COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.204   1.675   4.118  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.268   1.065   4.606  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.909   1.072   5.901  1.00  0.00           N  
HETATM    4  C   UNL     1       0.202   0.269   6.123  1.00  0.00           C  
HETATM    5  C   UNL     1       0.915  -0.024   7.281  1.00  0.00           C  
HETATM    6  C   UNL     1       2.004  -0.869   7.227  1.00  0.00           C  
HETATM    7  C   UNL     1       2.400  -1.434   6.025  1.00  0.00           C  
HETATM    8  C   UNL     1       1.704  -1.153   4.867  1.00  0.00           C  
HETATM    9  C   UNL     1       0.605  -0.303   4.911  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.340   0.188   3.882  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.345  -0.107   2.549  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.293   0.434   1.736  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.298   0.131   0.371  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.265   0.683  -0.460  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.267   0.382  -1.807  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.309  -0.467  -2.329  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.346  -1.018  -1.504  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.334  -0.717  -0.156  1.00  0.00           C  
HETATM   19  S   UNL     1      -1.316  -0.850  -4.049  1.00  0.00           S  
HETATM   20  O   UNL     1      -0.620  -2.082  -4.174  1.00  0.00           O  
HETATM   21  O   UNL     1      -2.644  -0.607  -4.493  1.00  0.00           O  
HETATM   22  N   UNL     1      -0.373   0.278  -4.811  1.00  0.00           N  
HETATM   23  C   UNL     1       0.963   0.407  -4.471  1.00  0.00           C  
HETATM   24  S   UNL     1       2.151   1.499  -5.112  1.00  0.00           S  
HETATM   25  C   UNL     1       3.529   0.959  -4.110  1.00  0.00           C  
HETATM   26  C   UNL     1       2.940  -0.013  -3.375  1.00  0.00           C  
HETATM   27  N   UNL     1       1.659  -0.263  -3.573  1.00  0.00           N  
HETATM   28  H   UNL     1      -1.368   1.574   6.592  1.00  0.00           H  
HETATM   29  H   UNL     1       0.616   0.410   8.223  1.00  0.00           H  
HETATM   30  H   UNL     1       2.553  -1.093   8.129  1.00  0.00           H  
HETATM   31  H   UNL     1       3.254  -2.094   5.995  1.00  0.00           H  
HETATM   32  H   UNL     1       2.013  -1.592   3.929  1.00  0.00           H  
HETATM   33  H   UNL     1       0.402  -0.770   2.141  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.964   1.030   2.103  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.013   1.347  -0.053  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.018   0.810  -2.454  1.00  0.00           H  
HETATM   37  H   UNL     1       0.400  -1.682  -1.915  1.00  0.00           H  
HETATM   38  H   UNL     1       0.418  -1.147   0.487  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.757   0.848  -5.495  1.00  0.00           H  
HETATM   40  H   UNL     1       4.550   1.311  -4.095  1.00  0.00           H  
HETATM   41  H   UNL     1       3.504  -0.569  -2.642  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   10                                       
CONECT    3    2    4   28                                            
CONECT    4    3    5    5    9                                       
CONECT    5    4    4    6   29                                       
CONECT    6    5    7    7   30                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9    9   32                                       
CONECT    9    4    8    8   10                                       
CONECT   10    2    9   11   11                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   34                                            
CONECT   13   12   14   14   18                                       
CONECT   14   13   13   15   35                                       
CONECT   15   14   16   16   36                                       
CONECT   16   15   15   17   19                                       
CONECT   17   16   18   18   37                                       
CONECT   18   13   17   17   38                                       
CONECT   19   16   20   20   21                                       
CONECT   19   21   22                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22   19   23   39                                            
CONECT   23   22   24   27   27                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   40                                       
CONECT   26   25   25   27   41                                       
CONECT   27   23   23   26                                            
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
