COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.781  -2.404  -0.009  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.930  -3.415   0.105  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.431  -4.703   0.205  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.621  -3.237   0.126  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.102  -2.008   0.031  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.977  -0.914  -0.091  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.350  -1.151  -0.108  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.227  -0.125  -0.225  1.00  0.00           O  
HETATM    9  N   UNL     1      -0.180   0.213  -0.169  1.00  0.00           N  
HETATM   10  C   UNL     1       1.117  -0.210  -0.095  1.00  0.00           C  
HETATM   11  N   UNL     1       1.150  -1.518   0.022  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.617  -0.458  -0.235  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.447   0.820  -0.372  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.926   0.456  -0.508  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.756   1.734  -0.645  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.557   2.607   0.595  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.078   2.971   0.731  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.248   1.693   0.869  1.00  0.00           C  
HETATM   19  C   UNL     1       2.303   0.671  -0.141  1.00  0.00           C  
HETATM   20  C   UNL     1       2.147   2.051  -0.269  1.00  0.00           C  
HETATM   21  C   UNL     1       3.258   2.868  -0.311  1.00  0.00           C  
HETATM   22  C   UNL     1       4.526   2.320  -0.227  1.00  0.00           C  
HETATM   23  C   UNL     1       4.688   0.952  -0.101  1.00  0.00           C  
HETATM   24  C   UNL     1       3.585   0.125  -0.051  1.00  0.00           C  
HETATM   25  S   UNL     1       6.307   0.265   0.005  1.00  0.00           S  
HETATM   26  O   UNL     1       7.183   1.205  -0.602  1.00  0.00           O  
HETATM   27  N   UNL     1       6.715   0.214   1.609  1.00  0.00           N  
HETATM   28  O   UNL     1       6.199  -1.085  -0.424  1.00  0.00           O  
HETATM   29  H   UNL     1      -3.389  -4.853   0.192  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.823  -5.455   0.289  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.484   1.129  -0.260  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.826  -1.119  -1.075  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.877  -0.961   0.697  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.125   1.368  -1.257  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.068  -0.166  -1.392  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.248  -0.093   0.377  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.434   2.282  -1.531  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.810   1.474  -0.742  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.149   3.517   0.498  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.879   2.058   1.481  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.756   3.520  -0.154  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.936   3.593   1.615  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.570   1.144   1.754  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.194   1.953   0.965  1.00  0.00           H  
HETATM   45  H   UNL     1       1.158   2.480  -0.335  1.00  0.00           H  
HETATM   46  H   UNL     1       3.138   3.937  -0.410  1.00  0.00           H  
HETATM   47  H   UNL     1       5.393   2.964  -0.261  1.00  0.00           H  
HETATM   48  H   UNL     1       3.713  -0.942   0.053  1.00  0.00           H  
HETATM   49  H   UNL     1       7.313  -0.476   1.936  1.00  0.00           H  
HETATM   50  H   UNL     1       6.355   0.874   2.222  1.00  0.00           H  
CONECT    1    2    2    7                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   29   30                                            
CONECT    4    2    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    7    7    9                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7   12                                                 
CONECT    9    6   10   31                                            
CONECT   10    9   11   11   19                                       
CONECT   11    5   10   10                                            
CONECT   12    8   13   32   33                                       
CONECT   13   12   14   18   34                                       
CONECT   14   13   15   35   36                                       
CONECT   15   14   16   37   38                                       
CONECT   16   15   17   39   40                                       
CONECT   17   16   18   41   42                                       
CONECT   18   13   17   43   44                                       
CONECT   19   10   20   20   24                                       
CONECT   20   19   19   21   45                                       
CONECT   21   20   22   22   46                                       
CONECT   22   21   21   23   47                                       
CONECT   23   22   24   24   25                                       
CONECT   24   19   23   23   48                                       
CONECT   25   23   26   26   27                                       
CONECT   25   28   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   49   50                                            
CONECT   28   25   25                                                 
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
