COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.774   0.199   1.273  1.00  0.00           N  
HETATM    2  N   UNL     1       2.599   2.470   0.162  1.00  0.00           N  
HETATM    3  C   UNL     1       4.815   1.124   0.947  1.00  0.00           C  
HETATM    4  C   UNL     1       3.678   3.094   0.599  1.00  0.00           C  
HETATM    5  C   UNL     1       2.559   1.142   0.090  1.00  0.00           C  
HETATM    6  C   UNL     1       0.213   1.255  -0.667  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.989   0.354  -0.544  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.042  -1.761  -0.896  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.155   0.825   0.024  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.398  -1.944   0.789  1.00  0.00           C  
HETATM   11  C   UNL     1       0.294   1.806  -2.092  1.00  0.00           C  
HETATM   12  C   UNL     1       3.690   0.420   0.489  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.397   0.651   2.306  1.00  0.00           O  
HETATM   14  S   UNL     1      -4.707   0.665   0.919  1.00  0.00           S  
HETATM   15  O   UNL     1      -4.948   1.886   0.233  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.000  -0.554   0.539  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.378  -2.249  -0.291  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.224  -1.291  -0.326  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.935  -0.948  -1.005  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.267   0.002   0.141  1.00  0.00           C  
HETATM   21  C   UNL     1       0.297   0.644  -3.088  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.914   2.705  -2.360  1.00  0.00           C  
HETATM   23  N   UNL     1       1.427   0.491  -0.368  1.00  0.00           N  
HETATM   24  N   UNL     1       4.761   2.454   0.984  1.00  0.00           N  
HETATM   25  C   UNL     1       5.320  -1.059   1.041  1.00  0.00           C  
HETATM   26  C   UNL     1       4.044  -1.006   0.563  1.00  0.00           C  
HETATM   27  C   UNL     1       3.195  -2.146   0.189  1.00  0.00           C  
HETATM   28  O   UNL     1       1.998  -2.109   0.405  1.00  0.00           O  
HETATM   29  N   UNL     1       3.742  -3.231  -0.394  1.00  0.00           N  
HETATM   30  C   UNL     1       2.895  -4.367  -0.767  1.00  0.00           C  
HETATM   31  H   UNL     1       6.655   0.415   1.617  1.00  0.00           H  
HETATM   32  H   UNL     1       3.671   4.173   0.642  1.00  0.00           H  
HETATM   33  H   UNL     1       0.122   2.081   0.038  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.991  -2.779  -1.254  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.204   1.843   0.382  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.907  -1.959   1.763  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.189  -2.694   0.768  1.00  0.00           H  
HETATM   38  H   UNL     1       1.211   2.385  -2.206  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.303  -0.462  -0.504  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.860  -0.399   1.192  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.995  -3.257  -0.134  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.878  -2.215  -1.260  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.027  -1.327  -1.449  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.619   0.065  -2.974  1.00  0.00           H  
HETATM   45  H   UNL     1       0.355   1.037  -4.103  1.00  0.00           H  
HETATM   46  H   UNL     1       1.158   0.004  -2.897  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.916   3.532  -1.651  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.856   3.098  -3.376  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.830   2.126  -2.246  1.00  0.00           H  
HETATM   50  H   UNL     1       1.438  -0.471  -0.492  1.00  0.00           H  
HETATM   51  H   UNL     1       5.883  -1.965   1.214  1.00  0.00           H  
HETATM   52  H   UNL     1       4.696  -3.260  -0.566  1.00  0.00           H  
HETATM   53  H   UNL     1       2.407  -4.764   0.123  1.00  0.00           H  
HETATM   54  H   UNL     1       2.139  -4.038  -1.480  1.00  0.00           H  
HETATM   55  H   UNL     1       3.510  -5.144  -1.222  1.00  0.00           H  
CONECT    1   25    3   31                                            
CONECT    2    4    4    5                                            
CONECT    3    1   24   24   12                                       
CONECT    4   24    2    2   32                                       
CONECT    5    2   23   12   12                                       
CONECT    6   23    7   11   33                                       
CONECT    7    6   19   19    9                                       
CONECT    8   19   18   18   34                                       
CONECT    9   20   20    7   35                                       
CONECT   10   16   17   36   37                                       
CONECT   11    6   22   21   38                                       
CONECT   12    5    5   26    3                                       
CONECT   13   14   14                                                 
CONECT   14   20   15   15   13                                       
CONECT   14   13   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   10   39   40                                       
CONECT   17   10   18   41   42                                       
CONECT   18    8    8   20   17                                       
CONECT   19    7    7    8   43                                       
CONECT   20   18    9    9   14                                       
CONECT   21   11   44   45   46                                       
CONECT   22   11   47   48   49                                       
CONECT   23    5    6   50                                            
CONECT   24    3    3    4                                            
CONECT   25   26   26    1   51                                       
CONECT   26   27   25   25   12                                       
CONECT   27   29   28   28   26                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   52                                            
CONECT   30   29   53   54   55                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
