COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.016   0.888   1.106  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.729   0.722  -0.406  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.353   0.721  -0.525  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.787  -0.705  -1.505  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.327  -1.650  -0.131  1.00  0.00           C  
HETATM    6  N   UNL     1       4.010   1.740   0.417  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.404  -0.458  -0.151  1.00  0.00           C  
HETATM    8  O   UNL     1       7.127  -3.189  -0.113  1.00  0.00           O1-
HETATM    9  N   UNL     1       6.185  -2.494   0.224  1.00  0.00           N1+
HETATM   10  O   UNL     1       5.245  -2.990   0.820  1.00  0.00           O  
HETATM   11  C   UNL     1       6.182  -1.048  -0.091  1.00  0.00           C  
HETATM   12  C   UNL     1       7.252  -0.496  -0.767  1.00  0.00           C  
HETATM   13  C   UNL     1       7.244   0.861  -1.060  1.00  0.00           C  
HETATM   14  C   UNL     1       6.156   1.616  -0.662  1.00  0.00           C  
HETATM   15  N   UNL     1       5.154  -0.304   0.273  1.00  0.00           N  
HETATM   16  C   UNL     1       5.112   0.994   0.016  1.00  0.00           C  
HETATM   17  C   UNL     1       3.304   2.319  -0.754  1.00  0.00           C  
HETATM   18  C   UNL     1       1.892   2.632  -0.198  1.00  0.00           C  
HETATM   19  C   UNL     1       1.623   1.442   0.752  1.00  0.00           C  
HETATM   20  N   UNL     1       0.826   0.418   0.072  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.520   0.472   0.118  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.298   1.736   0.969  1.00  0.00           S  
HETATM   23  N   UNL     1      -1.253  -0.471  -0.508  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.647  -0.466  -0.388  1.00  0.00           C  
HETATM   25  S   UNL     1      -7.158  -0.451   0.006  1.00  0.00           S  
HETATM   26  O   UNL     1      -7.523   0.872   0.375  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.496  -1.594   0.779  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.703  -1.643  -0.019  1.00  0.00           C  
HETATM   29  H   UNL     1       3.105  -0.142   0.759  1.00  0.00           H  
HETATM   30  H   UNL     1       3.171   0.934   2.184  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.279   1.646  -0.509  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.827   1.643  -0.725  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.194  -0.823  -2.263  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.748  -0.737  -1.631  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.781  -2.576  -0.028  1.00  0.00           H  
HETATM   36  H   UNL     1       8.086  -1.114  -1.064  1.00  0.00           H  
HETATM   37  H   UNL     1       8.069   1.317  -1.587  1.00  0.00           H  
HETATM   38  H   UNL     1       6.117   2.674  -0.873  1.00  0.00           H  
HETATM   39  H   UNL     1       3.797   3.232  -1.087  1.00  0.00           H  
HETATM   40  H   UNL     1       3.248   1.595  -1.567  1.00  0.00           H  
HETATM   41  H   UNL     1       1.893   3.572   0.352  1.00  0.00           H  
HETATM   42  H   UNL     1       1.158   2.659  -1.003  1.00  0.00           H  
HETATM   43  H   UNL     1       1.112   1.785   1.652  1.00  0.00           H  
HETATM   44  H   UNL     1       1.267  -0.299  -0.410  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.814  -1.152  -1.041  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.233  -2.563   0.180  1.00  0.00           H  
CONECT    1   19    6   29   30                                       
CONECT    2    3    7    7   31                                       
CONECT    3   24   24    2   32                                       
CONECT    4   25   33   34                                            
CONECT    5   24   28   28   35                                       
CONECT    6    1   16   17                                            
CONECT    7    2    2   28   25                                       
CONECT    8    9                                                      
CONECT    9    8   11   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   15    9   12   12                                       
CONECT   12   11   11   13   36                                       
CONECT   13   14   14   12   37                                       
CONECT   14   16   13   13   38                                       
CONECT   15   16   16   11                                            
CONECT   16    6   15   15   14                                       
CONECT   17    6   18   39   40                                       
CONECT   18   19   17   41   42                                       
CONECT   19   20    1   18   43                                       
CONECT   20   21   19   44                                            
CONECT   21   22   22   20   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   45                                            
CONECT   24   23    3    3    5                                       
CONECT   25    7    4   27   27                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28    5    5    7   46                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
