COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.083  -0.852   0.320  1.00  0.00           C  
HETATM    2  C   UNL     1       6.440   0.555  -0.005  1.00  0.00           C  
HETATM    3  C   UNL     1       4.786  -0.947  -0.866  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.238  -2.434  -0.491  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.550  -1.901  -0.331  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.426  -0.902  -0.227  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.695   0.441  -0.050  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.086   0.920   0.042  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.342   2.243   0.072  1.00  0.00           O  
HETATM   10  C   UNL     1      -8.735   2.642   0.163  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.827   4.169   0.185  1.00  0.00           C  
HETATM   12  O   UNL     1      -8.001   0.123   0.090  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.613   1.351   0.044  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.381   0.917  -0.038  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.113  -0.386  -0.205  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.919  -1.089  -0.326  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.623  -0.539  -0.287  1.00  0.00           N  
HETATM   18  C   UNL     1       0.417  -1.293   0.122  1.00  0.00           C  
HETATM   19  N   UNL     1       1.671  -0.805   0.054  1.00  0.00           N  
HETATM   20  C   UNL     1       2.801  -1.624   0.499  1.00  0.00           C  
HETATM   21  C   UNL     1       4.557  -0.053   1.343  1.00  0.00           C  
HETATM   22  C   UNL     1       5.736   0.651   1.180  1.00  0.00           C  
HETATM   23  S   UNL     1       7.943   1.452  -0.213  1.00  0.00           S  
HETATM   24  O   UNL     1       7.885   2.546   0.693  1.00  0.00           O  
HETATM   25  N   UNL     1       9.173   0.475   0.311  1.00  0.00           N  
HETATM   26  O   UNL     1       8.125   1.611  -1.613  1.00  0.00           O  
HETATM   27  C   UNL     1       5.965  -0.243  -1.029  1.00  0.00           C  
HETATM   28  S   UNL     1       0.144  -2.870   0.729  1.00  0.00           S  
HETATM   29  N   UNL     1      -3.545  -2.568  -0.481  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.129  -1.309  -0.307  1.00  0.00           N  
HETATM   31  H   UNL     1       4.416  -1.572  -1.666  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.526  -3.237  -0.614  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.867  -2.196   0.670  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.390  -1.450  -0.859  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.207  -2.779  -0.877  1.00  0.00           H  
HETATM   36  H   UNL     1      -9.280   2.258  -0.700  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.170   2.239   1.077  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.282   4.554   1.047  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.392   4.573  -0.729  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.873   4.469   0.253  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.805   2.405   0.183  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.479   0.381  -0.556  1.00  0.00           H  
HETATM   43  H   UNL     1       1.826   0.089  -0.290  1.00  0.00           H  
HETATM   44  H   UNL     1       2.842  -2.539  -0.092  1.00  0.00           H  
HETATM   45  H   UNL     1       2.674  -1.877   1.552  1.00  0.00           H  
HETATM   46  H   UNL     1       4.007   0.022   2.269  1.00  0.00           H  
HETATM   47  H   UNL     1       6.107   1.275   1.980  1.00  0.00           H  
HETATM   48  H   UNL     1      10.055   0.553  -0.084  1.00  0.00           H  
HETATM   49  H   UNL     1       9.011  -0.175   1.013  1.00  0.00           H  
HETATM   50  H   UNL     1       6.515  -0.318  -1.955  1.00  0.00           H  
CONECT    1   20   21   21    3                                       
CONECT    2   22   22   27   23                                       
CONECT    3    1   27   27   31                                       
CONECT    4   29   29   16   32                                       
CONECT    5    6   33   34   35                                       
CONECT    6    5   30    7    7                                       
CONECT    7    6    6    8   13                                       
CONECT    8   12   12    7    9                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   36   37                                       
CONECT   11   10   38   39   40                                       
CONECT   12    8    8                                                 
CONECT   13    7   14   14   41                                       
CONECT   14   15   13   13                                            
CONECT   15   30   16   16   14                                       
CONECT   16    4   15   15   17                                       
CONECT   17   16   18   42                                            
CONECT   18   17   19   28   28                                       
CONECT   19   18   20   43                                            
CONECT   20   19    1   44   45                                       
CONECT   21    1    1   22   46                                       
CONECT   22   21    2    2   47                                       
CONECT   23   25    2   24   24                                       
CONECT   23   26   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   48   49                                            
CONECT   26   23   23                                                 
CONECT   27    3    3    2   50                                       
CONECT   28   18   18                                                 
CONECT   29   30    4    4                                            
CONECT   30   29    6   15                                            
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
