COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.043   2.454  -1.103  1.00  0.00           C  
HETATM    2  C   UNL     1       3.172   1.704  -1.480  1.00  0.00           C  
HETATM    3  C   UNL     1       0.892   1.862  -0.606  1.00  0.00           C  
HETATM    4  C   UNL     1       3.133   0.319  -1.349  1.00  0.00           C  
HETATM    5  C   UNL     1       0.865   0.474  -0.480  1.00  0.00           C  
HETATM    6  C   UNL     1       1.977  -0.292  -0.848  1.00  0.00           C  
HETATM    7  N   UNL     1       4.237   2.487  -1.960  1.00  0.00           N  
HETATM    8  C   UNL     1       3.977   3.852  -1.972  1.00  0.00           C  
HETATM    9  S   UNL     1       2.330   4.192  -1.360  1.00  0.00           S  
HETATM   10  C   UNL     1       6.649   8.446  -3.395  1.00  0.00           C  
HETATM   11  C   UNL     1       5.521   9.196  -3.017  1.00  0.00           C  
HETATM   12  C   UNL     1       7.801   9.038  -3.893  1.00  0.00           C  
HETATM   13  C   UNL     1       5.562  10.581  -3.147  1.00  0.00           C  
HETATM   14  C   UNL     1       7.828  10.425  -4.019  1.00  0.00           C  
HETATM   15  C   UNL     1       6.717  11.192  -3.648  1.00  0.00           C  
HETATM   16  N   UNL     1       4.456   8.413  -2.538  1.00  0.00           N  
HETATM   17  C   UNL     1       4.716   7.049  -2.526  1.00  0.00           C  
HETATM   18  S   UNL     1       6.363   6.708  -3.140  1.00  0.00           S  
HETATM   19  N   UNL     1       3.996   6.044  -2.162  1.00  0.00           N  
HETATM   20  N   UNL     1       4.697   4.856  -2.336  1.00  0.00           N  
HETATM   21  C   UNL     1       3.226   9.050  -2.109  1.00  0.00           C  
HETATM   22  C   UNL     1       2.266   9.181  -3.242  1.00  0.00           C  
HETATM   23  S   UNL     1       9.257  11.214  -4.643  1.00  0.00           S  
HETATM   24  C   UNL     1       5.468   1.851  -2.385  1.00  0.00           C  
HETATM   25  C   UNL     1       5.423   1.505  -3.835  1.00  0.00           C  
HETATM   26  S   UNL     1      -0.565  -0.314   0.141  1.00  0.00           S  
HETATM   27  O   UNL     1      10.180  11.529  -3.331  1.00  0.00           O  
HETATM   28  O   UNL     1      -1.701   0.564  -0.096  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.557  -1.673  -0.377  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.346  -0.386   1.759  1.00  0.00           O  
HETATM   31  O   UNL     1       9.985  10.248  -5.453  1.00  0.00           O  
HETATM   32  O   UNL     1       8.826  12.483  -5.208  1.00  0.00           O  
HETATM   33  H   UNL     1       0.034   2.464  -0.322  1.00  0.00           H  
HETATM   34  H   UNL     1       3.978  -0.302  -1.626  1.00  0.00           H  
HETATM   35  H   UNL     1       1.954  -1.374  -0.747  1.00  0.00           H  
HETATM   36  H   UNL     1       8.658   8.435  -4.178  1.00  0.00           H  
HETATM   37  H   UNL     1       4.716  11.203  -2.869  1.00  0.00           H  
HETATM   38  H   UNL     1       6.741  12.275  -3.746  1.00  0.00           H  
HETATM   39  H   UNL     1       2.795   8.440  -1.310  1.00  0.00           H  
HETATM   40  H   UNL     1       3.484  10.033  -1.704  1.00  0.00           H  
HETATM   41  H   UNL     1       2.684   9.805  -4.039  1.00  0.00           H  
HETATM   42  H   UNL     1       2.008   8.198  -3.651  1.00  0.00           H  
HETATM   43  H   UNL     1       1.341   9.655  -2.892  1.00  0.00           H  
HETATM   44  H   UNL     1       6.290   2.544  -2.182  1.00  0.00           H  
HETATM   45  H   UNL     1       5.606   0.952  -1.776  1.00  0.00           H  
HETATM   46  H   UNL     1       4.613   0.798  -4.043  1.00  0.00           H  
HETATM   47  H   UNL     1       5.284   2.404  -4.446  1.00  0.00           H  
HETATM   48  H   UNL     1       6.367   1.035  -4.134  1.00  0.00           H  
HETATM   49  H   UNL     1      10.502  10.735  -2.843  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.300   0.486   2.216  1.00  0.00           H  
CONECT    1    2    2    3    9                                       
CONECT    2    1    1    4    7                                       
CONECT    3    1    5    5   33                                       
CONECT    4    2    6    6   34                                       
CONECT    5    3    3    6   26                                       
CONECT    6    4    4    5   35                                       
CONECT    7    2    8   24                                            
CONECT    8    7    9   20   20                                       
CONECT    9    1    8                                                 
CONECT   10   11   11   12   18                                       
CONECT   11   10   10   13   16                                       
CONECT   12   10   14   14   36                                       
CONECT   13   11   15   15   37                                       
CONECT   14   12   12   15   23                                       
CONECT   15   13   13   14   38                                       
CONECT   16   11   17   21                                            
CONECT   17   16   18   19   19                                       
CONECT   18   10   17                                                 
CONECT   19   17   17   20                                            
CONECT   20    8    8   19                                            
CONECT   21   16   22   39   40                                       
CONECT   22   21   41   42   43                                       
CONECT   23   14   27   31   31                                       
CONECT   23   32   32                                                 
CONECT   24    7   25   44   45                                       
CONECT   25   24   46   47   48                                       
CONECT   26    5   28   28   29                                       
CONECT   26   29   30                                                 
CONECT   27   23   49                                                 
CONECT   28   26   26                                                 
CONECT   29   26   26                                                 
CONECT   30   26   50                                                 
CONECT   31   23   23                                                 
CONECT   32   23   23                                                 
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   22                                                      
CONECT   43   22                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   27                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
