COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.700   0.030   0.647  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.193  -1.405   0.087  1.00  0.00           N  
HETATM    3  C   UNL     1       0.216  -1.623  -1.307  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.755  -0.699   0.299  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.088  -0.431   0.223  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.359   1.642  -0.201  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.128   2.485  -0.344  1.00  0.00           C  
HETATM    8  O   UNL     1       3.732  -0.249  -2.258  1.00  0.00           O  
HETATM    9  C   UNL     1       3.412  -0.166  -1.092  1.00  0.00           C  
HETATM   10  C   UNL     1       4.470  -0.038  -0.027  1.00  0.00           C  
HETATM   11  C   UNL     1       5.849  -0.275  -0.647  1.00  0.00           C  
HETATM   12  C   UNL     1       6.924  -0.145   0.434  1.00  0.00           C  
HETATM   13  C   UNL     1       6.871   1.259   1.039  1.00  0.00           C  
HETATM   14  C   UNL     1       5.493   1.497   1.659  1.00  0.00           C  
HETATM   15  C   UNL     1       4.418   1.367   0.578  1.00  0.00           C  
HETATM   16  N   UNL     1       2.109  -0.189  -0.747  1.00  0.00           N  
HETATM   17  C   UNL     1       0.844  -1.160   1.099  1.00  0.00           C  
HETATM   18  C   UNL     1       1.072  -0.433  -1.760  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.793  -1.433   0.510  1.00  0.00           S  
HETATM   20  O   UNL     1      -2.428  -2.339  -0.381  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.833  -1.576   1.923  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.455   0.161   0.153  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.842   0.351   0.087  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.544   0.786  -0.043  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.753   1.812  -0.250  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.470   2.706  -0.416  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.622   1.218  -0.060  1.00  0.00           C  
HETATM   28  H   UNL     1       2.584   0.106   1.280  1.00  0.00           H  
HETATM   29  H   UNL     1       1.117   0.948   0.720  1.00  0.00           H  
HETATM   30  H   UNL     1       0.800  -2.541  -1.378  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.668  -1.703  -1.940  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.405  -1.696   0.521  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.794  -1.232   0.384  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.445   3.305  -0.509  1.00  0.00           H  
HETATM   35  H   UNL     1       4.291  -0.777   0.754  1.00  0.00           H  
HETATM   36  H   UNL     1       5.886  -1.276  -1.078  1.00  0.00           H  
HETATM   37  H   UNL     1       6.028   0.464  -1.428  1.00  0.00           H  
HETATM   38  H   UNL     1       6.745  -0.884   1.215  1.00  0.00           H  
HETATM   39  H   UNL     1       7.906  -0.314  -0.007  1.00  0.00           H  
HETATM   40  H   UNL     1       7.637   1.352   1.809  1.00  0.00           H  
HETATM   41  H   UNL     1       7.050   1.998   0.258  1.00  0.00           H  
HETATM   42  H   UNL     1       5.314   0.758   2.440  1.00  0.00           H  
HETATM   43  H   UNL     1       5.455   2.497   2.090  1.00  0.00           H  
HETATM   44  H   UNL     1       4.597   2.105  -0.203  1.00  0.00           H  
HETATM   45  H   UNL     1       3.436   1.536   1.020  1.00  0.00           H  
HETATM   46  H   UNL     1       1.473  -2.045   1.201  1.00  0.00           H  
HETATM   47  H   UNL     1       0.375  -0.930   2.056  1.00  0.00           H  
HETATM   48  H   UNL     1       1.541  -0.663  -2.716  1.00  0.00           H  
HETATM   49  H   UNL     1       0.443   0.451  -1.861  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.172   2.784  -0.463  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.848   3.694  -0.636  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.554   1.072  -0.010  1.00  0.00           H  
CONECT    1   16   17   28   29                                       
CONECT    2   17    3   19                                            
CONECT    3   18    2   30   31                                       
CONECT    4    5    5   23   32                                       
CONECT    5   24    4    4   33                                       
CONECT    6   25   26   26   23                                       
CONECT    7   26   27   27   34                                       
CONECT    8    9    9                                                 
CONECT    9   10    8    8   16                                       
CONECT   10   15   11    9   35                                       
CONECT   11   12   10   36   37                                       
CONECT   12   13   11   38   39                                       
CONECT   13   14   12   40   41                                       
CONECT   14   13   15   42   43                                       
CONECT   15   14   10   44   45                                       
CONECT   16    9   18    1                                            
CONECT   17    1    2   46   47                                       
CONECT   18   16    3   48   49                                       
CONECT   19   22    2   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   23   23   27   19                                       
CONECT   23    6    4   22   22                                       
CONECT   24   25   25    5                                            
CONECT   25   24   24    6   50                                       
CONECT   26    6    6    7   51                                       
CONECT   27    7    7   22   52                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
