COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -3.158  -1.253   0.358  1.00  0.00           S  
HETATM    2  C   UNL     1      -8.377  -1.551   0.294  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.484   1.285  -0.123  1.00  0.00           N  
HETATM    4  O4* UNL     1       3.733   0.228   0.784  1.00  0.00           O  
HETATM    5  C   UNL     1      -7.207  -0.578   0.131  1.00  0.00           C  
HETATM    6  N   UNL     1      -0.719  -0.186   0.207  1.00  0.00           N  
HETATM    7  O5* UNL     1       6.573   0.491   1.350  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.888  -1.333   0.310  1.00  0.00           C  
HETATM    9  N   UNL     1       1.543   0.854   0.057  1.00  0.00           N  
HETATM   10  O3* UNL     1       4.031  -2.980  -0.343  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.718  -0.361   0.146  1.00  0.00           C  
HETATM   12  N   UNL     1       0.821   2.873  -0.357  1.00  0.00           N  
HETATM   13  O2* UNL     1       1.867  -1.962  -1.365  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.015   0.068   0.126  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.162   3.577  -0.565  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.663   2.313  -0.306  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.278   2.089  -0.229  1.00  0.00           C  
HETATM   18  C   UNL     1       0.173   0.785   0.037  1.00  0.00           C  
HETATM   19  C   UNL     1       1.890   2.151  -0.189  1.00  0.00           C  
HETATM   20  C1* UNL     1       2.464  -0.259   0.298  1.00  0.00           C  
HETATM   21  C2* UNL     1       2.832  -0.962  -1.033  1.00  0.00           C  
HETATM   22  C3* UNL     1       4.199  -1.604  -0.694  1.00  0.00           C  
HETATM   23  C4* UNL     1       4.706  -0.797   0.517  1.00  0.00           C  
HETATM   24  C5* UNL     1       6.056  -0.158   0.187  1.00  0.00           C  
HETATM   25  H   UNL     1      -8.303  -2.337  -0.458  1.00  0.00           H  
HETATM   26  H   UNL     1      -8.344  -1.995   1.289  1.00  0.00           H  
HETATM   27  H   UNL     1      -9.317  -1.013   0.166  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.239  -0.134  -0.864  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.280   0.208   0.882  1.00  0.00           H  
HETATM   30  H5* UNL     1       7.430   0.919   1.214  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.856  -1.777   1.304  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.814  -2.119  -0.442  1.00  0.00           H  
HETATM   33  H3* UNL     1       4.857  -3.432  -0.120  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.792   0.426   0.898  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.751   0.083  -0.849  1.00  0.00           H  
HETATM   36  H2* UNL     1       2.053  -2.430  -2.191  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.120   3.720  -0.615  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.553   4.321  -0.696  1.00  0.00           H  
HETATM   39  H   UNL     1       2.903   2.523  -0.237  1.00  0.00           H  
HETATM   40  H1* UNL     1       2.030  -0.969   1.003  1.00  0.00           H  
HETATM   41  H2* UNL     1       2.932  -0.237  -1.841  1.00  0.00           H  
HETATM   42  H3* UNL     1       4.885  -1.507  -1.535  1.00  0.00           H  
HETATM   43  H4* UNL     1       4.804  -1.450   1.383  1.00  0.00           H  
HETATM   44 H5*1 UNL     1       5.927   0.574  -0.610  1.00  0.00           H  
HETATM   45 H5*2 UNL     1       6.754  -0.930  -0.138  1.00  0.00           H  
CONECT    1   11   14                                                 
CONECT    2    5   25   26   27                                       
CONECT    3   14   14   16                                            
CONECT    4   20   23                                                 
CONECT    5    2    8   28   29                                       
CONECT    6   14   18   18                                            
CONECT    7   24   30                                                 
CONECT    8    5   11   31   32                                       
CONECT    9   18   19   20                                            
CONECT   10   22   33                                                 
CONECT   11    1    8   34   35                                       
CONECT   12   17   19   19                                            
CONECT   13   21   36                                                 
CONECT   14    1    3    3    6                                       
CONECT   15   16   37   38                                            
CONECT   16    3   15   17   17                                       
CONECT   17   12   16   16   18                                       
CONECT   18    6    6    9   17                                       
CONECT   19    9   12   12   39                                       
CONECT   20    4    9   21   40                                       
CONECT   21   13   20   22   41                                       
CONECT   22   10   21   23   42                                       
CONECT   23    4   22   24   43                                       
CONECT   24    7   23   44   45                                       
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
