COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.891  -0.514   0.069  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.041  -1.611   0.111  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.561  -2.904   0.072  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.908  -3.105  -0.010  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.780  -2.011  -0.054  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.262  -0.705  -0.008  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.232  -2.227  -0.141  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.734  -3.476  -0.063  1.00  0.00           N  
HETATM    9  O   UNL     1      -4.981  -1.280  -0.285  1.00  0.00           O  
HETATM   10  N   UNL     1       0.355  -4.066   0.117  1.00  0.00           N1+
HETATM   11  O   UNL     1       1.346  -4.034   0.824  1.00  0.00           O  
HETATM   12  O   UNL     1       0.117  -5.056  -0.553  1.00  0.00           O1-
HETATM   13  N   UNL     1      -3.118   0.388  -0.051  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.586   1.743   0.116  1.00  0.00           C  
HETATM   15  N   UNL     1       1.334  -1.419   0.193  1.00  0.00           N  
HETATM   16  C   UNL     1       1.889  -0.065   0.134  1.00  0.00           C  
HETATM   17  C   UNL     1       3.414  -0.134   0.245  1.00  0.00           C  
HETATM   18  C   UNL     1       3.994   1.281   0.184  1.00  0.00           C  
HETATM   19  C   UNL     1       7.551   2.434   0.640  1.00  0.00           C  
HETATM   20  C   UNL     1       6.033   2.555   0.474  1.00  0.00           C  
HETATM   21  N   UNL     1       5.457   1.214   0.290  1.00  0.00           N  
HETATM   22  C   UNL     1       6.042   0.553  -0.885  1.00  0.00           C  
HETATM   23  C   UNL     1       7.559   0.452  -0.706  1.00  0.00           C  
HETATM   24  O   UNL     1       8.098   1.760  -0.497  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.757   4.532  -0.047  1.00  0.00           C  
HETATM   26  N   UNL     1      -5.386   3.993   1.098  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.399   3.121   1.166  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.713   2.739   0.029  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.075   3.285  -1.194  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.118   4.198  -1.226  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.485   0.487   0.100  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.303  -4.110  -0.040  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.137  -4.232   0.052  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.692  -3.619  -0.120  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.069   0.254  -0.191  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.102   1.826   1.089  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.859   1.947  -0.671  1.00  0.00           H  
HETATM   38  H   UNL     1       1.925  -2.182   0.289  1.00  0.00           H  
HETATM   39  H   UNL     1       1.614   0.400  -0.812  1.00  0.00           H  
HETATM   40  H   UNL     1       1.491   0.527   0.959  1.00  0.00           H  
HETATM   41  H   UNL     1       3.688  -0.599   1.192  1.00  0.00           H  
HETATM   42  H   UNL     1       3.812  -0.726  -0.579  1.00  0.00           H  
HETATM   43  H   UNL     1       3.719   1.745  -0.763  1.00  0.00           H  
HETATM   44  H   UNL     1       3.596   1.872   1.008  1.00  0.00           H  
HETATM   45  H   UNL     1       7.989   3.429   0.719  1.00  0.00           H  
HETATM   46  H   UNL     1       7.774   1.865   1.542  1.00  0.00           H  
HETATM   47  H   UNL     1       5.606   3.016   1.364  1.00  0.00           H  
HETATM   48  H   UNL     1       5.810   3.170  -0.398  1.00  0.00           H  
HETATM   49  H   UNL     1       5.620  -0.447  -0.987  1.00  0.00           H  
HETATM   50  H   UNL     1       5.819   1.135  -1.779  1.00  0.00           H  
HETATM   51  H   UNL     1       7.783  -0.175   0.157  1.00  0.00           H  
HETATM   52  H   UNL     1       8.003   0.013  -1.599  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.573   5.240  -0.064  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.123   2.701   2.122  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.557   3.005  -2.099  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.429   4.640  -2.161  1.00  0.00           H  
CONECT    1    2   31    6    6                                       
CONECT    2    1   15    3    3                                       
CONECT    3   10    2    2    4                                       
CONECT    4    3   32    5    5                                       
CONECT    5    4    4    6    7                                       
CONECT    6    5    1    1   13                                       
CONECT    7    5    8    9    9                                       
CONECT    8    7   33   34                                            
CONECT    9    7    7                                                 
CONECT   10    3   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   10                                                      
CONECT   13    6   14   35                                            
CONECT   14   13   28   36   37                                       
CONECT   15    2   16   38                                            
CONECT   16   15   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   17   21   43   44                                       
CONECT   19   45   46   20   24                                       
CONECT   20   19   47   48   21                                       
CONECT   21   18   20   22                                            
CONECT   22   21   23   49   50                                       
CONECT   23   22   51   52   24                                       
CONECT   24   19   23                                                 
CONECT   25   30   53   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   28   28   26   54                                       
CONECT   28   14   27   27   29                                       
CONECT   29   28   30   30   55                                       
CONECT   30   25   29   29   56                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   25                                                      
CONECT   54   27                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
