COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.147  -1.283  -0.166  1.00  0.00           C  
HETATM    2  C   UNL     1       0.856   2.073  -0.558  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.309   0.949  -1.941  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.521   0.293   0.664  1.00  0.00           N  
HETATM    5  C   UNL     1       2.903   0.830   0.445  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.077  -1.599  -0.898  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.395   0.780   0.164  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.585   0.125  -0.105  1.00  0.00           C  
HETATM    9  O   UNL     1       3.011   1.258   1.574  1.00  0.00           O  
HETATM   10  N   UNL     1       3.997   0.422  -0.229  1.00  0.00           N  
HETATM   11  C   UNL     1       5.316   0.496   0.403  1.00  0.00           C  
HETATM   12  C   UNL     1       6.377  -0.024  -0.569  1.00  0.00           C  
HETATM   13  C   UNL     1       7.842   0.080  -0.139  1.00  0.00           C  
HETATM   14  C   UNL     1       8.879   0.366  -1.227  1.00  0.00           C  
HETATM   15  C   UNL     1       1.545   0.754  -0.205  1.00  0.00           C  
HETATM   16  C   UNL     1       0.343   1.232   0.612  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.981   0.489   0.421  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.933  -0.339  -0.761  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.362  -0.258   1.706  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.732  -1.635   1.794  1.00  0.00           C  
HETATM   21  S   UNL     1      -1.375  -2.679   0.460  1.00  0.00           S  
HETATM   22  N   UNL     1      -1.003  -2.137  -2.163  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.151   1.494   0.257  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.302   0.943   0.997  1.00  0.00           N  
HETATM   25  C   UNL     1      -2.898  -0.347   1.602  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.287   1.103  -1.116  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.505   0.448  -1.450  1.00  0.00           C  
HETATM   28  H   UNL     1       6.899  -1.741   0.791  1.00  0.00           H  
HETATM   29  H   UNL     1       7.429  -1.976  -0.959  1.00  0.00           H  
HETATM   30  H   UNL     1       1.385   2.997  -0.321  1.00  0.00           H  
HETATM   31  H   UNL     1       0.250   2.099  -1.464  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.215   1.215  -2.983  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.500  -0.273   0.308  1.00  0.00           H  
HETATM   34  H   UNL     1       3.910   0.079  -1.132  1.00  0.00           H  
HETATM   35  H   UNL     1       5.537   1.532   0.662  1.00  0.00           H  
HETATM   36  H   UNL     1       5.321  -0.113   1.307  1.00  0.00           H  
HETATM   37  H   UNL     1       6.152   0.111  -1.627  1.00  0.00           H  
HETATM   38  H   UNL     1       8.050   0.519   0.837  1.00  0.00           H  
HETATM   39  H   UNL     1       8.651   1.319  -1.704  1.00  0.00           H  
HETATM   40  H   UNL     1       9.872   0.412  -0.779  1.00  0.00           H  
HETATM   41  H   UNL     1       8.854  -0.429  -1.971  1.00  0.00           H  
HETATM   42  H   UNL     1       1.393  -0.090  -0.878  1.00  0.00           H  
HETATM   43  H   UNL     1       0.534   1.601   1.619  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.084   0.337   2.576  1.00  0.00           H  
HETATM   45  H   UNL     1       0.350  -1.546   1.696  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.974  -2.084   2.757  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.114  -3.092  -2.291  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.840  -1.560  -2.926  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.870   2.461   0.673  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.402   1.602  -0.798  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.189  -1.178   0.959  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.341  -0.459   2.592  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.355   0.313  -2.102  1.00  0.00           H  
CONECT    1   13   12   28   29                                       
CONECT    2   15   16   30   31                                       
CONECT    3   27   27   26   32                                       
CONECT    4    8    8    7                                            
CONECT    5   15   10    9    9                                       
CONECT    6   22   21   18   18                                       
CONECT    7   26   26    4   24                                       
CONECT    8   27    4    4   33                                       
CONECT    9    5    5                                                 
CONECT   10    5   11   34                                            
CONECT   11   12   10   35   36                                       
CONECT   12   13    1   11   37                                       
CONECT   13   14   12    1   38                                       
CONECT   14   13   39   40   41                                       
CONECT   15    2   16    5   42                                       
CONECT   16   17   15    2   43                                       
CONECT   17   18   23   19   16                                       
CONECT   18    6    6   17                                            
CONECT   19   17   20   25   44                                       
CONECT   20   21   19   45   46                                       
CONECT   21    6   20                                                 
CONECT   22    6   47   48                                            
CONECT   23   17   24   49   50                                       
CONECT   24    7   25   23                                            
CONECT   25   24   19   51   52                                       
CONECT   26    3    7    7                                            
CONECT   27    3    3    8   53                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
