COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.870   0.770  -0.179  1.00  0.00           N  
HETATM    2  N   UNL     1      -4.060   0.100  -0.205  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.198   1.506  -0.113  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.245   2.539  -0.152  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.588   2.127  -0.185  1.00  0.00           C  
HETATM    6  O   UNL     1       4.297   1.472   0.250  1.00  0.00           O  
HETATM    7  N   UNL     1      -3.815  -1.242  -0.185  1.00  0.00           N  
HETATM    8  O   UNL     1       1.717  -1.574   1.262  1.00  0.00           O  
HETATM    9  C   UNL     1       1.895  -0.380   1.251  1.00  0.00           C  
HETATM   10  C   UNL     1       1.749   0.415   2.523  1.00  0.00           C  
HETATM   11  C   UNL     1       2.264   0.315  -0.034  1.00  0.00           C  
HETATM   12  C   UNL     1       3.763   0.453  -0.118  1.00  0.00           C  
HETATM   13  O   UNL     1       4.503  -0.557  -0.602  1.00  0.00           O  
HETATM   14  C   UNL     1       5.940  -0.354  -0.654  1.00  0.00           C  
HETATM   15  C   UNL     1       6.611  -1.603  -1.229  1.00  0.00           C  
HETATM   16  S   UNL     1       1.505   1.957  -0.071  1.00  0.00           S  
HETATM   17  N   UNL     1      -0.555   0.235  -0.118  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.933   3.898  -0.149  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.951   4.827  -0.186  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.276   4.419  -0.227  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.599   3.077  -0.222  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.409  -1.419  -0.145  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.839  -0.145  -0.148  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.725  -2.635  -0.114  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.506  -2.649  -0.080  1.00  0.00           O  
HETATM   26  O   UNL     1      -2.414  -3.799  -0.122  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.650  -5.006  -0.089  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.595  -6.209  -0.103  1.00  0.00           C  
HETATM   29  H   UNL     1      -4.645   0.373   0.571  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.482  -1.947  -0.196  1.00  0.00           H  
HETATM   31  H   UNL     1       2.710   0.460   3.036  1.00  0.00           H  
HETATM   32  H   UNL     1       1.418   1.425   2.284  1.00  0.00           H  
HETATM   33  H   UNL     1       1.014  -0.065   3.169  1.00  0.00           H  
HETATM   34  H   UNL     1       1.905  -0.271  -0.880  1.00  0.00           H  
HETATM   35  H   UNL     1       6.164   0.503  -1.289  1.00  0.00           H  
HETATM   36  H   UNL     1       6.318  -0.170   0.352  1.00  0.00           H  
HETATM   37  H   UNL     1       7.689  -1.451  -1.268  1.00  0.00           H  
HETATM   38  H   UNL     1       6.387  -2.460  -0.595  1.00  0.00           H  
HETATM   39  H   UNL     1       6.233  -1.787  -2.235  1.00  0.00           H  
HETATM   40  H   UNL     1       0.097   4.220  -0.117  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.715   5.881  -0.184  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.063   5.158  -0.257  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.633   2.768  -0.248  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.997  -5.047  -0.960  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.046  -5.029   0.819  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.248  -6.169   0.769  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.199  -6.186  -1.010  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.012  -7.130  -0.078  1.00  0.00           H  
CONECT    1    2    5   23                                            
CONECT    2    1    7   29                                            
CONECT    3    4   16   17   17                                       
CONECT    4    3    5    5   18                                       
CONECT    5    1    4    4   21                                       
CONECT    6   12   12                                                 
CONECT    7    2   22   30                                            
CONECT    8    9    9                                                 
CONECT    9    8    8   10   11                                       
CONECT   10    9   31   32   33                                       
CONECT   11    9   12   16   34                                       
CONECT   12    6    6   11   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   35   36                                       
CONECT   15   14   37   38   39                                       
CONECT   16    3   11                                                 
CONECT   17    3    3   23                                            
CONECT   18    4   19   19   40                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21   42                                       
CONECT   21    5   20   20   43                                       
CONECT   22    7   23   23   24                                       
CONECT   23    1   17   22   22                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27                                                 
CONECT   27   26   28   44   45                                       
CONECT   28   27   46   47   48                                       
CONECT   29    2                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   27                                                      
CONECT   45   27                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
