COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.083   0.847   0.956  1.00  0.00           C  
HETATM    2  N   UNL     1       3.992  -0.588   0.646  1.00  0.00           N  
HETATM    3  C   UNL     1       2.742  -1.288   0.980  1.00  0.00           C  
HETATM    4  C   UNL     1       1.588  -0.399   0.549  1.00  0.00           C  
HETATM    5  C   UNL     1       1.725   0.876   0.169  1.00  0.00           C  
HETATM    6  C   UNL     1       3.060   1.601   0.104  1.00  0.00           C  
HETATM    7  C   UNL     1       5.023  -1.242   0.074  1.00  0.00           C  
HETATM    8  O   UNL     1       6.011  -0.628  -0.280  1.00  0.00           O  
HETATM    9  N   UNL     1       4.958  -2.576  -0.105  1.00  0.00           N  
HETATM   10  C   UNL     1       6.062  -3.266  -0.600  1.00  0.00           C  
HETATM   11  C   UNL     1       5.999  -4.572  -0.775  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.094  -0.897   0.483  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.609   0.633  -0.057  1.00  0.00           C  
HETATM   14  C   UNL     1       0.454   1.485  -0.183  1.00  0.00           C  
HETATM   15  C   UNL     1       0.323   2.874  -0.628  1.00  0.00           C  
HETATM   16  O   UNL     1       0.120   3.855   0.275  1.00  0.00           O  
HETATM   17  C   UNL     1       0.005   5.128  -0.182  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.194   6.116   0.666  1.00  0.00           C  
HETATM   19  O   UNL     1       0.398   3.143  -1.812  1.00  0.00           O  
HETATM   20  N   UNL     1      -1.925   0.970  -0.333  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.902   0.054  -0.176  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.333   0.420  -0.476  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.219  -0.772  -0.222  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.774  -0.967   1.029  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.483  -1.667  -1.242  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.296  -2.760  -1.010  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.846  -2.959   0.243  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.587  -2.061   1.261  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.629  -1.064   0.205  1.00  0.00           O  
HETATM   30  H   UNL     1       3.867   1.006   2.013  1.00  0.00           H  
HETATM   31  H   UNL     1       5.085   1.209   0.729  1.00  0.00           H  
HETATM   32  H   UNL     1       2.696  -2.237   0.447  1.00  0.00           H  
HETATM   33  H   UNL     1       2.692  -1.464   2.054  1.00  0.00           H  
HETATM   34  H   UNL     1       2.942   2.615   0.487  1.00  0.00           H  
HETATM   35  H   UNL     1       3.404   1.639  -0.930  1.00  0.00           H  
HETATM   36  H   UNL     1       4.143  -3.056   0.110  1.00  0.00           H  
HETATM   37  H   UNL     1       6.970  -2.733  -0.840  1.00  0.00           H  
HETATM   38  H   UNL     1       6.855  -5.108  -1.159  1.00  0.00           H  
HETATM   39  H   UNL     1       5.091  -5.106  -0.535  1.00  0.00           H  
HETATM   40  H   UNL     1       0.077   5.330  -1.240  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.265   5.914   1.724  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.285   7.129   0.302  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.144   1.864  -0.638  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.639   1.244   0.168  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.420   0.722  -1.520  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.571  -0.266   1.825  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.054  -1.512  -2.221  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.503  -3.459  -1.807  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.482  -3.813   0.424  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.020  -2.213   2.239  1.00  0.00           H  
CONECT    1    2    6   30   31                                       
CONECT    2    1    7    3                                            
CONECT    3    2    4   32   33                                       
CONECT    4    3   12    5    5                                       
CONECT    5    4    4    6   14                                       
CONECT    6    1    5   34   35                                       
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   36                                            
CONECT   10    9   11   11   37                                       
CONECT   11   10   10   38   39                                       
CONECT   12    4   13                                                 
CONECT   13   12   14   14   20                                       
CONECT   14    5   13   13   15                                       
CONECT   15   14   16   19   19                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   41   42                                       
CONECT   19   15   15                                                 
CONECT   20   13   21   43                                            
CONECT   21   20   29   29   22                                       
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23   28   46                                       
CONECT   25   23   26   26   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   28   49                                       
CONECT   28   24   27   27   50                                       
CONECT   29   21   21                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
