COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.659   3.399   2.392  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.339  -0.035   1.342  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.988  -0.614   1.008  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.595  -1.862   1.299  1.00  0.00           C  
HETATM    5  C   UNL     1       0.778  -1.986   0.793  1.00  0.00           C  
HETATM    6  C   UNL     1       1.723  -3.012   0.783  1.00  0.00           C  
HETATM    7  C   UNL     1       2.959  -2.801   0.211  1.00  0.00           C  
HETATM    8  C   UNL     1       3.270  -1.576  -0.355  1.00  0.00           C  
HETATM    9  C   UNL     1       2.341  -0.541  -0.354  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.291  -0.292   0.202  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.916   0.021  -1.092  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.041  -0.765  -1.892  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.946  -1.008  -2.975  1.00  0.00           C  
HETATM   14  C   UNL     1       2.684   0.768  -0.961  1.00  0.00           C  
HETATM   15  C   UNL     1       1.815   1.362  -1.877  1.00  0.00           C  
HETATM   16  C   UNL     1       2.131   2.581  -2.444  1.00  0.00           C  
HETATM   17  C   UNL     1       3.308   3.220  -2.110  1.00  0.00           C  
HETATM   18  C   UNL     1       4.187   2.636  -1.194  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.516   2.068   2.568  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.399   3.605   1.337  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.751   2.424   0.807  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.208   1.450   1.562  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.760   1.408   3.635  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.841  -0.651   2.530  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.004   0.044   0.370  1.00  0.00           O  
HETATM   26  C   UNL     1       1.082  -0.740   0.223  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.783  -0.211  -2.140  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.410  -1.084  -0.584  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.534  -0.846   0.454  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.664  -1.201  -3.833  1.00  0.00           N  
HETATM   31  C   UNL     1       3.869   1.408  -0.615  1.00  0.00           C  
HETATM   32  C   UNL     1       5.408   3.299  -0.848  1.00  0.00           C  
HETATM   33  N   UNL     1       6.377   3.824  -0.573  1.00  0.00           N  
HETATM   34  N   UNL     1       3.961  -3.890   0.201  1.00  0.00           N1+
HETATM   35  O   UNL     1       3.692  -4.969   0.698  1.00  0.00           O1-
HETATM   36  O   UNL     1       5.055  -3.708  -0.303  1.00  0.00           O  
HETATM   37  H   UNL     1      -1.236   4.166   3.023  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.171  -2.622   1.804  1.00  0.00           H  
HETATM   39  H   UNL     1       1.487  -3.970   1.223  1.00  0.00           H  
HETATM   40  H   UNL     1       4.242  -1.422  -0.800  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.943   0.449  -1.283  1.00  0.00           H  
HETATM   42  H   UNL     1       0.892   0.867  -2.143  1.00  0.00           H  
HETATM   43  H   UNL     1       1.455   3.036  -3.152  1.00  0.00           H  
HETATM   44  H   UNL     1       3.550   4.173  -2.557  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.362   2.280  -0.072  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.415   1.231   4.488  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.371   0.457   3.271  1.00  0.00           H  
HETATM   48  H   UNL     1       0.070   2.046   3.941  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.950  -1.609   2.460  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.490   0.035  -3.150  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.379  -1.517  -0.385  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.818  -1.092   1.467  1.00  0.00           H  
HETATM   53  H   UNL     1       4.543   0.954   0.097  1.00  0.00           H  
CONECT    1   19   20   20   37                                       
CONECT    2    3   10   22   24                                       
CONECT    3    2    4    4   25                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   26                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   34                                       
CONECT    8    7    7    9   40                                       
CONECT    9    8   14   26   26                                       
CONECT   10    2   11   11   29                                       
CONECT   11   10   10   27   41                                       
CONECT   12   13   27   27   28                                       
CONECT   13   12   30   30   30                                       
CONECT   14    9   15   15   31                                       
CONECT   15   14   14   16   42                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16   18   44                                       
CONECT   18   17   31   31   32                                       
CONECT   19    1   22   23                                            
CONECT   20    1    1   21                                            
CONECT   21   20   22   22   45                                       
CONECT   22    2   19   21   21                                       
CONECT   23   19   46   47   48                                       
CONECT   24    2   49                                                 
CONECT   25    3   26                                                 
CONECT   26    5    9    9   25                                       
CONECT   27   11   12   12   50                                       
CONECT   28   12   29   29   51                                       
CONECT   29   10   28   28   52                                       
CONECT   30   13   13   13                                            
CONECT   31   14   18   18   53                                       
CONECT   32   18   33   33   33                                       
CONECT   33   32   32   32                                            
CONECT   34    7   35   36   36                                       
CONECT   35   34                                                      
CONECT   36   34   34                                                 
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41   11                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   31                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
