COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.305  -1.156  -1.798  1.00  0.00           C  
HETATM    2  O   UNL     1       6.970  -0.656  -1.521  1.00  0.00           O  
HETATM    3  C   UNL     1       6.311  -1.212  -0.487  1.00  0.00           C  
HETATM    4  O   UNL     1       6.837  -2.091   0.167  1.00  0.00           O  
HETATM    5  N   UNL     1       5.068  -0.794  -0.176  1.00  0.00           N  
HETATM    6  C   UNL     1       4.351  -1.398   0.949  1.00  0.00           C  
HETATM    7  C   UNL     1       2.994  -0.758   1.083  1.00  0.00           C  
HETATM    8  C   UNL     1       1.807  -1.250   0.543  1.00  0.00           C  
HETATM    9  C   UNL     1       0.795  -0.377   0.890  1.00  0.00           C  
HETATM   10  N   UNL     1       1.364   0.623   1.626  1.00  0.00           N  
HETATM   11  N   UNL     1       2.734   0.350   1.730  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.627  -0.500   0.535  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.562  -1.993   0.504  1.00  0.00           S  
HETATM   14  C   UNL     1      -2.988  -1.092   0.000  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.691   0.174  -0.104  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.459   0.528   0.175  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.026   1.855   0.105  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.777   2.704   1.039  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.181   4.114   1.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.249   4.694  -0.373  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.644   5.989  -0.388  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.500   3.767  -1.334  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.116   2.367  -1.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.317  -1.679  -0.265  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.377  -0.863  -0.667  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.615  -1.418  -0.912  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.809  -2.780  -0.761  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.764  -3.594  -0.363  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.518  -3.053  -0.120  1.00  0.00           C  
HETATM   30  H   UNL     1       8.940  -0.997  -0.926  1.00  0.00           H  
HETATM   31  H   UNL     1       8.254  -2.222  -2.021  1.00  0.00           H  
HETATM   32  H   UNL     1       8.722  -0.625  -2.653  1.00  0.00           H  
HETATM   33  H   UNL     1       4.648  -0.092  -0.698  1.00  0.00           H  
HETATM   34  H   UNL     1       4.233  -2.467   0.772  1.00  0.00           H  
HETATM   35  H   UNL     1       4.918  -1.243   1.867  1.00  0.00           H  
HETATM   36  H   UNL     1       1.698  -2.152  -0.042  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.821   2.751   0.726  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.717   2.282   2.042  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.749   4.747   1.723  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.142   4.069   1.368  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.291   4.776  -0.684  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.652   6.417  -1.255  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.581   4.153  -2.350  1.00  0.00           H  
HETATM   44  H   UNL     1       0.550   3.716  -1.046  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.575   1.701  -1.940  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.162   2.416  -1.569  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.227   0.200  -0.785  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.436  -0.788  -1.223  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.781  -3.209  -0.954  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.922  -4.656  -0.246  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.702  -3.690   0.186  1.00  0.00           H  
HETATM   52  H   UNL     1       0.902   1.384   2.011  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   33                                            
CONECT    6    5    7   34   35                                       
CONECT    7    6    8   11   11                                       
CONECT    8    7    9    9   36                                       
CONECT    9    8    8   12   10                                       
CONECT   10    9   11   52                                            
CONECT   11    7    7   10                                            
CONECT   12    9   16   16   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   24                                       
CONECT   15   14   14   16                                            
CONECT   16   12   12   15   17                                       
CONECT   17   16   23   18                                            
CONECT   18   17   19   37   38                                       
CONECT   19   18   20   39   40                                       
CONECT   20   19   21   22   41                                       
CONECT   21   20   42                                                 
CONECT   22   20   23   43   44                                       
CONECT   23   17   22   45   46                                       
CONECT   24   14   25   25   29                                       
CONECT   25   24   24   26   47                                       
CONECT   26   25   27   27   48                                       
CONECT   27   26   26   28   49                                       
CONECT   28   27   29   29   50                                       
CONECT   29   24   28   28   51                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   10                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
