COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.616  -1.128  -1.175  1.00  0.00           O  
HETATM    2  C   UNL     1       3.843  -0.461  -0.511  1.00  0.00           C  
HETATM    3  N   UNL     1       4.308   0.542   0.259  1.00  0.00           N  
HETATM    4  C   UNL     1       5.744   0.831   0.297  1.00  0.00           C  
HETATM    5  C   UNL     1       6.169   2.253   0.670  1.00  0.00           C  
HETATM    6  C   UNL     1       6.373   1.107   1.664  1.00  0.00           C  
HETATM    7  C   UNL     1       2.410  -0.746  -0.553  1.00  0.00           C  
HETATM    8  C   UNL     1       1.818  -1.730  -1.298  1.00  0.00           C  
HETATM    9  C   UNL     1       0.456  -1.780  -1.151  1.00  0.00           C  
HETATM   10  S   UNL     1       1.172   0.117   0.350  1.00  0.00           S  
HETATM   11  C   UNL     1      -0.060  -0.861  -0.310  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.414  -0.732  -0.015  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.192  -1.646   0.630  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.713  -2.978   1.146  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.221   0.351  -0.318  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.005   1.566  -0.952  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.044   2.463  -1.105  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.308   2.165  -0.631  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.552   0.952   0.009  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.498   0.029   0.171  1.00  0.00           C  
HETATM   21  N   UNL     1      -3.411  -1.198   0.735  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.862   0.645   0.500  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.901   0.401   0.888  1.00  0.00           N  
HETATM   24  H   UNL     1       3.693   1.073   0.789  1.00  0.00           H  
HETATM   25  H   UNL     1       6.350   0.302  -0.438  1.00  0.00           H  
HETATM   26  H   UNL     1       7.054   2.658   0.181  1.00  0.00           H  
HETATM   27  H   UNL     1       5.380   2.973   0.888  1.00  0.00           H  
HETATM   28  H   UNL     1       5.719   1.074   2.535  1.00  0.00           H  
HETATM   29  H   UNL     1       7.393   0.760   1.829  1.00  0.00           H  
HETATM   30  H   UNL     1       2.371  -2.403  -1.937  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.158  -2.500  -1.671  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.360  -2.865   2.171  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.534  -3.694   1.121  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.897  -3.339   0.519  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.022   1.811  -1.326  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.867   3.407  -1.599  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.111   2.877  -0.757  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    7                                       
CONECT    3    2    4   24                                            
CONECT    4    3    5    6   25                                       
CONECT    5    4    6   26   27                                       
CONECT    6    4    5   28   29                                       
CONECT    7    2    8    8   10                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   11   11   31                                       
CONECT   10    7   11                                                 
CONECT   11    9    9   10   12                                       
CONECT   12   11   13   15                                            
CONECT   13   12   14   21   21                                       
CONECT   14   13   32   33   34                                       
CONECT   15   12   16   20   20                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17   19   19   37                                       
CONECT   19   18   18   20   22                                       
CONECT   20   15   15   19   21                                       
CONECT   21   13   13   20                                            
CONECT   22   19   23   23   23                                       
CONECT   23   22   22   22                                            
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    5                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
MASTER        0    0    0    0    0    0    0    0   37    0   37    0
END
