COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.385   1.426  -0.063  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.367   0.470  -0.038  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.687  -0.889  -0.085  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.010  -1.284  -0.157  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.022  -0.329  -0.183  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.706   1.026  -0.135  1.00  0.00           C  
HETATM    7  C   UNL     1       0.045   0.895   0.039  1.00  0.00           C  
HETATM    8  N   UNL     1       1.026  -0.029   0.064  1.00  0.00           N  
HETATM    9  C   UNL     1       2.427   0.393   0.140  1.00  0.00           C  
HETATM   10  C   UNL     1       3.331  -0.841   0.154  1.00  0.00           C  
HETATM   11  C   UNL     1       4.772  -0.408   0.232  1.00  0.00           C  
HETATM   12  S   UNL     1       5.809  -0.081  -1.151  1.00  0.00           S  
HETATM   13  C   UNL     1       7.153   0.315  -0.087  1.00  0.00           C  
HETATM   14  C   UNL     1       6.770   0.187   1.184  1.00  0.00           C  
HETATM   15  C   UNL     1       5.455  -0.207   1.360  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.698   1.956  -0.155  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.302   3.328  -0.097  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.322  -0.720  -0.255  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.003  -0.937   0.982  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.322  -2.607  -0.204  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.233  -3.532  -0.174  1.00  0.00           C  
HETATM   22  O   UNL     1       0.322   2.078   0.080  1.00  0.00           O  
HETATM   23  H   UNL     1      -2.140   2.477  -0.022  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.902  -1.630  -0.066  1.00  0.00           H  
HETATM   25  H   UNL     1       0.805  -0.973   0.031  1.00  0.00           H  
HETATM   26  H   UNL     1       2.668   1.010  -0.725  1.00  0.00           H  
HETATM   27  H   UNL     1       2.584   0.969   1.052  1.00  0.00           H  
HETATM   28  H   UNL     1       3.090  -1.459   1.019  1.00  0.00           H  
HETATM   29  H   UNL     1       3.174  -1.417  -0.759  1.00  0.00           H  
HETATM   30  H   UNL     1       8.138   0.615  -0.413  1.00  0.00           H  
HETATM   31  H   UNL     1       7.434   0.380   2.013  1.00  0.00           H  
HETATM   32  H   UNL     1       5.016  -0.347   2.337  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.749   3.509   0.824  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.667   3.559  -0.953  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.187   3.963  -0.120  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.493  -1.719   1.545  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.007  -0.014   1.562  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.030  -1.245   0.782  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.620  -4.550  -0.217  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.582  -3.355  -1.030  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.666  -3.397   0.747  1.00  0.00           H  
CONECT    1    2    2    6   23                                       
CONECT    2    3    7    1    1                                       
CONECT    3    4    4    2   24                                       
CONECT    4   20    3    3    5                                       
CONECT    5    4   18    6    6                                       
CONECT    6    5    5    1   16                                       
CONECT    7    8    2   22   22                                       
CONECT    8    9    7   25                                            
CONECT    9   10    8   26   27                                       
CONECT   10   11    9   28   29                                       
CONECT   11   15   15   12   10                                       
CONECT   12   13   11                                                 
CONECT   13   14   14   12   30                                       
CONECT   14   13   13   15   31                                       
CONECT   15   14   11   11   32                                       
CONECT   16    6   17                                                 
CONECT   17   16   33   34   35                                       
CONECT   18    5   19                                                 
CONECT   19   18   36   37   38                                       
CONECT   20   21    4                                                 
CONECT   21   20   39   40   41                                       
CONECT   22    7    7                                                 
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   15                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
