COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.713  -2.417   0.327  1.00  0.00           C  
HETATM    2  C   UNL     1       5.417  -1.882   0.242  1.00  0.00           C  
HETATM    3  C   UNL     1       5.271  -0.485   0.287  1.00  0.00           C  
HETATM    4  N   UNL     1       6.356   0.274   0.406  1.00  0.00           N  
HETATM    5  C   UNL     1       7.551  -0.272   0.482  1.00  0.00           C  
HETATM    6  N   UNL     1       7.738  -1.579   0.445  1.00  0.00           N  
HETATM    7  N   UNL     1       3.925  -0.241   0.187  1.00  0.00           N  
HETATM    8  C   UNL     1       3.298  -1.448   0.086  1.00  0.00           C  
HETATM    9  N   UNL     1       4.175  -2.409   0.119  1.00  0.00           N  
HETATM   10  C   UNL     1       3.279   1.074   0.188  1.00  0.00           C  
HETATM   11  O   UNL     1       1.877   0.952   0.511  1.00  0.00           O  
HETATM   12  C   UNL     1       1.227   2.132   0.010  1.00  0.00           C  
HETATM   13  C   UNL     1       2.068   2.652  -1.171  1.00  0.00           C  
HETATM   14  C   UNL     1       3.270   1.678  -1.239  1.00  0.00           C  
HETATM   15  O   UNL     1       4.484   2.384  -1.502  1.00  0.00           O  
HETATM   16  O   UNL     1       2.518   3.984  -0.916  1.00  0.00           O  
HETATM   17  N   UNL     1      -2.397   1.037   0.269  1.00  0.00           N1+
HETATM   18  C   UNL     1      -3.220   0.640   1.418  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.610   0.298   0.946  1.00  0.00           C  
HETATM   20  N   UNL     1       6.918  -3.785   0.294  1.00  0.00           N  
HETATM   21  C   UNL     1      -5.578   1.309   0.779  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.796   0.988   0.363  1.00  0.00           N  
HETATM   23  C   UNL     1      -7.114  -0.279   0.101  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.212  -1.266   0.251  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.946  -0.984   0.671  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.262   2.621   1.047  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.591  -2.650  -0.044  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.655  -2.835  -1.459  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.382  -3.031  -2.079  1.00  0.00           C  
HETATM   30  O   UNL     1      -8.241  -0.549  -0.281  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.184   1.784  -0.469  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.042   1.371   0.729  1.00  0.00           C  
HETATM   33  H   UNL     1       8.412   0.373   0.578  1.00  0.00           H  
HETATM   34  H   UNL     1       2.230  -1.586  -0.006  1.00  0.00           H  
HETATM   35  H   UNL     1       3.780   1.745   0.886  1.00  0.00           H  
HETATM   36  H   UNL     1       1.179   2.889   0.793  1.00  0.00           H  
HETATM   37  H   UNL     1       1.492   2.615  -2.095  1.00  0.00           H  
HETATM   38  H   UNL     1       3.102   0.905  -1.988  1.00  0.00           H  
HETATM   39  H   UNL     1       4.526   2.781  -2.383  1.00  0.00           H  
HETATM   40  H   UNL     1       3.053   4.362  -1.628  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.350   0.275  -0.391  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.808   1.843  -0.178  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.776  -0.231   1.900  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.271   1.463   2.131  1.00  0.00           H  
HETATM   45  H   UNL     1       6.162  -4.387   0.212  1.00  0.00           H  
HETATM   46  H   UNL     1       7.818  -4.142   0.353  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.222  -1.777   0.791  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.371   2.852   1.351  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.931   3.314   0.931  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.848  -3.328   0.378  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.566  -2.861   0.395  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.752  -2.160  -1.896  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.907  -3.918  -1.660  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.517  -3.164  -3.152  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.629   2.655  -0.951  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.133   0.961  -1.181  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.093   2.194   1.441  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.597   0.500   1.211  1.00  0.00           H  
CONECT    1   20    2    2    6                                       
CONECT    2    1    1    9    3                                       
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    5                                            
CONECT    5    6    6    4   33                                       
CONECT    6    1    5    5                                            
CONECT    7    8    3   10                                            
CONECT    8    9    9    7   34                                       
CONECT    9    2    8    8                                            
CONECT   10    7   14   11   35                                       
CONECT   11   10   12                                                 
CONECT   12   11   31   13   36                                       
CONECT   13   14   12   16   37                                       
CONECT   14   10   15   13   38                                       
CONECT   15   14   39                                                 
CONECT   16   13   40                                                 
CONECT   17   32   18   41   42                                       
CONECT   18   17   19   43   44                                       
CONECT   19   25   25   18   21                                       
CONECT   20    1   45   46                                            
CONECT   21   19   22   22   26                                       
CONECT   22   23   21   21                                            
CONECT   23   24   30   30   22                                       
CONECT   24   27   25   23                                            
CONECT   25   24   19   19   47                                       
CONECT   26   21   48   49                                            
CONECT   27   28   24   50   51                                       
CONECT   28   27   29                                                 
CONECT   29   28   52   53   54                                       
CONECT   30   23   23                                                 
CONECT   31   12   32   55   56                                       
CONECT   32   31   17   57   58                                       
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
