COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.736  -2.240   0.034  1.00  0.00           C  
HETATM    2  C   UNL     1       5.655  -1.296   0.468  1.00  0.00           C  
HETATM    3  C   UNL     1       5.297   0.040   0.513  1.00  0.00           C  
HETATM    4  C   UNL     1       4.026   0.444   0.129  1.00  0.00           C  
HETATM    5  C   UNL     1       3.117  -0.497  -0.311  1.00  0.00           C  
HETATM    6  C   UNL     1       3.477  -1.837  -0.357  1.00  0.00           C  
HETATM    7  C   UNL     1       3.700   1.911   0.227  1.00  0.00           C  
HETATM    8  C   UNL     1       2.439   2.253  -0.567  1.00  0.00           C  
HETATM    9  C   UNL     1       1.349   1.251  -0.187  1.00  0.00           C  
HETATM   10  C   UNL     1       1.740  -0.114  -0.768  1.00  0.00           C  
HETATM   11  C   UNL     1       0.009   1.621  -0.788  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.013   0.576  -0.260  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.692  -0.759  -0.900  1.00  0.00           C  
HETATM   14  C   UNL     1       0.711  -1.181  -0.422  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.611   2.933  -0.295  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.125   2.729  -0.573  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.361   1.198  -0.605  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.365   0.818   0.393  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.888   0.459   1.260  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.564   1.648   1.584  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.132  -0.334   0.208  1.00  0.00           C  
HETATM   22  O   UNL     1       6.902  -1.682   0.847  1.00  0.00           O  
HETATM   23  H   UNL     1       5.006  -3.285  -0.001  1.00  0.00           H  
HETATM   24  H   UNL     1       6.013   0.775   0.851  1.00  0.00           H  
HETATM   25  H   UNL     1       2.760  -2.571  -0.694  1.00  0.00           H  
HETATM   26  H   UNL     1       3.545   2.174   1.273  1.00  0.00           H  
HETATM   27  H   UNL     1       4.536   2.490  -0.167  1.00  0.00           H  
HETATM   28  H   UNL     1       2.112   3.263  -0.320  1.00  0.00           H  
HETATM   29  H   UNL     1       2.647   2.184  -1.635  1.00  0.00           H  
HETATM   30  H   UNL     1       1.275   1.181   0.898  1.00  0.00           H  
HETATM   31  H   UNL     1       1.760  -0.023  -1.854  1.00  0.00           H  
HETATM   32  H   UNL     1       0.059   1.593  -1.877  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.427  -1.503  -0.592  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.698  -0.659  -1.986  1.00  0.00           H  
HETATM   35  H   UNL     1       0.988  -2.118  -0.906  1.00  0.00           H  
HETATM   36  H   UNL     1       0.693  -1.327   0.658  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.429   3.068   0.772  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.225   3.779  -0.863  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.716   3.182   0.222  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.391   3.168  -1.535  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.678   0.885  -1.599  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.981   1.448   1.709  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.678  -0.189   1.641  1.00  0.00           H  
HETATM   44  H   UNL     1       0.084   0.035   1.513  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.299   2.423   1.368  1.00  0.00           H  
HETATM   46  C   UNL     1      -4.608  -2.337  -1.021  1.00  0.00           C  
HETATM   47  H   UNL     1      -3.922   1.025   2.404  1.00  0.00           H  
HETATM   48  H   UNL     1       7.548  -1.689   0.126  1.00  0.00           H  
HETATM   49  C   UNL     1      -5.181  -0.618   1.073  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.938  -1.758   0.887  1.00  0.00           C  
HETATM   51  C   UNL     1      -5.652  -2.617  -0.158  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.851  -1.196  -0.845  1.00  0.00           C  
HETATM   53  H   UNL     1      -5.404   0.052   1.890  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.753  -1.980   1.560  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.246  -3.508  -0.302  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.036  -0.978  -1.520  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.618   2.111   1.866  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.391  -3.008  -1.840  1.00  0.00           H  
CONECT    1    2    2    6   23                                       
CONECT    2    3   22    1    1                                       
CONECT    3    4    4    2   24                                       
CONECT    4    7    3    3    5                                       
CONECT    5    4   10    6    6                                       
CONECT    6    5    5    1   25                                       
CONECT    7    8    4   26   27                                       
CONECT    8    7    9   28   29                                       
CONECT    9    8   11   10   30                                       
CONECT   10    9    5   14   31                                       
CONECT   11   15    9   12   32                                       
CONECT   12   11   17   19   13                                       
CONECT   13   12   14   33   34                                       
CONECT   14   10   13   35   36                                       
CONECT   15   16   11   37   38                                       
CONECT   16   15   17   39   40                                       
CONECT   17   16   12   18   41                                       
CONECT   18   17   20   21                                            
CONECT   19   12   42   43   44                                       
CONECT   20   18   45   47   57                                       
CONECT   21   49   52   52   18                                       
CONECT   22    2   48                                                 
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   51   51   52   58                                       
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   21   50   50   53                                       
CONECT   50   49   49   51   54                                       
CONECT   51   50   46   46   55                                       
CONECT   52   46   21   21   56                                       
CONECT   53   49                                                      
CONECT   54   50                                                      
CONECT   55   51                                                      
CONECT   56   52                                                      
CONECT   57   20                                                      
CONECT   58   46                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
