COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.566   0.671   0.532  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.747  -0.371  -0.055  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.954  -0.189  -0.682  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.253   1.016  -1.302  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.335   2.043  -1.290  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.105   1.875  -0.658  1.00  0.00           C  
HETATM    7  C   UNL     1       1.243  -2.939  -0.590  1.00  0.00           C  
HETATM    8  C   UNL     1       4.636  -1.734   0.545  1.00  0.00           C  
HETATM    9  C   UNL     1       4.280  -0.993  -1.704  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.901  -1.599   2.022  1.00  0.00           O  
HETATM   11  S   UNL     1      -2.390  -1.910   0.725  1.00  0.00           S  
HETATM   12  O   UNL     1      -3.517  -2.745   0.500  1.00  0.00           O  
HETATM   13  N   UNL     1      -1.128  -2.595  -0.099  1.00  0.00           N  
HETATM   14  C   UNL     1       0.187  -1.950  -0.094  1.00  0.00           C  
HETATM   15  C   UNL     1       2.596  -2.275  -0.585  1.00  0.00           C  
HETATM   16  C   UNL     1       3.037  -1.597  -1.706  1.00  0.00           C  
HETATM   17  C   UNL     1       5.080  -1.062  -0.578  1.00  0.00           C  
HETATM   18  C   UNL     1       3.395  -2.343   0.541  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.791   0.666  -0.030  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.739   2.972  -0.468  1.00  0.00           S  
HETATM   21  C   UNL     1       0.141   1.742   0.428  1.00  0.00           C  
HETATM   22  N   UNL     1       1.415   1.903   0.950  1.00  0.00           N  
HETATM   23  C   UNL     1       2.069   3.070   0.783  1.00  0.00           C  
HETATM   24  O   UNL     1       1.542   3.979   0.177  1.00  0.00           O  
HETATM   25  C   UNL     1       3.454   3.244   1.350  1.00  0.00           C  
HETATM   26  H   UNL     1      -4.677  -0.991  -0.695  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.205   1.149  -1.793  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.569   2.980  -1.773  1.00  0.00           H  
HETATM   29  H   UNL     1       1.263  -3.809   0.066  1.00  0.00           H  
HETATM   30  H   UNL     1       0.997  -3.255  -1.604  1.00  0.00           H  
HETATM   31  H   UNL     1       5.260  -1.787   1.425  1.00  0.00           H  
HETATM   32  H   UNL     1       4.627  -0.467  -2.581  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.259  -3.425  -0.585  1.00  0.00           H  
HETATM   34  H   UNL     1       0.433  -1.634   0.920  1.00  0.00           H  
HETATM   35  H   UNL     1       0.167  -1.080  -0.750  1.00  0.00           H  
HETATM   36  H   UNL     1       2.413  -1.544  -2.586  1.00  0.00           H  
HETATM   37  H   UNL     1       6.051  -0.590  -0.576  1.00  0.00           H  
HETATM   38  H   UNL     1       3.050  -2.872   1.417  1.00  0.00           H  
HETATM   39  H   UNL     1       1.836   1.176   1.434  1.00  0.00           H  
HETATM   40  H   UNL     1       3.818   4.245   1.117  1.00  0.00           H  
HETATM   41  H   UNL     1       3.423   3.112   2.432  1.00  0.00           H  
HETATM   42  H   UNL     1       4.122   2.503   0.912  1.00  0.00           H  
CONECT    1   21   21   19                                            
CONECT    2   19   11    3    3                                       
CONECT    3    2    2    4   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5    6    4    4   28                                       
CONECT    6   20   19   19    5                                       
CONECT    7   15   14   29   30                                       
CONECT    8   17   17   18   31                                       
CONECT    9   16   16   17   32                                       
CONECT   10   11   11                                                 
CONECT   11   13   10   10    2                                       
CONECT   11   12   12                                                 
CONECT   12   11   11                                                 
CONECT   13   14   11   33                                            
CONECT   14    7   13   34   35                                       
CONECT   15   16    7   18   18                                       
CONECT   16    9    9   15   36                                       
CONECT   17    9    8    8   37                                       
CONECT   18   15   15    8   38                                       
CONECT   19    1    6    6    2                                       
CONECT   20   21    6                                                 
CONECT   21   22   20    1    1                                       
CONECT   22   23   21   39                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   23   40   41   42                                       
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
