COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -5.131   0.060  -1.188  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.015   0.009  -0.697  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.192   1.226  -0.534  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.920   1.099   0.038  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.125   2.241   0.200  1.00  0.00           C  
HETATM    6  C   UNL     1       0.225   2.130   0.803  1.00  0.00           C  
HETATM    7  C   UNL     1       0.489   2.732   2.024  1.00  0.00           C  
HETATM    8  C   UNL     1       1.749   2.628   2.588  1.00  0.00           C  
HETATM    9  C   UNL     1       2.743   1.931   1.944  1.00  0.00           C  
HETATM   10  C   UNL     1       2.497   1.312   0.702  1.00  0.00           C  
HETATM   11  C   UNL     1       1.236   1.407   0.135  1.00  0.00           C  
HETATM   12  S   UNL     1       1.178   0.551  -1.398  1.00  0.00           S  
HETATM   13  C   UNL     1       2.857   0.047  -1.287  1.00  0.00           C  
HETATM   14  C   UNL     1       3.438   0.531  -0.123  1.00  0.00           C  
HETATM   15  C   UNL     1       4.787   0.232   0.148  1.00  0.00           C  
HETATM   16  C   UNL     1       5.524  -0.515  -0.738  1.00  0.00           C  
HETATM   17  C   UNL     1       4.945  -0.982  -1.908  1.00  0.00           C  
HETATM   18  C   UNL     1       3.621  -0.719  -2.176  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.609   3.480  -0.207  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.868   3.592  -0.770  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.661   2.476  -0.936  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.475  -0.114   0.424  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.212  -1.224   0.282  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.691  -2.420   0.705  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.040  -3.680   0.030  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.743  -4.426  -0.303  1.00  0.00           C  
HETATM   27  O   UNL     1       0.052  -4.539   0.880  1.00  0.00           O  
HETATM   28  C   UNL     1       0.470  -3.286   1.426  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.760  -2.480   1.844  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.463  -1.209  -0.257  1.00  0.00           C  
HETATM   31  H   UNL     1      -0.287   3.281   2.535  1.00  0.00           H  
HETATM   32  H   UNL     1       1.952   3.098   3.539  1.00  0.00           H  
HETATM   33  H   UNL     1       3.723   1.858   2.393  1.00  0.00           H  
HETATM   34  H   UNL     1       5.245   0.593   1.057  1.00  0.00           H  
HETATM   35  H   UNL     1       6.558  -0.739  -0.523  1.00  0.00           H  
HETATM   36  H   UNL     1       5.529  -1.568  -2.602  1.00  0.00           H  
HETATM   37  H   UNL     1       3.174  -1.089  -3.087  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.997   4.361  -0.082  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.233   4.560  -1.081  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.643   2.570  -1.377  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.657  -4.291   0.690  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.587  -3.465  -0.888  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.982  -5.422  -0.677  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.190  -3.874  -1.062  1.00  0.00           H  
HETATM   45  H   UNL     1       1.105  -3.461   2.295  1.00  0.00           H  
HETATM   46  H   UNL     1       1.028  -2.729   0.673  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.460  -1.472   2.128  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.250  -2.969   2.686  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.024  -2.127  -0.354  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   30    1    1    3                                       
CONECT    3    2    4    4   21                                       
CONECT    4   22    3    3    5                                       
CONECT    5    4    6   19   19                                       
CONECT    6    7    5   11   11                                       
CONECT    7    8    8    6   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11   14                                       
CONECT   11    6    6   10   12                                       
CONECT   12   11   13                                                 
CONECT   13   14   12   18   18                                       
CONECT   14   10   15   15   13                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   13   13   17   37                                       
CONECT   19    5    5   20   38                                       
CONECT   20   21   21   19   39                                       
CONECT   21    3   20   20   40                                       
CONECT   22   23    4                                                 
CONECT   23   24   30   30   22                                       
CONECT   24   29   25   23                                            
CONECT   25   26   24   41   42                                       
CONECT   26   27   25   43   44                                       
CONECT   27   28   26                                                 
CONECT   28   27   29   45   46                                       
CONECT   29   28   24   47   48                                       
CONECT   30   23   23    2   49                                       
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   26                                                      
CONECT   44   26                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
