COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.647  -0.007   1.731  1.00  0.00           C  
HETATM    2  C   UNL     1       6.144   0.671  -0.715  1.00  0.00           C  
HETATM    3  C   UNL     1       2.855   1.825   0.114  1.00  0.00           C  
HETATM    4  C   UNL     1       1.452   1.770   0.748  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.060   2.976  -0.112  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.045   4.265  -0.468  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.919   5.279  -0.055  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.028  -5.558  -0.196  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.685  -4.207  -0.311  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.639  -3.111  -0.097  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.525  -0.644  -0.051  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.160  -0.724   0.214  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.444   0.461   0.366  1.00  0.00           C  
HETATM   14  C   UNL     1       1.199  -0.346   1.837  1.00  0.00           C  
HETATM   15  C   UNL     1       2.499  -1.043   1.822  1.00  0.00           C  
HETATM   16  C   UNL     1       7.192  -0.054  -0.410  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.383   1.660   0.000  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.428   3.030  -0.367  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.272   5.406  -0.312  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.278  -1.797  -0.209  1.00  0.00           N  
HETATM   21  N   UNL     1       0.916   0.430   0.630  1.00  0.00           N  
HETATM   22  N   UNL     1       3.639   0.611   0.423  1.00  0.00           N  
HETATM   23  N   UNL     1      -1.083   1.622   0.253  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.357   4.091   0.036  1.00  0.00           N  
HETATM   25  N   UNL     1      -3.097   0.553  -0.145  1.00  0.00           N  
HETATM   26  O   UNL     1      -1.845  -5.636   0.034  1.00  0.00           O  
HETATM   27  O   UNL     1      -3.758  -6.674  -0.349  1.00  0.00           O  
HETATM   28  O   UNL     1       3.963   0.340  -2.008  1.00  0.00           O  
HETATM   29  O   UNL     1       4.725  -1.437  -0.424  1.00  0.00           O  
HETATM   30  S   UNL     1       4.547  -0.073  -0.781  1.00  0.00           S  
HETATM   31  H   UNL     1       3.507   0.758   2.495  1.00  0.00           H  
HETATM   32  H   UNL     1       4.602  -0.508   1.890  1.00  0.00           H  
HETATM   33  H   UNL     1       6.258   1.724  -0.927  1.00  0.00           H  
HETATM   34  H   UNL     1       2.754   1.918  -0.967  1.00  0.00           H  
HETATM   35  H   UNL     1       3.385   2.697   0.497  1.00  0.00           H  
HETATM   36  H   UNL     1       1.519   2.043   1.801  1.00  0.00           H  
HETATM   37  H   UNL     1       0.794   2.470   0.233  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.105   4.339  -0.665  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.315   6.165   0.071  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.126  -4.100  -1.302  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.466  -4.117   0.445  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.199  -3.217   0.895  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.859  -3.201  -0.852  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.669  -1.682   0.301  1.00  0.00           H  
HETATM   45  H   UNL     1       0.410  -1.088   1.964  1.00  0.00           H  
HETATM   46  H   UNL     1       1.178   0.329   2.692  1.00  0.00           H  
HETATM   47  H   UNL     1       2.543  -1.710   0.961  1.00  0.00           H  
HETATM   48  H   UNL     1       2.608  -1.626   2.737  1.00  0.00           H  
HETATM   49  H   UNL     1       8.170   0.402  -0.369  1.00  0.00           H  
HETATM   50  H   UNL     1       7.077  -1.107  -0.198  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.999   2.121  -0.484  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.723   6.385  -0.385  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.229  -1.734  -0.393  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.292  -7.518  -0.266  1.00  0.00           H  
CONECT    1   22   15   31   32                                       
CONECT    2   16   16   30   33                                       
CONECT    3   22    4   34   35                                       
CONECT    4    3   21   36   37                                       
CONECT    5   24   24   18   17                                       
CONECT    6   19   18   18   38                                       
CONECT    7   19   19   24   39                                       
CONECT    8    9   26   26   27                                       
CONECT    9   10    8   40   41                                       
CONECT   10   20    9   42   43                                       
CONECT   11   25   20   12   12                                       
CONECT   12   11   11   13   44                                       
CONECT   13   23   23   12   21                                       
CONECT   14   21   15   45   46                                       
CONECT   15    1   14   47   48                                       
CONECT   16    2    2   49   50                                       
CONECT   17    5   25   25   23                                       
CONECT   18    6    6    5   51                                       
CONECT   19    7    7    6   52                                       
CONECT   20   11   10   53                                            
CONECT   21   13    4   14                                            
CONECT   22   30    3    1                                            
CONECT   23   17   13   13                                            
CONECT   24    7    5    5                                            
CONECT   25   17   17   11                                            
CONECT   26    8    8                                                 
CONECT   27    8   54                                                 
CONECT   28   30   30                                                 
CONECT   29   30   30                                                 
CONECT   30    2   28   28   22                                       
CONECT   30   29   29                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
