COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.892   4.466  -0.392  1.00  0.00           C  
HETATM    2  N   UNL     1       5.596  -0.338   1.222  1.00  0.00           N  
HETATM    3  O   UNL     1       4.599   1.820   0.555  1.00  0.00           O  
HETATM    4  O   UNL     1       5.347   0.182  -1.178  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.336   2.535  -0.655  1.00  0.00           C  
HETATM    6  C   UNL     1       0.858  -0.222   0.800  1.00  0.00           C  
HETATM    7  C   UNL     1       1.577  -1.797  -0.867  1.00  0.00           C  
HETATM    8  C   UNL     1       2.129   0.316   0.836  1.00  0.00           C  
HETATM    9  C   UNL     1       2.846  -1.254  -0.827  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.068   1.176  -0.591  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.337  -3.321  -0.123  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.357  -1.677  -0.210  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.031  -3.197  -0.082  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.536   2.165   0.098  1.00  0.00           N  
HETATM   15  S   UNL     1      -4.631  -0.183   0.771  1.00  0.00           S  
HETATM   16  C   UNL     1      -2.593   2.992  -0.307  1.00  0.00           C  
HETATM   17  C   UNL     1       0.577  -1.282  -0.052  1.00  0.00           C  
HETATM   18  C   UNL     1       3.122  -0.199   0.023  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.900  -2.052  -0.161  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.088   0.322  -0.176  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.334   0.856   0.188  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.878  -1.137  -0.141  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.711  -1.830  -0.090  1.00  0.00           N  
HETATM   24  S   UNL     1       4.743   0.492   0.070  1.00  0.00           S  
HETATM   25  H   UNL     1      -3.277   4.702  -1.384  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.637   4.730   0.358  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.979   5.033  -0.212  1.00  0.00           H  
HETATM   28  H   UNL     1       5.171  -1.056   1.717  1.00  0.00           H  
HETATM   29  H   UNL     1       6.520  -0.106   1.401  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.570   3.229  -0.969  1.00  0.00           H  
HETATM   31  H   UNL     1       0.083   0.178   1.438  1.00  0.00           H  
HETATM   32  H   UNL     1       1.362  -2.621  -1.531  1.00  0.00           H  
HETATM   33  H   UNL     1       2.348   1.141   1.498  1.00  0.00           H  
HETATM   34  H   UNL     1       3.624  -1.654  -1.460  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.095   0.790  -0.856  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.882  -4.253  -0.128  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.956  -2.492   0.197  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.649  -1.492  -1.243  1.00  0.00           H  
CONECT    1   16   25   26   27                                       
CONECT    2   24   28   29                                            
CONECT    3   24   24                                                 
CONECT    4   24   24                                                 
CONECT    5   10   10   16   30                                       
CONECT    6    8    8   17   31                                       
CONECT    7    9   17   17   32                                       
CONECT    8    6    6   18   33                                       
CONECT    9    7   18   18   34                                       
CONECT   10    5    5   20   35                                       
CONECT   11   13   13   19   36                                       
CONECT   12   15   19   37   38                                       
CONECT   13   11   11   23                                            
CONECT   14   16   16   21                                            
CONECT   15   12   21                                                 
CONECT   16    1    5   14   14                                       
CONECT   17    6    7    7   23                                       
CONECT   18    8    9    9   24                                       
CONECT   19   11   12   22   22                                       
CONECT   20   10   21   21   22                                       
CONECT   21   14   15   20   20                                       
CONECT   22   19   19   20   23                                       
CONECT   23   13   17   22                                            
CONECT   24    2    3    3    4                                       
CONECT   24    4   18                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
