COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.776   1.992   0.119  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.491   2.583   0.062  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.368   1.742  -0.030  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.568   0.428  -0.060  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.880   0.666   0.078  1.00  0.00           N  
HETATM    6  C   UNL     1       5.348  -2.467  -1.378  1.00  0.00           C  
HETATM    7  S   UNL     1       5.604  -1.347   0.026  1.00  0.00           S  
HETATM    8  O   UNL     1       5.475  -2.050   1.254  1.00  0.00           O  
HETATM    9  O   UNL     1       6.712  -0.490  -0.215  1.00  0.00           O  
HETATM   10  C   UNL     1       4.208  -0.273  -0.008  1.00  0.00           C  
HETATM   11  C   UNL     1       3.062  -0.608   0.690  1.00  0.00           C  
HETATM   12  C   UNL     1       1.966   0.232   0.666  1.00  0.00           C  
HETATM   13  C   UNL     1       4.262   0.907  -0.728  1.00  0.00           C  
HETATM   14  C   UNL     1       3.170   1.751  -0.757  1.00  0.00           C  
HETATM   15  C   UNL     1       2.015   1.414  -0.062  1.00  0.00           C  
HETATM   16  N   UNL     1       0.907   2.266  -0.089  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.389   4.037   0.101  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.300   4.581   0.054  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.516   4.773   0.190  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.753   4.204   0.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.938   2.872   0.215  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.791  -0.085  -0.004  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.936  -1.458  -0.045  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.272  -2.055   0.002  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.862  -2.098  -1.410  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.258  -2.722  -1.360  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.161  -4.144  -0.805  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.572  -4.102   0.606  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.176  -3.478   0.557  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.610  -3.437   1.912  1.00  0.00           N  
HETATM   31  H   UNL     1       5.302  -1.888  -2.301  1.00  0.00           H  
HETATM   32  H   UNL     1       6.174  -3.175  -1.434  1.00  0.00           H  
HETATM   33  H   UNL     1       4.412  -3.010  -1.244  1.00  0.00           H  
HETATM   34  H   UNL     1       3.024  -1.528   1.255  1.00  0.00           H  
HETATM   35  H   UNL     1       1.071  -0.031   1.211  1.00  0.00           H  
HETATM   36  H   UNL     1       5.160   1.168  -1.268  1.00  0.00           H  
HETATM   37  H   UNL     1       3.213   2.672  -1.319  1.00  0.00           H  
HETATM   38  H   UNL     1       1.035   3.226  -0.150  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.444   5.740   0.216  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.618   4.847   0.317  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.934   2.458   0.260  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.152  -2.026  -0.105  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.915  -1.456   0.646  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.931  -1.085  -1.806  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.218  -2.697  -2.054  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.901  -2.123  -0.716  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.678  -2.753  -2.366  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.156  -4.589  -0.770  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.518  -4.744  -1.449  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.215  -3.503   1.251  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.503  -5.115   1.002  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.532  -4.077  -0.087  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.536  -4.365   2.301  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.715  -2.970   1.916  1.00  0.00           H  
CONECT    1    5   21    2    2                                       
CONECT    2    1    1    3   17                                       
CONECT    3    4    4    2   16                                       
CONECT    4   22    3    3                                            
CONECT    5   22   22    1                                            
CONECT    6    7   31   32   33                                       
CONECT    7    6    9    9   10                                       
CONECT    7    8    8                                                 
CONECT    8    7    7                                                 
CONECT    9    7    7                                                 
CONECT   10   13    7   11   11                                       
CONECT   11   10   10   12   34                                       
CONECT   12   15   15   11   35                                       
CONECT   13   14   14   10   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   12   12                                       
CONECT   16    3   15   38                                            
CONECT   17    2   19   18   18                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   39                                            
CONECT   20   21   21   19   40                                       
CONECT   21    1   20   20   41                                       
CONECT   22   23    5    5    4                                       
CONECT   23   24   22   42                                            
CONECT   24   25   23   29   43                                       
CONECT   25   26   24   44   45                                       
CONECT   26   25   27   46   47                                       
CONECT   27   26   28   48   49                                       
CONECT   28   27   29   50   51                                       
CONECT   29   24   28   30   52                                       
CONECT   30   29   53   54                                            
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
