COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.573   1.312  -0.546  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.857  -0.664  -1.001  1.00  0.00           N  
HETATM    3  C   UNL     1       3.063  -0.994  -1.095  1.00  0.00           C  
HETATM    4  C   UNL     1       4.898  -2.075  -0.216  1.00  0.00           C  
HETATM    5  C   UNL     1       5.280  -0.948   0.488  1.00  0.00           C  
HETATM    6  C   UNL     1       4.517   0.204   0.386  1.00  0.00           C  
HETATM    7  C   UNL     1       4.900   1.453   1.138  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.297  -0.108   2.215  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.173  -2.228   0.662  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.180  -2.977  -1.360  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.307  -0.897   0.194  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.345   1.976  -0.006  1.00  0.00           O  
HETATM   13  S   UNL     1      -2.007   1.826   0.449  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.435   2.640   1.463  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.854   0.160   1.003  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.281  -1.647  -1.759  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.627  -3.285  -0.149  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.594  -2.467   1.919  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.166  -1.418   2.673  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.039   1.990  -0.884  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.580   1.725  -2.220  1.00  0.00           C  
HETATM   22  C   UNL     1       0.359   2.400  -0.729  1.00  0.00           C  
HETATM   23  C   UNL     1       1.239   1.177  -0.685  1.00  0.00           C  
HETATM   24  O   UNL     1       0.747   0.072  -0.776  1.00  0.00           O  
HETATM   25  C   UNL     1       3.381   0.176  -0.419  1.00  0.00           C  
HETATM   26  N   UNL     1       3.819  -2.067  -0.974  1.00  0.00           N  
HETATM   27  H   UNL     1       2.973   2.195  -0.538  1.00  0.00           H  
HETATM   28  H   UNL     1       2.184  -1.027  -1.722  1.00  0.00           H  
HETATM   29  H   UNL     1       5.489  -2.976  -0.140  1.00  0.00           H  
HETATM   30  H   UNL     1       6.162  -0.965   1.110  1.00  0.00           H  
HETATM   31  H   UNL     1       5.562   2.060   0.520  1.00  0.00           H  
HETATM   32  H   UNL     1       4.002   2.023   1.378  1.00  0.00           H  
HETATM   33  H   UNL     1       5.414   1.179   2.059  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.951   0.708   2.833  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.538  -3.764  -2.006  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.720  -1.418  -2.719  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.540  -4.311   0.176  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.488  -3.478   2.285  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.720  -1.603   3.639  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.995   2.645  -2.633  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.784   1.362  -2.869  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.365   0.972  -2.151  1.00  0.00           H  
HETATM   43  H   UNL     1       0.650   3.027  -1.571  1.00  0.00           H  
HETATM   44  H   UNL     1       0.472   2.962   0.198  1.00  0.00           H  
CONECT    1   25   23   27                                            
CONECT    2   11   11   16                                            
CONECT    3   26   25   25   28                                       
CONECT    4   26   26    5   29                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5   25    7                                       
CONECT    7    6   31   32   33                                       
CONECT    8   15   15   19   34                                       
CONECT    9   11   18   17   17                                       
CONECT   10   16   16   17   35                                       
CONECT   11   15    2    2    9                                       
CONECT   12   13   13                                                 
CONECT   13   12   12   20   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13    8    8   11                                       
CONECT   16    2   10   10   36                                       
CONECT   17    9    9   10   37                                       
CONECT   18   19   19    9   38                                       
CONECT   19    8   18   18   39                                       
CONECT   20   22   13   21                                            
CONECT   21   20   40   41   42                                       
CONECT   22   23   20   43   44                                       
CONECT   23    1   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25    3    3    6    1                                       
CONECT   26    4    4    3                                            
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
