COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.685   0.367   1.124  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.033   1.002   0.775  1.00  0.00           C  
HETATM    3  C   UNL     1       3.910   0.997  -0.120  1.00  0.00           C  
HETATM    4  C   UNL     1       3.987  -0.374   0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       5.370  -0.858   0.167  1.00  0.00           C  
HETATM    6  C   UNL     1       6.280   0.093   0.015  1.00  0.00           C  
HETATM    7  C   UNL     1       7.686  -0.493   0.102  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.835  -0.888   0.195  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.111  -1.608  -0.211  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.927  -2.143  -1.632  1.00  0.00           C  
HETATM   11  C   UNL     1       7.496  -2.008  -0.105  1.00  0.00           C  
HETATM   12  C   UNL     1       6.050  -2.211   0.377  1.00  0.00           C  
HETATM   13  N   UNL     1       2.789  -2.466   0.428  1.00  0.00           N  
HETATM   14  C   UNL     1       2.774  -1.100   0.212  1.00  0.00           C  
HETATM   15  N   UNL     1       1.626  -0.447   0.112  1.00  0.00           N  
HETATM   16  C   UNL     1       1.599   0.864  -0.094  1.00  0.00           C  
HETATM   17  S   UNL     1       0.041   1.677  -0.219  1.00  0.00           S  
HETATM   18  C   UNL     1      -1.069   0.265   0.005  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.499   0.734  -0.066  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.506  -0.151   0.074  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.897   0.305   0.005  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.225  -0.455  -0.003  1.00  0.00           N  
HETATM   23  O   UNL     1      -2.744   1.908  -0.250  1.00  0.00           O  
HETATM   24  N   UNL     1       2.704   1.578  -0.209  1.00  0.00           N  
HETATM   25  S   UNL     1       5.527   1.668  -0.236  1.00  0.00           S  
HETATM   26  H   UNL     1      -6.955   1.151   1.324  1.00  0.00           H  
HETATM   27  H   UNL     1      -7.798  -0.260   2.009  1.00  0.00           H  
HETATM   28  H   UNL     1      -8.921   1.629  -0.109  1.00  0.00           H  
HETATM   29  H   UNL     1      -9.763   0.218   0.575  1.00  0.00           H  
HETATM   30  H   UNL     1      -9.375   1.612   1.612  1.00  0.00           H  
HETATM   31  H   UNL     1       8.325  -0.080  -0.678  1.00  0.00           H  
HETATM   32  H   UNL     1       8.111  -0.295   1.086  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.589  -1.663  -0.532  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.718  -1.286   1.203  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.147  -1.300  -0.071  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.864  -2.390   0.507  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.202  -1.371  -2.350  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.884  -2.424  -1.782  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.562  -3.017  -1.777  1.00  0.00           H  
HETATM   40  H   UNL     1       7.589  -2.273  -1.159  1.00  0.00           H  
HETATM   41  H   UNL     1       8.200  -2.577   0.502  1.00  0.00           H  
HETATM   42  H   UNL     1       6.037  -2.473   1.435  1.00  0.00           H  
HETATM   43  H   UNL     1       5.558  -2.984  -0.212  1.00  0.00           H  
HETATM   44  H   UNL     1       3.635  -2.936   0.500  1.00  0.00           H  
HETATM   45  H   UNL     1       1.955  -2.954   0.507  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.887  -0.468  -0.781  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.884  -0.192   0.977  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.311  -1.089   0.221  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.082   0.762  -0.967  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.078   1.038   0.791  1.00  0.00           H  
CONECT    1   22    2   26   27                                       
CONECT    2    1   28   29   30                                       
CONECT    3   25    4    4   24                                       
CONECT    4    5    3    3   14                                       
CONECT    5    6    6   12    4                                       
CONECT    6    7   25    5    5                                       
CONECT    7   11    6   31   32                                       
CONECT    8   21   22   33   34                                       
CONECT    9   10   22   35   36                                       
CONECT   10    9   37   38   39                                       
CONECT   11    7   12   40   41                                       
CONECT   12   11    5   42   43                                       
CONECT   13   14   44   45                                            
CONECT   14    4   13   15   15                                       
CONECT   15   14   14   16                                            
CONECT   16   24   24   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   46   47                                       
CONECT   19   18   20   23   23                                       
CONECT   20   21   19   48                                            
CONECT   21    8   20   49   50                                       
CONECT   22    9    8    1                                            
CONECT   23   19   19                                                 
CONECT   24    3   16   16                                            
CONECT   25    6    3                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
