COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.979   3.476   0.091  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.690   3.873   0.027  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.268   5.015   0.038  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.013   2.106   0.051  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.497  -0.697   0.110  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.268  -0.616   1.235  1.00  0.00           C  
HETATM    7  C   UNL     1       0.100   2.631  -0.057  1.00  0.00           C  
HETATM    8  C   UNL     1       1.469   2.522  -0.140  1.00  0.00           C  
HETATM    9  C   UNL     1       2.104   1.202  -0.093  1.00  0.00           C  
HETATM   10  C   UNL     1       1.315   0.038  -0.092  1.00  0.00           C  
HETATM   11  C   UNL     1       1.893  -1.187  -0.049  1.00  0.00           C  
HETATM   12  C   UNL     1       3.300  -1.320  -0.005  1.00  0.00           C  
HETATM   13  C   UNL     1       5.324  -2.297   0.075  1.00  0.00           C  
HETATM   14  C   UNL     1       4.089  -0.161  -0.007  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.086  -0.108   0.046  1.00  0.00           C  
HETATM   16  C   UNL     1       3.495   1.093  -0.056  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.412  -0.540  -1.258  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.331  -2.066  -1.310  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.513  -2.574  -0.121  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.187  -2.143   1.184  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.598  -2.731   1.247  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.416  -2.224   0.058  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.742  -2.655  -1.246  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.164   1.354   0.095  1.00  0.00           N  
HETATM   25  N   UNL     1      -0.808   1.609  -0.035  1.00  0.00           N  
HETATM   26  N   UNL     1       4.051  -2.434   0.041  1.00  0.00           N  
HETATM   27  S   UNL     1       5.779  -0.653   0.053  1.00  0.00           S  
HETATM   28  H   UNL     1      -2.750   4.061   0.157  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.977  -0.389   1.039  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.080  -0.335  -0.738  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.263  -0.196   1.189  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.748  -0.308   2.164  1.00  0.00           H  
HETATM   33  H   UNL     1       2.076   3.410  -0.239  1.00  0.00           H  
HETATM   34  H   UNL     1       0.238   0.121  -0.125  1.00  0.00           H  
HETATM   35  H   UNL     1       1.273  -2.071  -0.048  1.00  0.00           H  
HETATM   36  H   UNL     1       6.023  -3.120   0.113  1.00  0.00           H  
HETATM   37  H   UNL     1       4.109   1.982  -0.061  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.996  -0.178  -2.105  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.407  -0.120  -1.304  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.851  -2.374  -2.239  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.455  -3.662  -0.157  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.507  -2.155  -0.166  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.604  -2.504   2.031  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.539  -3.819   1.211  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.078  -2.424   2.176  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.421  -2.643   0.104  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.325  -2.293  -2.093  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.684  -3.743  -1.282  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.028   1.792   0.158  1.00  0.00           H  
CONECT    1    4    2   28                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2                                                 
CONECT    4   24    1   25   25                                       
CONECT    5   22   15   29   30                                       
CONECT    6   15   20   31   32                                       
CONECT    7    2   25    8    8                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   16   16   10                                       
CONECT   10    9   11   11   34                                       
CONECT   11   10   10   12   35                                       
CONECT   12   14   14   11   26                                       
CONECT   13   27   26   26   36                                       
CONECT   14   16   27   12   12                                       
CONECT   15    5   24   17    6                                       
CONECT   16    9    9   14   37                                       
CONECT   17   15   18   38   39                                       
CONECT   18   23   17   19   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   21    6   19   43                                       
CONECT   21   22   20   44   45                                       
CONECT   22    5   23   21   46                                       
CONECT   23   22   18   47   48                                       
CONECT   24   15    4   49                                            
CONECT   25    4    4    7                                            
CONECT   26   12   13   13                                            
CONECT   27   14   13                                                 
CONECT   28    1                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
