COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.581  -1.204  -0.224  1.00  0.00           C  
HETATM    2  C   UNL     1       1.907  -1.863  -1.135  1.00  0.00           C  
HETATM    3  C   UNL     1       0.704  -2.775  -0.865  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.054  -1.145  -0.116  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.814  -1.036   0.088  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.817  -2.301  -0.293  1.00  0.00           C  
HETATM    7  C   UNL     1       4.532   1.624   0.384  1.00  0.00           C  
HETATM    8  C   UNL     1       5.583   2.226  -0.288  1.00  0.00           C  
HETATM    9  C   UNL     1       6.351   1.393  -0.991  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.050   1.079   0.412  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.275   4.379  -1.192  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.659   3.383  -0.096  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.169   3.445   0.143  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.287   2.029  -0.514  1.00  0.00           N  
HETATM   15  O   UNL     1      -2.144   1.345   1.593  1.00  0.00           O  
HETATM   16  N   UNL     1      -1.707  -0.166   0.027  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.437  -0.617  -0.180  1.00  0.00           C  
HETATM   18  C   UNL     1       0.853   0.157  -0.039  1.00  0.00           C  
HETATM   19  N   UNL     1       1.958  -0.816  -0.104  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.496  -1.917  -0.552  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.846  -2.293  -0.584  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.689   0.065   0.169  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.064   0.112   0.269  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.191  -2.240  -0.190  1.00  0.00           C  
HETATM   25  S   UNL     1       3.225  -0.733   0.959  1.00  0.00           S  
HETATM   26  O   UNL     1       2.745  -0.040   2.103  1.00  0.00           O  
HETATM   27  O   UNL     1       3.785  -2.037   1.019  1.00  0.00           O  
HETATM   28  C   UNL     1       4.451   0.302   0.230  1.00  0.00           C  
HETATM   29  S   UNL     1       5.748  -0.251  -0.822  1.00  0.00           S  
HETATM   30  H   UNL     1       2.824  -2.451  -1.102  1.00  0.00           H  
HETATM   31  H   UNL     1       1.804  -1.403  -2.117  1.00  0.00           H  
HETATM   32  H   UNL     1       0.499  -3.380  -1.748  1.00  0.00           H  
HETATM   33  H   UNL     1       0.921  -3.426  -0.018  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.890  -0.993   0.167  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.332  -3.241  -0.510  1.00  0.00           H  
HETATM   36  H   UNL     1       3.834   2.182   0.990  1.00  0.00           H  
HETATM   37  H   UNL     1       5.766   3.289  -0.245  1.00  0.00           H  
HETATM   38  H   UNL     1       7.212   1.684  -1.575  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.799   4.126  -2.114  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.552   5.386  -0.881  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.199   4.334  -1.362  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.135   3.636   0.825  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.694   3.193  -0.779  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.444   2.736   0.923  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.446   4.453   0.454  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.212   1.816  -1.458  1.00  0.00           H  
HETATM   47  H   UNL     1       0.945   0.877  -0.853  1.00  0.00           H  
HETATM   48  H   UNL     1       0.871   0.676   0.919  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.233  -3.267  -0.845  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.104   0.962   0.312  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.556   1.049   0.486  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.782  -3.132  -0.331  1.00  0.00           H  
CONECT    1    4   21   21   16                                       
CONECT    2    3   19   30   31                                       
CONECT    3   20    2   32   33                                       
CONECT    4    6    6   22    1                                       
CONECT    5   24   24   23   34                                       
CONECT    6   24    4    4   35                                       
CONECT    7   28   28    8   36                                       
CONECT    8    7    9    9   37                                       
CONECT    9   29    8    8   38                                       
CONECT   10   14   16   15   15                                       
CONECT   11   12   39   40   41                                       
CONECT   12   13   11   14   42                                       
CONECT   13   12   43   44   45                                       
CONECT   14   12   10   46                                            
CONECT   15   10   10                                                 
CONECT   16    1   10   17                                            
CONECT   17   16   20   20   18                                       
CONECT   18   17   19   47   48                                       
CONECT   19   18    2   25                                            
CONECT   20   21   17   17    3                                       
CONECT   21    1    1   20   49                                       
CONECT   22   23   23    4   50                                       
CONECT   23    5   22   22   51                                       
CONECT   24    5    5    6   52                                       
CONECT   25   19   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25    7    7   29                                       
CONECT   29   28    9                                                 
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
