COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.338   0.296  -1.481  1.00  0.00           N  
HETATM    2  C   UNL     1       2.154   0.715  -0.220  1.00  0.00           C  
HETATM    3  C   UNL     1       1.017   1.451  -0.182  1.00  0.00           C  
HETATM    4  N   UNL     1       0.521   1.475  -1.460  1.00  0.00           N  
HETATM    5  C   UNL     1       1.370   0.743  -2.232  1.00  0.00           C  
HETATM    6  C   UNL     1       0.042   0.830   2.256  1.00  0.00           C  
HETATM    7  S   UNL     1       0.319   2.236   1.231  1.00  0.00           S  
HETATM    8  C   UNL     1      -0.518   0.987   3.518  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.734  -0.117   4.319  1.00  0.00           C  
HETATM   10 CL   UNL     1      -1.435   0.078   5.895  1.00  0.00          Cl  
HETATM   11  C   UNL     1      -0.394  -1.380   3.866  1.00  0.00           C  
HETATM   12  C   UNL     1       0.163  -1.540   2.609  1.00  0.00           C  
HETATM   13 CL   UNL     1       0.589  -3.125   2.045  1.00  0.00          Cl  
HETATM   14  C   UNL     1       0.377  -0.439   1.801  1.00  0.00           C  
HETATM   15  C   UNL     1       3.052   0.414   0.951  1.00  0.00           C  
HETATM   16  C   UNL     1       3.126  -1.099   1.162  1.00  0.00           C  
HETATM   17  C   UNL     1       4.454   0.959   0.673  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.696   2.155  -1.908  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.870   1.217  -1.784  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.614   1.163  -0.615  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.684   0.291  -0.538  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.998  -0.482  -1.558  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.312  -0.458  -2.684  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.234   0.392  -2.837  1.00  0.00           C  
HETATM   25  C   UNL     1       1.216   0.489  -3.710  1.00  0.00           C  
HETATM   26  O   UNL     1       0.439  -0.719  -3.915  1.00  0.00           O  
HETATM   27  C   UNL     1       0.173  -1.144  -5.165  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.548  -2.266  -5.355  1.00  0.00           N  
HETATM   29  O   UNL     1       0.583  -0.516  -6.120  1.00  0.00           O  
HETATM   30  H   UNL     1      -0.783   1.972   3.872  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.564  -2.242   4.494  1.00  0.00           H  
HETATM   32  H   UNL     1       0.813  -0.564   0.821  1.00  0.00           H  
HETATM   33  H   UNL     1       2.650   0.887   1.848  1.00  0.00           H  
HETATM   34  H   UNL     1       3.775  -1.316   2.010  1.00  0.00           H  
HETATM   35  H   UNL     1       2.127  -1.487   1.361  1.00  0.00           H  
HETATM   36  H   UNL     1       3.528  -1.571   0.266  1.00  0.00           H  
HETATM   37  H   UNL     1       4.856   0.487  -0.223  1.00  0.00           H  
HETATM   38  H   UNL     1       4.402   2.037   0.523  1.00  0.00           H  
HETATM   39  H   UNL     1       5.104   0.741   1.520  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.869   3.036  -1.291  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.582   2.456  -2.950  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.362   1.795   0.223  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.269   0.244   0.368  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.599  -1.108  -3.498  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.676   0.407  -3.762  1.00  0.00           H  
HETATM   46  H   UNL     1       0.704   1.333  -4.172  1.00  0.00           H  
HETATM   47  H   UNL     1       2.201   0.369  -4.162  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.740  -2.573  -6.255  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.876  -2.767  -4.592  1.00  0.00           H  
CONECT    1    2    5    5                                            
CONECT    2    1    3    3   15                                       
CONECT    3    2    2    4    7                                       
CONECT    4    3    5   18                                            
CONECT    5    1    1    4   25                                       
CONECT    6    7    8    8   14                                       
CONECT    7    3    6                                                 
CONECT    8    6    6    9   30                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9                                                      
CONECT   11    9    9   12   31                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12                                                      
CONECT   14    6   12   12   32                                       
CONECT   15    2   16   17   33                                       
CONECT   16   15   34   35   36                                       
CONECT   17   15   37   38   39                                       
CONECT   18    4   19   40   41                                       
CONECT   19   18   20   20   24                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   24   44                                       
CONECT   24   19   23   23   45                                       
CONECT   25    5   26   46   47                                       
CONECT   26   25   27                                                 
CONECT   27   26   28   29   29                                       
CONECT   28   27   48   49                                            
CONECT   29   27   27                                                 
CONECT   30    8                                                      
CONECT   31   11                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
