COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.200   0.704   0.179  1.00  0.00           C  
HETATM    2  C   UNL     1       7.752   1.185   0.066  1.00  0.00           C  
HETATM    3  O   UNL     1       5.063   1.341  -0.066  1.00  0.00           O  
HETATM    4  N   UNL     1       4.681  -0.836   0.154  1.00  0.00           N  
HETATM    5  C   UNL     1       3.311  -0.646   0.075  1.00  0.00           C  
HETATM    6  C   UNL     1       1.134  -1.242   0.051  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.006  -2.071   0.093  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.261  -1.491  -0.027  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.362  -0.101  -0.186  1.00  0.00           C  
HETATM   10  C   UNL     1       0.943   0.135  -0.110  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.155   3.897  -0.733  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.347   4.307   0.154  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.836   2.125   0.751  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.597  -3.468  -0.793  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.703  -4.190  -0.727  1.00  0.00           N  
HETATM   16  N   UNL     1       6.847   0.036   0.151  1.00  0.00           N  
HETATM   17  C   UNL     1       5.514   0.221   0.075  1.00  0.00           C  
HETATM   18  N   UNL     1       2.434  -1.586   0.144  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.280   0.649  -0.222  1.00  0.00           N  
HETATM   20  S   UNL     1       2.525   0.913  -0.127  1.00  0.00           S  
HETATM   21  O   UNL     1      -2.585   0.475  -0.304  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.620   1.895  -0.463  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.073   2.359  -0.578  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.905   3.101   0.703  1.00  0.00           O  
HETATM   25  C   UNL     1      -2.482  -2.331   0.012  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.689  -3.846   0.078  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.623  -2.779   0.849  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.549  -2.009   0.854  1.00  0.00           C  
HETATM   29  H   UNL     1       9.873   1.558   0.115  1.00  0.00           H  
HETATM   30  H   UNL     1       9.341   0.200   1.136  1.00  0.00           H  
HETATM   31  H   UNL     1       9.416   0.009  -0.632  1.00  0.00           H  
HETATM   32  H   UNL     1       7.535   1.880   0.877  1.00  0.00           H  
HETATM   33  H   UNL     1       7.610   1.689  -0.891  1.00  0.00           H  
HETATM   34  H   UNL     1       5.042  -1.730   0.265  1.00  0.00           H  
HETATM   35  H   UNL     1       0.096  -3.140   0.215  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.342   4.167  -1.772  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.236   4.365  -0.377  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.004   4.957   0.959  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.095   4.824  -0.447  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.241   1.114   0.790  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.184   2.312   1.604  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.793  -3.756  -1.455  1.00  0.00           H  
HETATM   43  H   UNL     1       7.207  -0.858   0.263  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.155   2.369   0.402  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.077   2.173  -1.366  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.575   1.859  -1.407  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.578  -4.459   0.107  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.501  -1.138   1.492  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1   16   32   33                                       
CONECT    3   17   17                                                 
CONECT    4   17    5   34                                            
CONECT    5    4   20   18   18                                       
CONECT    6   18   10   10    7                                       
CONECT    7    6    8    8   35                                       
CONECT    8    7    7    9   25                                       
CONECT    9   19   19    8   21                                       
CONECT   10   20    6    6   19                                       
CONECT   11   23   12   36   37                                       
CONECT   12   24   11   38   39                                       
CONECT   13   24   23   40   41                                       
CONECT   14   25   25   15   42                                       
CONECT   15   14   26   26                                            
CONECT   16    2   17   43                                            
CONECT   17   16    3    3    4                                       
CONECT   18    5    5    6                                            
CONECT   19   10    9    9                                            
CONECT   20    5   10                                                 
CONECT   21    9   22                                                 
CONECT   22   21   23   44   45                                       
CONECT   23   22   13   11   46                                       
CONECT   24   13   12                                                 
CONECT   25    8   14   14   28                                       
CONECT   26   15   15   27   47                                       
CONECT   27   28   28   26                                            
CONECT   28   25   27   27   48                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
