COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.480  -1.427  -0.652  1.00  0.00           C  
HETATM    2  C   UNL     1       4.785  -0.295   0.082  1.00  0.00           C  
HETATM    3  C   UNL     1       3.781   0.412   0.718  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.054   0.683  -0.160  1.00  0.00           N  
HETATM    5  C   UNL     1       2.469  -0.011   0.622  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.518   0.447  -0.107  1.00  0.00           C  
HETATM    7  N   UNL     1       0.833  -1.577  -0.214  1.00  0.00           N  
HETATM    8  C   UNL     1      -5.714  -0.460   0.009  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.338   0.629  -0.584  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.704   0.789  -0.466  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.452  -0.134   0.242  1.00  0.00           C  
HETATM   12  N   UNL     1       6.730   1.288  -1.051  1.00  0.00           N  
HETATM   13  C   UNL     1      -7.834  -1.220   0.834  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.467  -1.386   0.720  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.483  -0.938  -0.165  1.00  0.00           N  
HETATM   16  N   UNL     1      -1.472   2.621  -0.103  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.234   1.263  -0.131  1.00  0.00           C  
HETATM   18  O   UNL     1       6.539   1.023   1.395  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.205  -0.647  -0.181  1.00  0.00           C  
HETATM   20  C   UNL     1       2.159  -1.147  -0.115  1.00  0.00           C  
HETATM   21  C   UNL     1       3.170  -1.852  -0.757  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.180   0.281  -0.132  1.00  0.00           N  
HETATM   23  N   UNL     1      -4.330  -0.628  -0.113  1.00  0.00           N  
HETATM   24  O   UNL     1       7.268  -0.895  -0.033  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.991   1.566  -0.080  1.00  0.00           O  
HETATM   26  S   UNL     1       6.457   0.247   0.207  1.00  0.00           S  
HETATM   27  H   UNL     1       5.266  -1.977  -1.147  1.00  0.00           H  
HETATM   28  H   UNL     1       4.023   1.295   1.290  1.00  0.00           H  
HETATM   29  H   UNL     1       1.686   0.542   1.119  1.00  0.00           H  
HETATM   30  H   UNL     1       0.636  -2.522  -0.306  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.754   1.351  -1.137  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.190   1.637  -0.928  1.00  0.00           H  
HETATM   33  H   UNL     1      -9.520  -0.006   0.333  1.00  0.00           H  
HETATM   34  H   UNL     1       7.373   2.007  -0.955  1.00  0.00           H  
HETATM   35  H   UNL     1       6.247   1.178  -1.885  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.420  -1.939   1.387  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.985  -2.235   1.182  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.729   3.244  -0.105  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.383   2.954  -0.083  1.00  0.00           H  
HETATM   40  H   UNL     1       2.932  -2.733  -1.334  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.956  -1.519  -0.201  1.00  0.00           H  
CONECT    1   21    2    2   27                                       
CONECT    2    1    1    3   26                                       
CONECT    3    5    5    2   28                                       
CONECT    4   17   17   19                                            
CONECT    5   20    3    3   29                                       
CONECT    6   25   25   22   23                                       
CONECT    7   19   20   30                                            
CONECT    8    9   23   14   14                                       
CONECT    9   10   10    8   31                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   13   13   33                                       
CONECT   12   26   34   35                                            
CONECT   13   11   11   14   36                                       
CONECT   14    8    8   13   37                                       
CONECT   15   19   19   22                                            
CONECT   16   17   38   39                                            
CONECT   17   16    4    4   22                                       
CONECT   18   26   26                                                 
CONECT   19    4    7   15   15                                       
CONECT   20    7   21   21    5                                       
CONECT   21   20   20    1   40                                       
CONECT   22   17    6   15                                            
CONECT   23    6    8   41                                            
CONECT   24   26   26                                                 
CONECT   25    6    6                                                 
CONECT   26   24   24    2   18                                       
CONECT   26   18   12                                                 
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
CONECT   39   16                                                      
CONECT   40   21                                                      
CONECT   41   23                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
