COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.695   1.347  -1.553  1.00  0.00           C  
HETATM    2  O   UNL     1       9.252   0.271  -1.645  1.00  0.00           O  
HETATM    3  C   UNL     1       7.391   1.422  -1.026  1.00  0.00           C  
HETATM    4  S   UNL     1       6.446   0.051  -0.463  1.00  0.00           S  
HETATM    5  C   UNL     1       6.667   2.578  -0.868  1.00  0.00           C  
HETATM    6  C   UNL     1       5.424   2.402  -0.336  1.00  0.00           C  
HETATM    7  C   UNL     1       5.102   1.104  -0.044  1.00  0.00           C  
HETATM    8  C   UNL     1       3.822   0.657   0.537  1.00  0.00           C  
HETATM    9  C   UNL     1       2.974  -0.151  -0.171  1.00  0.00           C  
HETATM   10  C   UNL     1       3.427   1.062   1.895  1.00  0.00           C  
HETATM   11  O   UNL     1       4.149   1.777   2.565  1.00  0.00           O  
HETATM   12  N   UNL     1       2.246   0.626   2.381  1.00  0.00           N  
HETATM   13  C   UNL     1       1.453  -0.162   1.634  1.00  0.00           C  
HETATM   14  O   UNL     1       0.395  -0.542   2.096  1.00  0.00           O  
HETATM   15  N   UNL     1       1.799  -0.547   0.395  1.00  0.00           N  
HETATM   16  C   UNL     1       0.893  -1.412  -0.366  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.452  -0.890  -0.336  1.00  0.00           O  
HETATM   18  C   UNL     1       0.759  -2.796   0.317  1.00  0.00           C  
HETATM   19  O   UNL     1       1.801  -3.678  -0.108  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.619  -3.279  -0.197  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.457  -4.160  -1.310  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.334  -1.986  -0.632  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.641  -1.827   0.147  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.345  -0.679  -0.333  1.00  0.00           O  
HETATM   25  P   UNL     1      -4.766  -0.210   0.262  1.00  0.00           P  
HETATM   26  O   UNL     1      -5.727  -1.332   0.187  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.582   0.239   1.797  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.323   1.033  -0.598  1.00  0.00           O  
HETATM   29  P   UNL     1      -6.760   1.746  -0.729  1.00  0.00           P  
HETATM   30  O   UNL     1      -6.979   2.745   0.514  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.821   2.580  -2.105  1.00  0.00           O  
HETATM   32  O   UNL     1      -7.824   0.717  -0.728  1.00  0.00           O  
HETATM   33  H   UNL     1       9.201   2.247  -1.870  1.00  0.00           H  
HETATM   34  H   UNL     1       7.051   3.549  -1.145  1.00  0.00           H  
HETATM   35  H   UNL     1       4.746   3.224  -0.157  1.00  0.00           H  
HETATM   36  H   UNL     1       3.234  -0.471  -1.169  1.00  0.00           H  
HETATM   37  H   UNL     1       1.967   0.883   3.274  1.00  0.00           H  
HETATM   38  H   UNL     1       1.242  -1.522  -1.392  1.00  0.00           H  
HETATM   39  H   UNL     1       0.756  -2.696   1.403  1.00  0.00           H  
HETATM   40  H   UNL     1       1.759  -4.557   0.292  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.172  -3.773   0.602  1.00  0.00           H  
HETATM   42  H   UNL     1       0.039  -4.965  -1.106  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.539  -2.018  -1.702  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.257  -2.715   0.008  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.420  -1.700   1.207  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.964   0.972   1.922  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.317   3.447   0.576  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.661   3.037  -2.251  1.00  0.00           H  
CONECT    1    3    2    2   33                                       
CONECT    2    1    1                                                 
CONECT    3    5    5    1    4                                       
CONECT    4    3    7                                                 
CONECT    5    6    3    3   34                                       
CONECT    6    5    7    7   35                                       
CONECT    7    6    6    8    4                                       
CONECT    8    9    9    7   10                                       
CONECT    9   15    8    8   36                                       
CONECT   10    8   12   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10   37                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16    9   13                                            
CONECT   16   17   15   18   38                                       
CONECT   17   22   16                                                 
CONECT   18   16   20   19   39                                       
CONECT   19   18   40                                                 
CONECT   20   22   21   18   41                                       
CONECT   21   20   42                                                 
CONECT   22   23   17   20   43                                       
CONECT   23   24   22   44   45                                       
CONECT   24   23   25                                                 
CONECT   25   28   24   26   26                                       
CONECT   25   27                                                      
CONECT   26   25   25                                                 
CONECT   27   25   46                                                 
CONECT   28   29   25                                                 
CONECT   29   32   32   30   28                                       
CONECT   29   31                                                      
CONECT   30   29   47                                                 
CONECT   31   29   48                                                 
CONECT   32   29   29                                                 
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   16                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
CONECT   47   30                                                      
CONECT   48   31                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
