COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.264   0.136   0.212  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.795  -3.345  -0.932  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.525  -1.297  -1.372  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.903   0.769   1.367  1.00  0.00           S  
HETATM    5  C   UNL     1       3.929  -1.234   0.366  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.942   0.054   0.225  1.00  0.00           N  
HETATM    7  O   UNL     1      -1.965  -0.134   2.462  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.762  -2.010  -0.754  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.450   2.110   1.491  1.00  0.00           O  
HETATM   10  C   UNL     1       6.004   2.015  -1.482  1.00  0.00           C  
HETATM   11  O   UNL     1       3.246  -1.986   1.371  1.00  0.00           O  
HETATM   12  C   UNL     1       5.344   1.162  -0.397  1.00  0.00           C  
HETATM   13  O   UNL     1       6.040  -2.310   0.854  1.00  0.00           O  
HETATM   14  C   UNL     1       6.093  -0.167  -0.267  1.00  0.00           C  
HETATM   15  O   UNL     1       7.439   0.082   0.145  1.00  0.00           O  
HETATM   16  C   UNL     1       5.391  -1.039   0.779  1.00  0.00           C  
HETATM   17  O   UNL     1      -7.345   1.055  -0.861  1.00  0.00           O  
HETATM   18  C   UNL     1       1.166   1.179  -0.296  1.00  0.00           C  
HETATM   19  O   UNL     1       3.984   0.908  -0.752  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.255   0.877  -0.774  1.00  0.00           C  
HETATM   21  O   UNL     1       5.379   3.300  -1.524  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.779  -1.402   0.212  1.00  0.00           C  
HETATM   23  O   UNL     1       1.915  -0.036  -0.227  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.199   2.033  -0.551  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.719  -3.917  -1.840  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.532   0.854   0.700  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.417  -0.188   0.904  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.923   1.964  -0.027  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.694  -0.123   0.383  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.089   0.989  -0.347  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.208  -0.057  -0.612  1.00  0.00           C  
HETATM   32  H   UNL     1       3.271   0.654   1.171  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.185  -3.915  -0.438  1.00  0.00           H  
HETATM   34  H   UNL     1       3.885  -1.769  -0.582  1.00  0.00           H  
HETATM   35  H   UNL     1       7.064   2.134  -1.257  1.00  0.00           H  
HETATM   36  H   UNL     1       5.891   1.525  -2.449  1.00  0.00           H  
HETATM   37  H   UNL     1       2.312  -2.144   1.177  1.00  0.00           H  
HETATM   38  H   UNL     1       5.379   1.693   0.554  1.00  0.00           H  
HETATM   39  H   UNL     1       5.643  -2.918   1.493  1.00  0.00           H  
HETATM   40  H   UNL     1       6.095  -0.680  -1.229  1.00  0.00           H  
HETATM   41  H   UNL     1       7.973  -0.718   0.247  1.00  0.00           H  
HETATM   42  H   UNL     1       5.434  -0.550   1.752  1.00  0.00           H  
HETATM   43  H   UNL     1       1.647   1.863  -0.995  1.00  0.00           H  
HETATM   44  H   UNL     1       1.127   1.638   0.692  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.213   0.338  -1.721  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.799   1.811  -0.911  1.00  0.00           H  
HETATM   47  H   UNL     1       5.747   3.895  -2.191  1.00  0.00           H  
HETATM   48  H   UNL     1       0.236  -1.651  -0.098  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.960  -1.796   1.212  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.505   2.902  -1.115  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.667  -4.880  -1.900  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.109  -1.054   1.472  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.230   2.777  -0.185  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.385  -0.938   0.542  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.766  -0.961  -1.033  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.337  -0.183   0.463  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.177   0.123  -1.076  1.00  0.00           H  
CONECT    1    5   19   23   32                                       
CONECT    2    8   25   33                                            
CONECT    3    8    8                                                 
CONECT    4    6    7    7    9                                       
CONECT    4    9   26                                                 
CONECT    5    1   11   16   34                                       
CONECT    6    4   20   22                                            
CONECT    7    4    4                                                 
CONECT    8    2    3    3   22                                       
CONECT    9    4    4                                                 
CONECT   10   12   21   35   36                                       
CONECT   11    5   37                                                 
CONECT   12   10   14   19   38                                       
CONECT   13   16   39                                                 
CONECT   14   12   15   16   40                                       
CONECT   15   14   41                                                 
CONECT   16    5   13   14   42                                       
CONECT   17   30   31                                                 
CONECT   18   20   23   43   44                                       
CONECT   19    1   12                                                 
CONECT   20    6   18   45   46                                       
CONECT   21   10   47                                                 
CONECT   22    6    8   48   49                                       
CONECT   23    1   18                                                 
CONECT   24   28   28   30   50                                       
CONECT   25    2   51                                                 
CONECT   26    4   27   27   28                                       
CONECT   27   26   26   29   52                                       
CONECT   28   24   24   26   53                                       
CONECT   29   27   30   30   54                                       
CONECT   30   17   24   29   29                                       
CONECT   31   17   55   56   57                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
