COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.028  -0.637   5.434  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.118   0.040   5.801  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.834   0.754   4.858  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.405   0.792   3.546  1.00  0.00           C  
HETATM    5  C   UNL     1       0.749   0.116   3.175  1.00  0.00           C  
HETATM    6  C   UNL     1       1.463  -0.604   4.123  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.669  -0.005   7.474  1.00  0.00           S  
HETATM    8  O   UNL     1      -0.095  -1.176   8.037  1.00  0.00           O  
HETATM    9  O   UNL     1      -2.059   0.290   7.431  1.00  0.00           O  
HETATM   10  O   UNL     1      -0.019   1.164   8.199  1.00  0.00           O  
HETATM   11  N   UNL     1       1.187   0.153   1.844  1.00  0.00           N  
HETATM   12  N   UNL     1       2.517   0.262   1.424  1.00  0.00           N  
HETATM   13  C   UNL     1       2.557   0.265   0.121  1.00  0.00           C  
HETATM   14  C   UNL     1       1.231   0.156  -0.361  1.00  0.00           C  
HETATM   15  C   UNL     1       0.397   0.082   0.751  1.00  0.00           C  
HETATM   16  C   UNL     1       2.713  -1.344   3.723  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.951  -0.030   0.739  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.404   0.022  -1.964  1.00  0.00           N  
HETATM   19  N   UNL     1       0.846   0.125  -1.664  1.00  0.00           N  
HETATM   20  C   UNL     1       3.800   0.367  -0.724  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.480  -0.312  -2.869  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.175  -0.211  -2.544  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.156  -0.126  -3.606  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.791  -0.008  -3.272  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.840  -0.189  -1.377  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.536  -0.151  -4.948  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.578  -0.072  -5.938  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.236   0.037  -5.610  1.00  0.00           C  
HETATM   29  C   UNL     1       0.160   0.069  -4.289  1.00  0.00           C  
HETATM   30  S   UNL     1       0.971   0.136  -6.889  1.00  0.00           S  
HETATM   31  O   UNL     1       2.106   0.756  -6.301  1.00  0.00           O  
HETATM   32  O   UNL     1       0.279   0.607  -8.038  1.00  0.00           O  
HETATM   33  O   UNL     1       1.401  -1.285  -7.220  1.00  0.00           O  
HETATM   34  H   UNL     1       1.585  -1.195   6.172  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.731   1.283   5.147  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.965   1.349   2.809  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.327   1.130   9.115  1.00  0.00           H  
HETATM   38  H   UNL     1       2.454  -2.358   3.420  1.00  0.00           H  
HETATM   39  H   UNL     1       3.192  -0.827   2.892  1.00  0.00           H  
HETATM   40  H   UNL     1       3.399  -1.382   4.570  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.152  -0.976   0.733  1.00  0.00           H  
HETATM   42  H   UNL     1       4.184  -0.632  -0.927  1.00  0.00           H  
HETATM   43  H   UNL     1       3.560   0.863  -1.664  1.00  0.00           H  
HETATM   44  H   UNL     1       4.556   0.945  -0.191  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.148  -0.367  -2.172  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.580  -0.236  -5.213  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.876  -0.096  -6.975  1.00  0.00           H  
HETATM   48  H   UNL     1       1.208   0.155  -4.043  1.00  0.00           H  
HETATM   49  H   UNL     1       2.063  -1.220  -7.922  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   16                                       
CONECT    7    2    8    8    9                                       
CONECT    7    9   10                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10    7   37                                                 
CONECT   11    5   12   15                                            
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   20                                       
CONECT   14   13   15   15   19                                       
CONECT   15   11   14   14   17                                       
CONECT   16    6   38   39   40                                       
CONECT   17   15   41                                                 
CONECT   18   19   19   24                                            
CONECT   19   14   18   18                                            
CONECT   20   13   42   43   44                                       
CONECT   21   22   45                                                 
CONECT   22   21   23   25   25                                       
CONECT   23   22   24   24   26                                       
CONECT   24   18   23   23   29                                       
CONECT   25   22   22                                                 
CONECT   26   23   27   27   46                                       
CONECT   27   26   26   28   47                                       
CONECT   28   27   29   29   30                                       
CONECT   29   24   28   28   48                                       
CONECT   30   28   31   31   32                                       
CONECT   30   32   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   30   49                                                 
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37   10                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   33                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
