COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.673   0.292   1.148  1.00  0.00           O  
HETATM    2  C   UNL     1       3.386  -0.081   0.026  1.00  0.00           C  
HETATM    3  N   UNL     1       4.357  -0.465  -0.826  1.00  0.00           N  
HETATM    4  C   UNL     1       5.709  -0.340  -0.454  1.00  0.00           C  
HETATM    5  C   UNL     1       6.139  -0.466   0.860  1.00  0.00           C  
HETATM    6  C   UNL     1       7.452  -0.321   1.038  1.00  0.00           C  
HETATM    7  S   UNL     1       8.229  -0.007  -0.509  1.00  0.00           S  
HETATM    8  C   UNL     1       6.682  -0.098  -1.340  1.00  0.00           C  
HETATM    9  N   UNL     1       2.096  -0.115  -0.362  1.00  0.00           N  
HETATM   10  C   UNL     1       1.040   0.296   0.566  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.322   0.164  -0.119  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.425   0.593   0.850  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.732   0.466   0.192  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.817   0.871   1.095  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.140   0.727   0.387  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.834  -0.463   0.460  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.058  -0.595  -0.196  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.784  -1.828  -0.124  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.378  -2.838  -0.066  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.573   0.479  -0.923  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.869   1.665  -0.988  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.658   1.790  -0.330  1.00  0.00           C  
HETATM   23  H   UNL     1       4.124  -0.826  -1.695  1.00  0.00           H  
HETATM   24  H   UNL     1       5.460  -0.666   1.676  1.00  0.00           H  
HETATM   25  H   UNL     1       7.962  -0.385   1.988  1.00  0.00           H  
HETATM   26  H   UNL     1       6.538   0.024  -2.404  1.00  0.00           H  
HETATM   27  H   UNL     1       1.867  -0.412  -1.257  1.00  0.00           H  
HETATM   28  H   UNL     1       1.065  -0.340   1.450  1.00  0.00           H  
HETATM   29  H   UNL     1       1.199   1.334   0.860  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.347   0.800  -1.004  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.481  -0.874  -0.414  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.399  -0.043   1.734  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.266   1.631   1.144  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.875  -0.473  -0.148  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.809   0.236   1.981  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.675   1.910   1.391  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.430  -1.292   1.023  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.910  -3.742  -0.013  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.520   0.384  -1.433  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.266   2.497  -1.549  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.111   2.720  -0.384  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    9    1    1    3                                       
CONECT    3    2    4   23                                            
CONECT    4    3    8    8    5                                       
CONECT    5    4    6    6   24                                       
CONECT    6    5    5    7   25                                       
CONECT    7    8    6                                                 
CONECT    8    4    4    7   26                                       
CONECT    9   10    2   27                                            
CONECT   10   11    9   28   29                                       
CONECT   11   12   10   30   31                                       
CONECT   12   13   11   32   33                                       
CONECT   13   14   12   34                                            
CONECT   14   15   13   35   36                                       
CONECT   15   14   22   16   16                                       
CONECT   16   15   15   17   37                                       
CONECT   17   20   20   16   18                                       
CONECT   18   17   19   19   19                                       
CONECT   19   18   18   18   38                                       
CONECT   20   21   17   17   39                                       
CONECT   21   22   22   20   40                                       
CONECT   22   21   21   15   41                                       
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   16                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
