COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.526  -0.196   0.033  1.00  0.00           C  
HETATM    2  C   UNL     1       5.885   1.079   0.530  1.00  0.00           C  
HETATM    3  N   UNL     1       4.987   1.791   1.211  1.00  0.00           N  
HETATM    4  C   UNL     1       3.780   1.299   1.410  1.00  0.00           C  
HETATM    5  C   UNL     1       3.434   0.045   0.919  1.00  0.00           C  
HETATM    6  N   UNL     1       4.308  -0.674   0.243  1.00  0.00           N  
HETATM    7  C   UNL     1       2.048  -0.496   1.160  1.00  0.00           C  
HETATM    8  C   UNL     1       6.543  -0.961  -0.710  1.00  0.00           C  
HETATM    9  N   UNL     1       7.128   1.544   0.305  1.00  0.00           N  
HETATM   10  N   UNL     1       7.759  -0.390  -0.874  1.00  0.00           N  
HETATM   11  C   UNL     1       8.014   0.848  -0.363  1.00  0.00           C  
HETATM   12  O   UNL     1       6.298  -2.066  -1.158  1.00  0.00           O  
HETATM   13  N   UNL     1       9.259   1.388  -0.553  1.00  0.00           N  
HETATM   14  N   UNL     1       1.197  -0.194   0.006  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.139  -0.599  -0.001  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.947  -0.313  -1.094  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.268  -0.715  -1.099  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.787  -1.401  -0.016  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.986  -1.688   1.074  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.662  -1.293   1.082  1.00  0.00           C  
HETATM   21  S   UNL     1      -4.475  -1.906  -0.023  1.00  0.00           S  
HETATM   22  N   UNL     1      -5.359  -0.673   0.640  1.00  0.00           N  
HETATM   23  C   UNL     1      -5.431   0.549  -0.002  1.00  0.00           C  
HETATM   24  O   UNL     1      -4.864  -1.990  -1.387  1.00  0.00           O  
HETATM   25  O   UNL     1      -4.571  -2.999   0.880  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.109   1.659   0.418  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.857   2.612  -0.588  1.00  0.00           C  
HETATM   28  N   UNL     1      -5.096   2.027  -1.470  1.00  0.00           N  
HETATM   29  O   UNL     1      -4.843   0.886  -1.162  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.936   1.824   1.668  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.367   4.029  -0.635  1.00  0.00           C  
HETATM   32  H   UNL     1       3.053   1.876   1.962  1.00  0.00           H  
HETATM   33  H   UNL     1       2.099  -1.576   1.301  1.00  0.00           H  
HETATM   34  H   UNL     1       1.628  -0.033   2.053  1.00  0.00           H  
HETATM   35  H   UNL     1       8.453  -0.865  -1.357  1.00  0.00           H  
HETATM   36  H   UNL     1       9.934   0.891  -1.041  1.00  0.00           H  
HETATM   37  H   UNL     1       9.466   2.268  -0.200  1.00  0.00           H  
HETATM   38  H   UNL     1       1.563   0.288  -0.752  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.543   0.224  -1.940  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.897  -0.492  -1.948  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.394  -2.225   1.917  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.037  -1.518   1.934  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.825  -0.807   1.480  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.301   2.181   2.479  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.731   2.546   1.484  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.373   0.864   1.944  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.656   4.688  -0.137  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.484   4.339  -1.674  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.331   4.085  -0.129  1.00  0.00           H  
CONECT    1    8    6    6    2                                       
CONECT    2    1    9    3    3                                       
CONECT    3    2    2    4                                            
CONECT    4    5    5    3   32                                       
CONECT    5    6    7    4    4                                       
CONECT    6    1    1    5                                            
CONECT    7    5   14   33   34                                       
CONECT    8   12   12   10    1                                       
CONECT    9   11   11    2                                            
CONECT   10    8   11   35                                            
CONECT   11   10   13    9    9                                       
CONECT   12    8    8                                                 
CONECT   13   11   36   37                                            
CONECT   14   15    7   38                                            
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   39                                       
CONECT   17   18   16   16   40                                       
CONECT   18   21   19   19   17                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   15   15   42                                       
CONECT   21   24   24   25   25                                       
CONECT   21   18   22                                                 
CONECT   22   21   23   43                                            
CONECT   23   22   29   26   26                                       
CONECT   24   21   21                                                 
CONECT   25   21   21                                                 
CONECT   26   23   23   30   27                                       
CONECT   27   26   28   28   31                                       
CONECT   28   29   27   27                                            
CONECT   29   23   28                                                 
CONECT   30   26   44   45   46                                       
CONECT   31   27   47   48   49                                       
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35   10                                                      
CONECT   36   13                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   30                                                      
CONECT   45   30                                                      
CONECT   46   30                                                      
CONECT   47   31                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
