COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.143   0.058  -1.527  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.352   0.195  -0.121  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.180   1.318  -0.091  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.542   1.163   0.049  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.091  -0.108   0.160  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.269  -1.228   0.130  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.906  -1.080  -0.010  1.00  0.00           C  
HETATM    8  C   UNL     1       4.743  -0.168  -1.859  1.00  0.00           C  
HETATM    9  C   UNL     1       4.498  -0.265  -0.352  1.00  0.00           C  
HETATM   10  C   UNL     1       2.996  -0.375  -0.085  1.00  0.00           C  
HETATM   11  C   UNL     1       2.282   0.839  -0.683  1.00  0.00           C  
HETATM   12  C   UNL     1       0.209   1.133   0.569  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.124   0.994   0.727  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.888   0.357  -0.277  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.243  -0.112  -1.412  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.526   0.214   0.490  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.368  -1.175   0.527  1.00  0.00           C  
HETATM   18  C   UNL     1       5.196  -1.485   0.193  1.00  0.00           C  
HETATM   19  C   UNL     1       4.636   0.958   2.184  1.00  0.00           C  
HETATM   20  N   UNL     1       0.833   0.669  -0.546  1.00  0.00           N  
HETATM   21  N   UNL     1      -7.476  -0.262   0.302  1.00  0.00           N  
HETATM   22  N   UNL     1      -8.317   0.709   0.350  1.00  0.00           N  
HETATM   23  N   UNL     1      -8.078  -1.393   0.411  1.00  0.00           N  
HETATM   24  N   UNL     1       6.534  -1.483   0.349  1.00  0.00           N  
HETATM   25  O   UNL     1       0.727  -0.354  -2.517  1.00  0.00           O  
HETATM   26  O   UNL     1       4.552  -2.469   0.490  1.00  0.00           O  
HETATM   27  O   UNL     1       7.189  -2.629   0.861  1.00  0.00           O  
HETATM   28  O   UNL     1       6.570   1.181   0.405  1.00  0.00           O  
HETATM   29  O   UNL     1       4.465   2.354  -0.047  1.00  0.00           O  
HETATM   30  S   UNL     1       5.150   1.219   0.464  1.00  0.00           S  
HETATM   31  H   UNL     1      -3.754   2.306  -0.176  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.184   2.032   0.073  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.698  -2.216   0.216  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.267  -1.951  -0.033  1.00  0.00           H  
HETATM   35  H   UNL     1       4.239   0.715  -2.253  1.00  0.00           H  
HETATM   36  H   UNL     1       5.813  -0.090  -2.049  1.00  0.00           H  
HETATM   37  H   UNL     1       4.351  -1.059  -2.349  1.00  0.00           H  
HETATM   38  H   UNL     1       2.611  -1.286  -0.544  1.00  0.00           H  
HETATM   39  H   UNL     1       2.819  -0.407   0.990  1.00  0.00           H  
HETATM   40  H   UNL     1       2.594   1.740  -0.156  1.00  0.00           H  
HETATM   41  H   UNL     1       2.539   0.928  -1.739  1.00  0.00           H  
HETATM   42  H   UNL     1       0.789   1.620   1.339  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.606   1.368   1.619  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.802  -0.602  -2.196  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.452   0.766   0.559  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.147  -1.916   0.630  1.00  0.00           H  
HETATM   47  H   UNL     1       5.078   0.034   2.559  1.00  0.00           H  
HETATM   48  H   UNL     1       4.972   1.796   2.794  1.00  0.00           H  
HETATM   49  H   UNL     1       3.550   0.886   2.231  1.00  0.00           H  
HETATM   50  H   UNL     1       7.049  -0.696   0.111  1.00  0.00           H  
HETATM   51  H   UNL     1       8.149  -2.533   0.937  1.00  0.00           H  
CONECT    1   20   25   25   15                                       
CONECT    2   14    3    3    7                                       
CONECT    3    2    2    4   31                                       
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    6   21                                       
CONECT    6    7    7    5   33                                       
CONECT    7    2    6    6   34                                       
CONECT    8    9   35   36   37                                       
CONECT    9   18    8   10   30                                       
CONECT   10   11    9   38   39                                       
CONECT   11   20   10   40   41                                       
CONECT   12   20   13   13   42                                       
CONECT   13   12   12   14   43                                       
CONECT   14   13   15   15    2                                       
CONECT   15    1   14   14   44                                       
CONECT   16   22   22   17   45                                       
CONECT   17   16   23   23   46                                       
CONECT   18   24   26   26    9                                       
CONECT   19   30   47   48   49                                       
CONECT   20   11   12    1                                            
CONECT   21    5   22   23                                            
CONECT   22   21   16   16                                            
CONECT   23   21   17   17                                            
CONECT   24   27   18   50                                            
CONECT   25    1    1                                                 
CONECT   26   18   18                                                 
CONECT   27   24   51                                                 
CONECT   28   30   30                                                 
CONECT   29   30   30                                                 
CONECT   30    9   28   28   19                                       
CONECT   30   29   29                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
