COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.670   0.023   0.638  1.00  0.00           N  
HETATM    2  C   UNL     1       1.561  -0.508   0.085  1.00  0.00           C  
HETATM    3  C   UNL     1       3.926  -0.520   0.344  1.00  0.00           C  
HETATM    4  C   UNL     1       4.067  -1.884   0.100  1.00  0.00           C  
HETATM    5  C   UNL     1       5.331  -2.374  -0.187  1.00  0.00           C  
HETATM    6  C   UNL     1       6.402  -1.500  -0.221  1.00  0.00           C  
HETATM    7  C   UNL     1       0.099   1.470   0.170  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.076   4.167  -0.413  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.140   2.382   1.181  1.00  0.00           C  
HETATM   10  S   UNL     1      -4.850  -1.096   0.047  1.00  0.00           S  
HETATM   11  N   UNL     1      -3.293  -1.068  -0.518  1.00  0.00           N  
HETATM   12  N   UNL     1       6.235  -0.213   0.015  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.260  -0.336   0.219  1.00  0.00           C  
HETATM   14  C   UNL     1       0.252   1.907  -1.133  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.723  -1.492   1.405  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.878  -0.764  -0.280  1.00  0.00           C  
HETATM   17  C   UNL     1       5.049   0.295   0.286  1.00  0.00           C  
HETATM   18  C   UNL     1       0.164   3.255  -1.424  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.228   3.730   0.889  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.402   0.629  -0.064  1.00  0.00           C  
HETATM   21  O   UNL     1      -5.548  -1.904  -0.891  1.00  0.00           O  
HETATM   22  O   UNL     1       1.658  -1.395  -0.737  1.00  0.00           O  
HETATM   23  C   UNL     1       0.201   0.001   0.489  1.00  0.00           C  
HETATM   24  H   UNL     1       2.598   0.783   1.236  1.00  0.00           H  
HETATM   25  H   UNL     1       3.213  -2.543   0.133  1.00  0.00           H  
HETATM   26  H   UNL     1       5.477  -3.426  -0.382  1.00  0.00           H  
HETATM   27  H   UNL     1       7.389  -1.877  -0.444  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.145   5.220  -0.641  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.260   2.041   2.199  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.066  -1.537  -1.336  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.389   0.734   0.058  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.346  -0.557   1.282  1.00  0.00           H  
HETATM   33  H   UNL     1       0.439   1.195  -1.923  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.749  -1.834  -0.120  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.792  -0.543  -1.344  1.00  0.00           H  
HETATM   36  H   UNL     1       4.952   1.354   0.474  1.00  0.00           H  
HETATM   37  H   UNL     1       0.283   3.597  -2.442  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.415   4.443   1.679  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.351   0.961  -1.101  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.430   0.705   0.292  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.757   1.257   0.550  1.00  0.00           H  
HETATM   42  H   UNL     1       0.060  -0.149   1.559  1.00  0.00           H  
CONECT    1    3    2   24                                            
CONECT    2    1   23   22   22                                       
CONECT    3   17   17    4    1                                       
CONECT    4    5    5    3   25                                       
CONECT    5    6    4    4   26                                       
CONECT    6   12   12    5   27                                       
CONECT    7   14   23    9    9                                       
CONECT    8   18   19   19   28                                       
CONECT    9    7    7   19   29                                       
CONECT   10   15   15   11   21                                       
CONECT   10   21   20                                                 
CONECT   11   10   13   30                                            
CONECT   12    6    6   17                                            
CONECT   13   11   16   31   32                                       
CONECT   14   18   18    7   33                                       
CONECT   15   10   10                                                 
CONECT   16   23   13   34   35                                       
CONECT   17   12    3    3   36                                       
CONECT   18   14   14    8   37                                       
CONECT   19    8    8    9   38                                       
CONECT   20   10   39   40   41                                       
CONECT   21   10   10                                                 
CONECT   22    2    2                                                 
CONECT   23    2    7   16   42                                       
CONECT   24    1                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
