COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       7.709  -2.917   0.657  1.00  0.00           C  
HETATM    2  C   UNK     1       9.086  -3.040   0.476  1.00  0.00           C  
HETATM    3  C   UNK     1       9.922  -1.950   0.722  1.00  0.00           C  
HETATM    4  C   UNK     1       9.379  -0.737   1.148  1.00  0.00           C  
HETATM    5  C   UNK     1       8.002  -0.615   1.329  1.00  0.00           C  
HETATM    6  C   UNK     1       7.160  -1.704   1.085  1.00  0.00           C  
HETATM    7  N   UNK     1       5.773  -1.581   1.267  1.00  0.00           N  
HETATM    8  C   UNK     1       4.955  -0.501   1.683  1.00  0.00           C  
HETATM    9  C   UNK     1       3.649  -0.412   1.209  1.00  0.00           C  
HETATM   10  C   UNK     1       3.091  -1.352   0.326  1.00  0.00           C  
HETATM   11  N   UNK     1       5.511   0.387   2.528  1.00  0.00           N  
HETATM   12  C   UNK     1       4.700   1.393   2.895  1.00  0.00           C  
HETATM   13  N   UNK     1       3.423   1.591   2.510  1.00  0.00           N  
HETATM   14  C   UNK     1       2.900   0.685   1.665  1.00  0.00           C  
HETATM   15  C   UNK     1       1.588   0.808   1.213  1.00  0.00           C  
HETATM   16  C   UNK     1       1.026  -0.123   0.335  1.00  0.00           C  
HETATM   17  C   UNK     1       1.778  -1.205  -0.109  1.00  0.00           C  
HETATM   18  N   UNK     1       1.219  -2.135  -0.985  1.00  0.00           N  
HETATM   19  C   UNK     1      -0.077  -2.148  -1.528  1.00  0.00           C  
HETATM   20  O   UNK     1      -0.966  -1.328  -1.324  1.00  0.00           O  
HETATM   21  C   UNK     1      -0.278  -3.349  -2.444  1.00  0.00           C  
HETATM   22  C   UNK     1      -1.677  -3.385  -3.047  1.00  0.00           C  
HETATM   23  S   UNK     1      -1.867  -4.821  -4.140  1.00  0.00           S  
HETATM   24  C   UNK     1      -3.579  -4.542  -4.647  1.00  0.00           C  
HETATM   25  C   UNK     1      -4.103  -5.575  -5.648  1.00  0.00           C  
HETATM   26  C   UNK     1      -3.288  -5.602  -6.931  1.00  0.00           C  
HETATM   27  O   UNK     1      -2.710  -6.597  -7.349  1.00  0.00           O  
HETATM   28  N   UNK     1      -4.221  -6.885  -5.058  1.00  0.00           N  
HETATM   29  O   UNK     1      -3.250  -4.406  -7.566  1.00  0.00           O  
HETATM   30  H   UNK     1       7.067  -3.773   0.463  1.00  0.00           H  
HETATM   31  H   UNK     1       9.508  -3.984   0.144  1.00  0.00           H  
HETATM   32  H   UNK     1      10.994  -2.045   0.580  1.00  0.00           H  
HETATM   33  H   UNK     1      10.029   0.111   1.339  1.00  0.00           H  
HETATM   34  H   UNK     1       7.589   0.334   1.662  1.00  0.00           H  
HETATM   35  H   UNK     1       5.250  -2.425   1.064  1.00  0.00           H  
HETATM   36  H   UNK     1       3.669  -2.203  -0.029  1.00  0.00           H  
HETATM   37  H   UNK     1       5.116   2.125   3.576  1.00  0.00           H  
HETATM   38  H   UNK     1       0.978   1.646   1.546  1.00  0.00           H  
HETATM   39  H   UNK     1      -0.002   0.010   0.006  1.00  0.00           H  
HETATM   40  H   UNK     1       1.827  -2.910  -1.275  1.00  0.00           H  
HETATM   41  H   UNK     1      -0.091  -4.254  -1.854  1.00  0.00           H  
HETATM   42  H   UNK     1       0.478  -3.296  -3.238  1.00  0.00           H  
HETATM   43  H   UNK     1      -2.437  -3.443  -2.260  1.00  0.00           H  
HETATM   44  H   UNK     1      -1.871  -2.478  -3.629  1.00  0.00           H  
HETATM   45  H   UNK     1      -4.194  -4.557  -3.741  1.00  0.00           H  
HETATM   46  H   UNK     1      -3.639  -3.534  -5.072  1.00  0.00           H  
HETATM   47  H   UNK     1      -5.122  -5.298  -5.941  1.00  0.00           H  
HETATM   48  H   UNK     1      -4.524  -6.964  -4.102  1.00  0.00           H  
HETATM   49  H   UNK     1      -3.812  -7.672  -5.532  1.00  0.00           H  
HETATM   50  H   UNK     1      -2.711  -4.443  -8.385  1.00  0.00           H  
CONECT    1    2    2    6   30                                       
CONECT    2    1    1    3   31                                       
CONECT    3    2    4    4   32                                       
CONECT    4    3    3    5   33                                       
CONECT    5    4    6    6   34                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8   35                                            
CONECT    8    7    9   11   11                                       
CONECT    9    8   10   14   14                                       
CONECT   10    9   17   17   36                                       
CONECT   11    8    8   12                                            
CONECT   12   11   13   13   37                                       
CONECT   13   12   12   14                                            
CONECT   14    9    9   13   15                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   10   10   16   18                                       
CONECT   18   17   19   40                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   41   42                                       
CONECT   22   21   23   43   44                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   45   46                                       
CONECT   25   24   26   28   47                                       
CONECT   26   25   27   27   29                                       
CONECT   27   26   26                                                 
CONECT   28   25   48   49                                            
CONECT   29   26   50                                                 
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   12                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
