COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.283   0.423  -1.428  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.425   1.047  -0.833  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.699   2.415  -0.343  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.002   2.902  -0.295  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.240   4.185   0.166  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.192   4.987   0.580  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.891   4.519   0.540  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.634   3.231   0.080  1.00  0.00           C  
HETATM    9  C   UNL     1       0.750   2.711   0.031  1.00  0.00           C  
HETATM   10  O   UNL     1       1.696   3.466   0.153  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.103   0.449  -0.587  1.00  0.00           C  
HETATM   12  C   UNL     1       0.969   1.269  -0.167  1.00  0.00           C  
HETATM   13  C   UNL     1       2.224   0.699   0.061  1.00  0.00           C  
HETATM   14  N   UNL     1       3.282   1.491   0.479  1.00  0.00           N  
HETATM   15  C   UNL     1       0.106  -0.922  -0.769  1.00  0.00           C  
HETATM   16  C   UNL     1       1.370  -1.469  -0.529  1.00  0.00           C  
HETATM   17  C   UNL     1       2.409  -0.674  -0.133  1.00  0.00           C  
HETATM   18  S   UNL     1       3.993  -1.389   0.155  1.00  0.00           S  
HETATM   19  O   UNL     1       3.961  -1.918   1.474  1.00  0.00           O  
HETATM   20  O   UNL     1       4.127  -2.581  -0.783  1.00  0.00           O  
HETATM   21  O   UNL     1       4.951  -0.431  -0.275  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.937  -1.735  -1.186  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.913  -2.141  -0.273  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.774  -1.840   1.076  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.741  -2.243   1.975  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.847  -2.946   1.535  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.989  -3.248   0.193  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.197  -4.014  -0.282  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.029  -2.842  -0.713  1.00  0.00           C  
HETATM   30  H   UNL     1      -3.825   2.282  -0.618  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.251   4.562   0.203  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.391   5.987   0.937  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.077   5.150   0.864  1.00  0.00           H  
HETATM   34  H   UNL     1       4.027   1.094   0.957  1.00  0.00           H  
HETATM   35  H   UNL     1       3.278   2.444   0.293  1.00  0.00           H  
HETATM   36  H   UNL     1       1.530  -2.528  -0.670  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.989  -2.022  -2.111  1.00  0.00           H  
HETATM   38  H   UNL     1       4.969  -3.050  -0.705  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.910  -1.291   1.421  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.143  -3.074  -1.762  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.633  -2.009   3.024  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.602  -3.260   2.240  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.991  -3.315  -0.543  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.930  -4.604  -1.160  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.541  -4.677   0.511  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   31                                       
CONECT    6    5    7    7   32                                       
CONECT    7    6    6    8   33                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   10   12                                       
CONECT   10    9    9                                                 
CONECT   11    2   12   15   15                                       
CONECT   12    9   11   13   13                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   34   35                                            
CONECT   15   11   11   16   22                                       
CONECT   16   15   17   17   36                                       
CONECT   17   13   16   16   18                                       
CONECT   18   17   19   19   20                                       
CONECT   18   21   21                                                 
CONECT   19   18   18                                                 
CONECT   20   18   38                                                 
CONECT   21   18   18                                                 
CONECT   22   15   23   37                                            
CONECT   23   22   24   29   29                                       
CONECT   24   23   25   25   39                                       
CONECT   25   24   24   26   41                                       
CONECT   26   25   27   27   42                                       
CONECT   27   26   26   28   29                                       
CONECT   28   27   43   44   45                                       
CONECT   29   23   23   27   40                                       
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   22                                                      
CONECT   38   20                                                      
CONECT   39   24                                                      
CONECT   40   29                                                      
CONECT   41   25                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
