COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.333   0.316  -0.841  1.00  0.00           N  
HETATM    2  C   UNL     1       1.698   1.294   0.186  1.00  0.00           C  
HETATM    3  C   UNL     1       0.674   2.399   0.214  1.00  0.00           C  
HETATM    4  C   UNL     1       3.074   1.882  -0.134  1.00  0.00           C  
HETATM    5  C   UNL     1       4.117   0.798  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1       4.434   0.046  -1.157  1.00  0.00           C  
HETATM    7  C   UNL     1       4.760   0.559   1.159  1.00  0.00           C  
HETATM    8  C   UNL     1       5.391  -0.948  -1.071  1.00  0.00           C  
HETATM    9  C   UNL     1       5.717  -0.435   1.245  1.00  0.00           C  
HETATM   10  C   UNL     1       6.031  -1.190   0.130  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.264   2.373  -0.547  1.00  0.00           O  
HETATM   12  O   UNL     1       0.804   3.414   1.083  1.00  0.00           O  
HETATM   13  S   UNL     1       0.890  -1.219  -0.404  1.00  0.00           S  
HETATM   14  O   UNL     1       0.629  -1.921  -1.611  1.00  0.00           O  
HETATM   15  O   UNL     1       1.843  -1.653   0.557  1.00  0.00           O  
HETATM   16  N   UNL     1      -5.381   0.051   0.464  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.650  -1.095   0.444  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.743  -1.462   1.751  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.952  -1.371   2.437  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.075  -0.913   1.819  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.018  -0.526   0.471  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.787  -0.612  -0.226  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.727  -0.219  -1.574  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.844   0.245  -2.197  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.057   0.340  -1.522  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.162  -0.047  -0.203  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.865   1.438   0.475  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.379  -0.850  -0.129  1.00  0.00           C  
HETATM   29  H   UNL     1       1.348   0.568  -1.778  1.00  0.00           H  
HETATM   30  H   UNL     1       1.730   0.804   1.159  1.00  0.00           H  
HETATM   31  H   UNL     1       3.067   2.293  -1.143  1.00  0.00           H  
HETATM   32  H   UNL     1       3.307   2.672   0.579  1.00  0.00           H  
HETATM   33  H   UNL     1       3.934   0.235  -2.095  1.00  0.00           H  
HETATM   34  H   UNL     1       4.516   1.150   2.030  1.00  0.00           H  
HETATM   35  H   UNL     1       5.638  -1.536  -1.943  1.00  0.00           H  
HETATM   36  H   UNL     1       6.220  -0.621   2.182  1.00  0.00           H  
HETATM   37  H   UNL     1       6.778  -1.967   0.197  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.998   1.785  -0.549  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.818   1.486   1.002  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.138   2.072   0.982  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.025  -1.878  -0.061  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.321  -0.753   0.410  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.531  -0.586  -1.175  1.00  0.00           H  
HETATM   44  H   UNL     1       0.134  -1.828   2.265  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.999  -1.668   3.474  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.006  -0.849   2.362  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.794  -0.285  -2.115  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.788   0.546  -3.233  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.929   0.712  -2.040  1.00  0.00           H  
HETATM   50  H   UNL     1       0.122   4.099   1.064  1.00  0.00           H  
CONECT    1    2   13   29                                            
CONECT    2    1    3    4   30                                       
CONECT    3    2   12   11   11                                       
CONECT    4    2    5   31   32                                       
CONECT    5    4    6    7    7                                       
CONECT    6    5    8    8   33                                       
CONECT    7    5    5    9   34                                       
CONECT    8    6    6   10   35                                       
CONECT    9    7   10   10   36                                       
CONECT   10    8    9    9   37                                       
CONECT   11    3    3                                                 
CONECT   12    3   50                                                 
CONECT   13    1   14   14   15                                       
CONECT   13   15   17                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   26   27   28                                            
CONECT   17   13   18   22   22                                       
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   21   21   46                                       
CONECT   21   20   20   22   26                                       
CONECT   22   17   17   21   23                                       
CONECT   23   22   24   24   47                                       
CONECT   24   23   23   25   48                                       
CONECT   25   24   26   26   49                                       
CONECT   26   16   21   25   25                                       
CONECT   27   16   38   39   40                                       
CONECT   28   16   41   42   43                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   27                                                      
CONECT   39   27                                                      
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42   28                                                      
CONECT   43   28                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   12                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
