COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.263  -0.986  -0.066  1.00  0.00           C  
HETATM    2  C   UNL     1       1.642  -1.949   0.868  1.00  0.00           C  
HETATM    3  C   UNL     1       2.841  -1.812   1.549  1.00  0.00           C  
HETATM    4  C   UNL     1       3.655  -0.724   1.299  1.00  0.00           C  
HETATM    5  C   UNL     1       3.277   0.232   0.372  1.00  0.00           C  
HETATM    6  C   UNL     1       2.084   0.103  -0.312  1.00  0.00           C  
HETATM    7  N   UNL     1       0.032  -1.393  -0.581  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.299  -2.549   0.027  1.00  0.00           C  
HETATM    9  O   UNL     1       0.662  -2.886   0.901  1.00  0.00           O  
HETATM   10  S   UNL     1       4.322   1.617   0.062  1.00  0.00           S  
HETATM   11  O   UNL     1       3.486   2.642  -0.456  1.00  0.00           O  
HETATM   12  O   UNL     1       5.125   1.781   1.223  1.00  0.00           O  
HETATM   13  N   UNL     1       5.352   1.189  -1.162  1.00  0.00           N  
HETATM   14  O   UNL     1      -1.313  -3.187  -0.182  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.757  -0.692  -1.597  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.003  -0.128  -0.965  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.145  -1.671  -2.707  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.601   0.997  -1.500  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.745   1.514  -0.919  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.290   0.905   0.195  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.693  -0.221   0.729  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.552  -0.740   0.147  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.514   1.459   0.817  1.00  0.00           N1+
HETATM   24  O   UNL     1      -6.041   2.451   0.346  1.00  0.00           O1-
HETATM   25  O   UNL     1      -5.995   0.922   1.799  1.00  0.00           O  
HETATM   26  H   UNL     1       3.140  -2.555   2.274  1.00  0.00           H  
HETATM   27  H   UNL     1       1.791   0.849  -1.036  1.00  0.00           H  
HETATM   28  H   UNL     1       5.294   0.306  -1.559  1.00  0.00           H  
HETATM   29  H   UNL     1       6.014   1.822  -1.483  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.165   0.120  -2.020  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.244  -2.078  -3.164  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.737  -2.483  -2.284  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.732  -1.149  -3.463  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.175   1.473  -2.370  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.212   2.394  -1.337  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.118  -0.697   1.601  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.087  -1.622   0.562  1.00  0.00           H  
HETATM   38  H   UNL     1       4.589  -0.618   1.830  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    4   26                                       
CONECT    4    3    3    5   38                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   27                                       
CONECT    7    1    8   15                                            
CONECT    8    7    9   14   14                                       
CONECT    9    2    8                                                 
CONECT   10    5   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13   10   28   29                                            
CONECT   14    8    8                                                 
CONECT   15    7   16   17   30                                       
CONECT   16   15   18   18   22                                       
CONECT   17   15   31   32   33                                       
CONECT   18   16   16   19   34                                       
CONECT   19   18   20   20   35                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   36                                       
CONECT   22   16   21   21   37                                       
CONECT   23   20   24   25   25                                       
CONECT   24   23                                                      
CONECT   25   23   23                                                 
CONECT   26    3                                                      
CONECT   27    6                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   15                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38    4                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
