COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.380  -2.488   1.185  1.00  0.00           N  
HETATM    2  O   UNL     1       0.026   1.113  -0.590  1.00  0.00           O  
HETATM    3  O   UNL     1       1.165  -0.659   0.110  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.142  -2.107   0.073  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.893  -3.007  -0.559  1.00  0.00           C  
HETATM    6  S   UNL     1      -1.928  -4.676   0.003  1.00  0.00           S  
HETATM    7  O   UNL     1       6.770   1.930   1.066  1.00  0.00           O  
HETATM    8  O   UNL     1       7.296   1.444  -1.024  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.280   3.075   0.995  1.00  0.00           O  
HETATM   10  N   UNL     1      -1.115  -0.780  -0.373  1.00  0.00           N  
HETATM   11  O   UNL     1      -6.654   2.356  -0.999  1.00  0.00           O  
HETATM   12  C   UNL     1       0.026  -0.066  -0.295  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.326  -0.167  -0.924  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.120   0.497   0.202  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.385   1.137  -0.374  1.00  0.00           C  
HETATM   16  C   UNL     1       4.537   0.526   1.333  1.00  0.00           C  
HETATM   17  C   UNL     1       3.283  -0.348   1.270  1.00  0.00           C  
HETATM   18  C   UNL     1       2.355   0.170   0.170  1.00  0.00           C  
HETATM   19  C   UNL     1       3.081   0.119  -1.176  1.00  0.00           C  
HETATM   20  C   UNL     1       4.335   0.994  -1.113  1.00  0.00           C  
HETATM   21  C   UNL     1       5.263   0.475  -0.013  1.00  0.00           C  
HETATM   22  C   UNL     1       6.498   1.336   0.049  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.179   1.801   0.752  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.425   2.431   0.185  1.00  0.00           C  
HETATM   25  H   UNL     1       0.220  -1.851   1.603  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.456  -3.387   1.539  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.481  -2.713  -1.416  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.772  -5.268  -0.860  1.00  0.00           H  
HETATM   29  H   UNL     1       8.077   2.007  -0.937  1.00  0.00           H  
HETATM   30  H   UNL     1      -8.065   3.463   0.585  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.049   0.583  -1.665  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.939  -0.935  -1.397  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.397  -0.253   0.943  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.507   1.265   0.674  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.108   1.887  -1.115  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.997   0.369  -0.846  1.00  0.00           H  
HETATM   37  H   UNL     1       4.252   1.555   1.554  1.00  0.00           H  
HETATM   38  H   UNL     1       5.199   0.156   2.117  1.00  0.00           H  
HETATM   39  H   UNL     1       3.569  -1.377   1.050  1.00  0.00           H  
HETATM   40  H   UNL     1       2.766  -0.312   2.229  1.00  0.00           H  
HETATM   41  H   UNL     1       2.070   1.199   0.390  1.00  0.00           H  
HETATM   42  H   UNL     1       3.366  -0.910  -1.396  1.00  0.00           H  
HETATM   43  H   UNL     1       2.419   0.489  -1.959  1.00  0.00           H  
HETATM   44  H   UNL     1       4.852   0.957  -2.072  1.00  0.00           H  
HETATM   45  H   UNL     1       4.050   2.022  -0.892  1.00  0.00           H  
HETATM   46  H   UNL     1       5.548  -0.554  -0.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.456   1.051   1.493  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.566   2.569   1.225  1.00  0.00           H  
CONECT    1    4   25   26                                            
CONECT    2   12   12                                                 
CONECT    3   18   12                                                 
CONECT    4    1   10    5    5                                       
CONECT    5    4    4    6   27                                       
CONECT    6    5   28                                                 
CONECT    7   22   22                                                 
CONECT    8   22   29                                                 
CONECT    9   24   30                                                 
CONECT   10    4   13   12                                            
CONECT   11   24   24                                                 
CONECT   12   10    2    2    3                                       
CONECT   13   10   14   31   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   14   23   35   36                                       
CONECT   16   21   17   37   38                                       
CONECT   17   16   18   39   40                                       
CONECT   18    3   17   19   41                                       
CONECT   19   18   20   42   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   16   20   22   46                                       
CONECT   22   21    7    7    8                                       
CONECT   23   15   24   47   48                                       
CONECT   24   11   11    9   23                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
