COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.233   2.040  -0.064  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.622   0.687   0.020  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.662  -0.267   0.153  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.261  -2.548   1.027  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.954  -3.766   0.149  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.854  -3.308  -1.287  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.239  -2.071  -0.468  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.897   1.313   0.132  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.798   2.347  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1       0.572   3.103   0.079  1.00  0.00           C  
HETATM   11  C   UNL     1       0.427   1.775   0.174  1.00  0.00           C  
HETATM   12  C   UNL     1       1.585   0.857   0.315  1.00  0.00           C  
HETATM   13  C   UNL     1       1.592  -0.108   1.319  1.00  0.00           C  
HETATM   14  C   UNL     1       2.670  -0.961   1.449  1.00  0.00           C  
HETATM   15  C   UNL     1       3.749  -0.860   0.582  1.00  0.00           C  
HETATM   16  C   UNL     1       5.696  -1.827  -0.383  1.00  0.00           C  
HETATM   17  C   UNL     1       6.019  -0.416  -0.893  1.00  0.00           C  
HETATM   18  C   UNL     1       3.746   0.101  -0.424  1.00  0.00           C  
HETATM   19  C   UNL     1       2.664   0.955  -0.561  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.042  -1.585   0.235  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.207  -4.292  -0.409  1.00  0.00           N  
HETATM   22  O   UNL     1      -4.064   2.928  -0.189  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.362   0.035   0.206  1.00  0.00           O  
HETATM   24  O   UNL     1       4.804  -1.708   0.730  1.00  0.00           O  
HETATM   25  O   UNL     1       4.793   0.209  -1.287  1.00  0.00           O  
HETATM   26  S   UNL     1      -0.938   3.878  -0.073  1.00  0.00           S  
HETATM   27  H   UNL     1      -4.667   0.413  -0.020  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.839  -2.860   1.897  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.329  -2.087   1.353  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.290  -3.470  -0.663  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.473  -4.536   0.751  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.750  -3.746  -1.727  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.164  -3.019  -2.080  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.614  -1.294  -1.134  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.009  -2.337   0.255  1.00  0.00           H  
HETATM   36  H   UNL     1       1.522   3.617   0.095  1.00  0.00           H  
HETATM   37  H   UNL     1       0.755  -0.190   1.996  1.00  0.00           H  
HETATM   38  H   UNL     1       2.674  -1.708   2.228  1.00  0.00           H  
HETATM   39  H   UNL     1       5.220  -2.404  -1.175  1.00  0.00           H  
HETATM   40  H   UNL     1       6.614  -2.323  -0.067  1.00  0.00           H  
HETATM   41  H   UNL     1       6.488   0.164  -0.098  1.00  0.00           H  
HETATM   42  H   UNL     1       6.692  -0.480  -1.748  1.00  0.00           H  
HETATM   43  H   UNL     1       2.661   1.702  -1.340  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.050  -5.162  -0.894  1.00  0.00           H  
CONECT    1    9   22   22    2                                       
CONECT    2    1    3    3   27                                       
CONECT    3   23    2    2   20                                       
CONECT    4   20    5   28   29                                       
CONECT    5    4   21   30   31                                       
CONECT    6    7   21   32   33                                       
CONECT    7   20    6   34   35                                       
CONECT    8   11    9    9   23                                       
CONECT    9   26    8    8    1                                       
CONECT   10   26   11   11   36                                       
CONECT   11   10   10   12    8                                       
CONECT   12   19   11   13   13                                       
CONECT   13   12   12   14   37                                       
CONECT   14   15   15   13   38                                       
CONECT   15   18   24   14   14                                       
CONECT   16   17   24   39   40                                       
CONECT   17   25   16   41   42                                       
CONECT   18   25   19   19   15                                       
CONECT   19   18   18   12   43                                       
CONECT   20    3    4    7                                            
CONECT   21    5    6   44                                            
CONECT   22    1    1                                                 
CONECT   23    8    3                                                 
CONECT   24   16   15                                                 
CONECT   25   17   18                                                 
CONECT   26   10    9                                                 
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
