COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.346   1.164   1.100  1.00  0.00           C  
HETATM    2  C   UNL     1       0.086  -0.600   0.323  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.448   0.487   0.593  1.00  0.00           C  
HETATM    4  C   UNL     1       3.913  -2.269  -0.089  1.00  0.00           C  
HETATM    5  C   UNL     1       1.438  -1.184   0.185  1.00  0.00           C  
HETATM    6  C   UNL     1       2.615  -0.304  -0.017  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.235  -0.211   0.575  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.057   0.650   1.034  1.00  0.00           C  
HETATM    9  C   UNL     1       5.081   1.167   0.326  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.025  -1.283  -0.174  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.084   0.627   0.968  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.283  -0.737  -0.043  1.00  0.00           C  
HETATM   13  C   UNL     1       2.816  -3.025   0.106  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.441  -0.033  -0.931  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.174  -0.464  -1.673  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.996   0.397  -1.214  1.00  0.00           C  
HETATM   17  C   UNL     1       5.080  -0.172  -0.419  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.790   0.219   0.291  1.00  0.00           C  
HETATM   19  C   UNL     1       2.964  -4.523   0.184  1.00  0.00           C  
HETATM   20  N   UNL     1       1.605  -2.486   0.232  1.00  0.00           N  
HETATM   21  N   UNL     1       2.390   0.983  -0.025  1.00  0.00           N  
HETATM   22  N   UNL     1       3.836  -0.898  -0.167  1.00  0.00           N  
HETATM   23  O   UNL     1       3.299   3.137   0.667  1.00  0.00           O  
HETATM   24  O   UNL     1       3.641   2.310  -1.643  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.690   1.023   0.720  1.00  0.00           O  
HETATM   26  S   UNL     1       3.605   2.086  -0.240  1.00  0.00           S  
HETATM   27  H   UNL     1      -1.478   2.115   1.594  1.00  0.00           H  
HETATM   28  H   UNL     1       4.876  -2.750  -0.181  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.026  -1.259   0.791  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.137   0.096   1.103  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.266   1.697   0.817  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.910   0.523   2.106  1.00  0.00           H  
HETATM   33  H   UNL     1       5.035   0.993   1.401  1.00  0.00           H  
HETATM   34  H   UNL     1       5.983   1.727   0.079  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.899  -2.239  -0.661  1.00  0.00           H  
HETATM   36  H   UNL     1       0.772   1.154   1.362  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.142  -1.260  -0.436  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.280  -0.646  -1.258  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.650   1.015  -1.148  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.965  -1.511  -1.457  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.321  -0.337  -2.746  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.094   0.090  -1.743  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.205   1.445  -1.431  1.00  0.00           H  
HETATM   44  H   UNL     1       5.179   0.011  -1.489  1.00  0.00           H  
HETATM   45  H   UNL     1       5.923  -0.774  -0.078  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.581  -0.829   0.508  1.00  0.00           H  
HETATM   47  H   UNL     1       3.134  -4.818   1.219  1.00  0.00           H  
HETATM   48  H   UNL     1       2.054  -4.997  -0.184  1.00  0.00           H  
HETATM   49  H   UNL     1       3.810  -4.837  -0.427  1.00  0.00           H  
CONECT    1   11    3    3   27                                       
CONECT    2   11   11    5   10                                       
CONECT    3    1    1   12   25                                       
CONECT    4   13   13   22   28                                       
CONECT    5   20   20    2    6                                       
CONECT    6    5   22   21   21                                       
CONECT    7    8   14   29   30                                       
CONECT    8    7   18   31   32                                       
CONECT    9   17   26   33   34                                       
CONECT   10    2   12   12   35                                       
CONECT   11    2    2    1   36                                       
CONECT   12   10   10    3   37                                       
CONECT   13   19   20    4    4                                       
CONECT   14    7   15   38   39                                       
CONECT   15   14   16   40   41                                       
CONECT   16   18   15   42   43                                       
CONECT   17   22    9   44   45                                       
CONECT   18    8   25   16   46                                       
CONECT   19   13   47   48   49                                       
CONECT   20   13    5    5                                            
CONECT   21    6    6   26                                            
CONECT   22    4    6   17                                            
CONECT   23   26   26                                                 
CONECT   24   26   26                                                 
CONECT   25    3   18                                                 
CONECT   26   21   24   24    9                                       
CONECT   26   23   23                                                 
CONECT   27    1                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
