COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.348  -0.128  -0.069  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.678  -0.038  -0.137  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.282   1.127  -0.242  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.585   2.295  -0.287  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.237   2.285  -0.225  1.00  0.00           C  
HETATM    6  C   UNL     1       0.428   1.042  -0.112  1.00  0.00           C  
HETATM    7  N   UNL     1       0.259  -1.357   0.046  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.648   1.164  -0.308  1.00  0.00           N  
HETATM    9  O   UNL     1       0.395   3.328  -0.265  1.00  0.00           O  
HETATM   10  C   UNL     1       1.896   0.977  -0.040  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.556  -2.564   0.206  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.992  -3.073  -1.170  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.791  -4.294  -1.011  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.006  -5.365  -0.382  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.571  -4.924   1.017  1.00  0.00           C  
HETATM   16  C   UNL     1       0.268  -3.648   0.908  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.360   2.430  -0.548  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.451   2.580   0.519  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.251   1.396   0.544  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.535   0.213   0.906  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.448  -0.060  -0.146  1.00  0.00           C  
HETATM   22  S   UNL     1       2.959   2.372   0.071  1.00  0.00           S  
HETATM   23  C   UNL     1       4.368   1.314   0.100  1.00  0.00           C  
HETATM   24  C   UNL     1       3.927  -0.012   0.024  1.00  0.00           C  
HETATM   25  N   UNL     1       2.588  -0.116  -0.044  1.00  0.00           N  
HETATM   26  C   UNL     1       5.728   1.601   0.176  1.00  0.00           C  
HETATM   27  C   UNL     1       6.653   0.580   0.177  1.00  0.00           C  
HETATM   28  C   UNL     1       6.230  -0.739   0.101  1.00  0.00           C  
HETATM   29  C   UNL     1       4.894  -1.041   0.032  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.059   3.137  -0.366  1.00  0.00           H  
HETATM   31  H   UNL     1       1.227  -1.425   0.021  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.437  -2.332   0.804  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.591  -2.309  -1.666  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.110  -3.292  -1.772  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.634  -4.109  -0.488  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.615  -6.265  -0.306  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.124  -5.572  -0.988  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.452  -4.730   1.628  1.00  0.00           H  
HETATM   39  H   UNL     1       0.025  -5.713   1.478  1.00  0.00           H  
HETATM   40  H   UNL     1       1.169  -3.852   0.329  1.00  0.00           H  
HETATM   41  H   UNL     1       0.544  -3.307   1.906  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.662   3.263  -0.479  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.815   2.412  -1.538  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.988   2.728   1.494  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.079   3.439   0.279  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.072   0.352   1.883  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.223  -0.632   0.946  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.912  -0.324  -1.097  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.807  -0.876   0.189  1.00  0.00           H  
HETATM   50  H   UNL     1       6.059   2.627   0.235  1.00  0.00           H  
HETATM   51  H   UNL     1       7.707   0.807   0.231  1.00  0.00           H  
HETATM   52  H   UNL     1       6.959  -1.535   0.102  1.00  0.00           H  
HETATM   53  H   UNL     1       4.579  -2.073  -0.026  1.00  0.00           H  
CONECT    1    6    6    7    2                                       
CONECT    2    1    3    3                                            
CONECT    3    4    2    2    8                                       
CONECT    4    5    3   30                                            
CONECT    5    9    9    6    4                                       
CONECT    6   10    5    1    1                                       
CONECT    7    1   11   31                                            
CONECT    8    3   21   17                                            
CONECT    9    5    5                                                 
CONECT   10   22   25   25    6                                       
CONECT   11    7   16   12   32                                       
CONECT   12   11   13   33   34                                       
CONECT   13   12   14   35                                            
CONECT   14   15   13   36   37                                       
CONECT   15   16   14   38   39                                       
CONECT   16   11   15   40   41                                       
CONECT   17    8   18   42   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19   20   18                                                 
CONECT   20   21   19   46   47                                       
CONECT   21    8   20   48   49                                       
CONECT   22   23   10                                                 
CONECT   23   26   26   24   22                                       
CONECT   24   29   29   23   25                                       
CONECT   25   24   10   10                                            
CONECT   26   27   23   23   50                                       
CONECT   27   28   28   26   51                                       
CONECT   28   27   27   29   52                                       
CONECT   29   28   24   24   53                                       
CONECT   30    4                                                      
CONECT   31    7                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
