     1       2.258   2.783   1.425  1.00  0.00           C  
HETATM    6  C   UNL     1       2.171   2.559  -1.337  1.00  0.00           C  
HETATM    7  C   UNL     1       1.260   1.868  -0.563  1.00  0.00           C  
HETATM    8  C   UNL     1       1.303   1.976   0.821  1.00  0.00           C  
HETATM    9  N   UNL     1       0.381   1.275   1.607  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.632   0.547   1.003  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.938   1.023   0.979  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.923   0.264   0.364  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.231   0.734   0.336  1.00  0.00           N  
HETATM   14  C   UNL     1      -5.214  -0.039  -0.166  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.945  -1.108  -0.678  1.00  0.00           O  
HETATM   16  N   UNL     1      -6.496   0.374  -0.100  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.565  -0.467  -0.646  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.913   0.228  -0.444  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.637  -0.904  -0.198  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.417  -1.397  -0.201  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.364  -0.697   0.391  1.00  0.00           C  
HETATM   22  C   UNL     1       1.000  -1.248   0.381  1.00  0.00           C  
HETATM   23  O   UNL     1       1.889  -0.683   0.989  1.00  0.00           O  
HETATM   24  N   UNL     1       1.265  -2.380  -0.301  1.00  0.00           N  
HETATM   25  C   UNL     1       2.531  -2.969  -0.215  1.00  0.00           C  
HETATM   26  C   UNL     1       3.256  -2.916   0.973  1.00  0.00           C  
HETATM   27  C   UNL     1       4.505  -3.514   1.009  1.00  0.00           C  
HETATM   28  C   UNL     1       4.988  -4.138  -0.126  1.00  0.00           C  
HETATM   29  N   UNL     1       4.277  -4.170  -1.237  1.00  0.00           N  
HETATM   30  C   UNL     1       3.082  -3.619  -1.312  1.00  0.00           C  
HETATM   31  H   UNL     1       4.464   5.606  -0.221  1.00  0.00           H  
HETATM   32  H   UNL     1       5.579   4.220  -0.147  1.00  0.00           H  
HETATM   33  H   UNL     1       5.635   5.335  -1.533  1.00  0.00           H  
HETATM   34  H   UNL     1       3.911   4.102   1.118  1.00  0.00           H  
HETATM   35  H   UNL     1       2.289   2.871   2.501  1.00  0.00           H  
HETATM   36  H   UNL     1       2.138   2.476  -2.413  1.00  0.00           H  
HETATM   37  H   UNL     1       0.515   1.244  -1.033  1.00  0.00           H  
HETATM   38  H   UNL     1       0.450   1.300   2.574  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.183   1.972   1.433  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.436   1.618   0.678  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.710   1.227   0.309  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.394  -0.626  -1.711  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.570  -1.427  -0.131  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.907   1.189  -0.959  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.708  -0.397  -0.850  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.084   0.387   0.621  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.227  -2.351  -0.669  1.00  0.00           H  
HETATM   48  H   UNL     1       0.578  -2.786  -0.852  1.00  0.00           H  
HETATM   49  H   UNL     1       2.854  -2.421   1.845  1.00  0.00           H  
HETATM   50  H   UNL     1       5.095  -3.492   1.913  1.00  0.00           H  
HETATM   51  H   UNL     1       5.962  -4.605  -0.104  1.00  0.00           H  
HETATM   52  H   UNL     1       2.527  -3.671  -2.237  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3                                                 
CONECT    3    2    6    6    4                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    8   35                                       
CONECT    6    3    3    7   36                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    5    9                                       
CONECT    9    8   10   38                                            
CONECT   10   11    9   21   21                                       
CONECT   11   12   12   10   39                                       
CONECT   12   13   11   11   19                                       
CONECT   13   14   12   40                                            
CONECT   14   16   15   15   13                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   41                                            
CONECT   17   18   16   42   43                                       
CONECT   18   17   44   45   46                                       
CONECT   19   12   20   20                                            
CONECT   20   19   19   21   47                                       
CONECT   21   10   10   20   22                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   48                                            
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   28   28   50                                       
CONECT   28   27   27   29   51                                       
CONECT   29   30   30   28                                            
CONECT   30   25   29   29   52                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
