COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.534   1.608  -0.315  1.00  0.00           C  
HETATM    2  C   UNL     1       1.730   2.756  -0.409  1.00  0.00           C  
HETATM    3  C   UNL     1       2.362   3.992  -0.623  1.00  0.00           C  
HETATM    4  C   UNL     1       0.403   1.062  -0.081  1.00  0.00           C  
HETATM    5  N   UNL     1       3.687   4.017  -0.726  1.00  0.00           N  
HETATM    6  N   UNL     1       3.852   1.731  -0.427  1.00  0.00           N  
HETATM    7  C   UNL     1       4.401   2.911  -0.632  1.00  0.00           C  
HETATM    8  C   UNL     1       2.049  -0.852   0.058  1.00  0.00           C  
HETATM    9  C   UNL     1       1.227  -3.016  -0.016  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.138  -3.708   0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       1.728  -2.809   1.427  1.00  0.00           C  
HETATM   12  C   UNL     1       1.926  -1.278   1.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.304   1.429   0.075  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.698   0.827   0.261  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.747   1.938   0.191  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.121   1.345   0.374  1.00  0.00           C  
HETATM   17  N   UNL     1       1.621   5.159  -0.724  1.00  0.00           N  
HETATM   18  N   UNL     1       0.442   2.360  -0.258  1.00  0.00           N  
HETATM   19  N   UNL     1       1.674   0.554  -0.109  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.551  -4.008  -1.372  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.740  -5.071  -1.682  1.00  0.00           N1+
HETATM   22  N   UNL     1      -0.928  -6.135  -1.993  1.00  0.00           N1-
HETATM   23  O   UNL     1       1.111  -1.716  -0.619  1.00  0.00           O  
HETATM   24  O   UNL     1       2.967  -3.491   1.628  1.00  0.00           O  
HETATM   25  O   UNL     1       3.123  -0.972   2.262  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.247   0.155   0.543  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.203   2.138   0.350  1.00  0.00           O  
HETATM   28  S   UNL     1      -1.063   0.114   0.157  1.00  0.00           S  
HETATM   29  H   UNL     1       5.475   2.976  -0.722  1.00  0.00           H  
HETATM   30  H   UNL     1       3.062  -1.024  -0.308  1.00  0.00           H  
HETATM   31  H   UNL     1       1.942  -3.620  -0.573  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.067  -4.635   0.571  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.872  -3.051   0.467  1.00  0.00           H  
HETATM   34  H   UNL     1       0.982  -3.154   2.143  1.00  0.00           H  
HETATM   35  H   UNL     1       1.062  -0.808   2.012  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.248   1.922  -0.896  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.115   2.157   0.863  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.888   0.098  -0.528  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.754   0.334   1.231  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.558   2.666   0.980  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.691   2.431  -0.780  1.00  0.00           H  
HETATM   42  H   UNL     1       0.654   5.127  -0.646  1.00  0.00           H  
HETATM   43  H   UNL     1       2.068   6.006  -0.871  1.00  0.00           H  
HETATM   44  H   UNL     1       2.913  -4.449   1.509  1.00  0.00           H  
HETATM   45  H   UNL     1       3.095  -1.220   3.196  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.062   1.712   0.472  1.00  0.00           H  
CONECT    1    2   19    6    6                                       
CONECT    2   18    3    3    1                                       
CONECT    3   17    2    2    5                                       
CONECT    4   18   18   28   19                                       
CONECT    5    3    7    7                                            
CONECT    6    1    1    7                                            
CONECT    7    5    5    6   29                                       
CONECT    8   23   19   12   30                                       
CONECT    9   10   23   11   31                                       
CONECT   10   20    9   32   33                                       
CONECT   11    9   12   24   34                                       
CONECT   12    8   11   25   35                                       
CONECT   13   28   14   36   37                                       
CONECT   14   15   13   38   39                                       
CONECT   15   16   14   40   41                                       
CONECT   16   26   26   27   15                                       
CONECT   17    3   42   43                                            
CONECT   18    2    4    4                                            
CONECT   19    4    1    8                                            
CONECT   20   10   21   21                                            
CONECT   21   20   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23    9    8                                                 
CONECT   24   11   44                                                 
CONECT   25   12   45                                                 
CONECT   26   16   16                                                 
CONECT   27   16   46                                                 
CONECT   28    4   13                                                 
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
