COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.494  -0.910  -0.448  1.00  0.00           C  
HETATM    2  N   UNL     1       6.304  -0.424  -0.729  1.00  0.00           N  
HETATM    3  C   UNL     1       5.751   0.505   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       6.457   0.963   1.171  1.00  0.00           C  
HETATM    5  C   UNL     1       7.724   0.414   1.428  1.00  0.00           C  
HETATM    6  N   UNL     1       8.194  -0.511   0.598  1.00  0.00           N  
HETATM    7  N   UNL     1       8.466   0.826   2.522  1.00  0.00           N  
HETATM    8  N   UNL     1       5.680   1.893   1.777  1.00  0.00           N  
HETATM    9  C   UNL     1       4.571   2.032   1.111  1.00  0.00           C  
HETATM   10  N   UNL     1       4.567   1.197   0.034  1.00  0.00           N  
HETATM   11  C   UNL     1       3.494   1.062  -0.955  1.00  0.00           C  
HETATM   12  C   UNL     1       2.513  -0.054  -0.535  1.00  0.00           C  
HETATM   13  C   UNL     1       1.128   0.484  -0.958  1.00  0.00           C  
HETATM   14  C   UNL     1       1.436   1.863  -1.583  1.00  0.00           C  
HETATM   15  O   UNL     1       2.692   2.263  -0.993  1.00  0.00           O  
HETATM   16  C   UNL     1       0.337   2.867  -1.228  1.00  0.00           C  
HETATM   17  O   UNL     1       0.580   4.099  -1.909  1.00  0.00           O  
HETATM   18  O   UNL     1       0.278   0.630   0.182  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.112   0.456  -0.103  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.939   0.874   1.115  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.422   0.628   0.824  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.623  -0.847   0.464  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.730  -1.200  -0.729  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.368  -0.918  -0.402  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.880  -2.687  -1.056  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.138  -2.991  -2.239  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.991  -1.074   0.122  1.00  0.00           O  
HETATM   28  P   UNL     1      -5.936  -2.105   0.919  1.00  0.00           P  
HETATM   29  O   UNL     1      -7.365  -2.203   0.184  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.300  -3.441   0.942  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.144  -1.584   2.429  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.837   1.447  -0.271  1.00  0.00           O  
HETATM   33  P   UNL     1      -5.004   2.550  -0.149  1.00  0.00           P  
HETATM   34  O   UNL     1      -5.115   3.370  -1.530  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.405   1.817   0.154  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.687   3.483   0.955  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.729   2.263   1.380  1.00  0.00           O  
HETATM   38  O   UNL     1       2.810  -1.269  -1.227  1.00  0.00           O  
HETATM   39  P   UNL     1       3.174  -2.642  -0.471  1.00  0.00           P  
HETATM   40  O   UNL     1       4.564  -2.466   0.323  1.00  0.00           O  
HETATM   41  O   UNL     1       2.098  -2.979   0.487  1.00  0.00           O  
HETATM   42  O   UNL     1       3.321  -3.827  -1.552  1.00  0.00           O  
HETATM   43  H   UNL     1       7.912  -1.667  -1.096  1.00  0.00           H  
HETATM   44  H   UNL     1       8.111   1.502   3.121  1.00  0.00           H  
HETATM   45  H   UNL     1       9.340   0.440   2.689  1.00  0.00           H  
HETATM   46  H   UNL     1       3.771   2.709   1.373  1.00  0.00           H  
HETATM   47  H   UNL     1       3.909   0.852  -1.940  1.00  0.00           H  
HETATM   48  H   UNL     1       2.549  -0.210   0.543  1.00  0.00           H  
HETATM   49  H   UNL     1       0.669  -0.177  -1.693  1.00  0.00           H  
HETATM   50  H   UNL     1       1.534   1.776  -2.665  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.631   2.468  -1.531  1.00  0.00           H  
HETATM   52  H   UNL     1       0.338   3.040  -0.152  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.079   4.784  -1.730  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.387   1.072  -0.959  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.635   0.287   1.981  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.013   0.872   1.707  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.353  -1.470   1.317  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.027  -0.606  -1.593  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.499  -3.282  -0.226  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.932  -2.920  -1.217  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.187  -3.919  -2.507  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.987  -2.807   0.612  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.557  -0.712   2.491  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.800   4.052  -1.528  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.677   1.189  -0.529  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.808   2.492   1.569  1.00  0.00           H  
HETATM   67  H   UNL     1       5.315  -2.244  -0.244  1.00  0.00           H  
HETATM   68  H   UNL     1       3.540  -4.686  -1.166  1.00  0.00           H  
CONECT    1    2    2    6   43                                       
CONECT    2    1    1    3                                            
CONECT    3    2   10    4    4                                       
CONECT    4    3    3    8    5                                       
CONECT    5    6    6    4    7                                       
CONECT    6    1    5    5                                            
CONECT    7    5   44   45                                            
CONECT    8    9    9    4                                            
CONECT    9   10    8    8   46                                       
CONECT   10   11    3    9                                            
CONECT   11   15   12   10   47                                       
CONECT   12   38   11   13   48                                       
CONECT   13   12   14   18   49                                       
CONECT   14   15   13   16   50                                       
CONECT   15   11   14                                                 
CONECT   16   14   17   51   52                                       
CONECT   17   16   53                                                 
CONECT   18   13   19                                                 
CONECT   19   18   20   24   54                                       
CONECT   20   37   19   21   55                                       
CONECT   21   20   22   32   56                                       
CONECT   22   23   27   21   57                                       
CONECT   23   24   25   22   58                                       
CONECT   24   19   23                                                 
CONECT   25   23   26   59   60                                       
CONECT   26   25   61                                                 
CONECT   27   22   28                                                 
CONECT   28   27   30   30   31                                       
CONECT   28   29                                                      
CONECT   29   28   62                                                 
CONECT   30   28   28                                                 
CONECT   31   28   63                                                 
CONECT   32   21   33                                                 
CONECT   33   32   36   36   35                                       
CONECT   33   34                                                      
CONECT   34   33   64                                                 
CONECT   35   33   65                                                 
CONECT   36   33   33                                                 
CONECT   37   20   66                                                 
CONECT   38   39   12                                                 
CONECT   39   41   41   42   38                                       
CONECT   39   40                                                      
CONECT   40   39   67                                                 
CONECT   41   39   39                                                 
CONECT   42   39   68                                                 
CONECT   43    1                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   37                                                      
CONECT   67   40                                                      
CONECT   68   42                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
