COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.434  -1.195  -0.022  1.00  0.00           S  
HETATM    2  C   UNL     1       0.781  -1.609   0.063  1.00  0.00           C  
HETATM    3  C   UNL     1       0.006  -0.476   0.110  1.00  0.00           C  
HETATM    4  C   UNL     1       0.742   0.711   0.078  1.00  0.00           C  
HETATM    5  C   UNL     1       2.068   0.522   0.007  1.00  0.00           C  
HETATM    6  N   UNL     1       0.291  -2.904   0.081  1.00  0.00           N  
HETATM    7  C   UNL     1       1.142  -3.948   0.030  1.00  0.00           C  
HETATM    8  N   UNL     1       0.665  -5.208   0.048  1.00  0.00           N  
HETATM    9  O   UNL     1       2.341  -3.753  -0.032  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.459  -0.510   0.187  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.042  -1.578   0.212  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.158   0.641   0.230  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.620   0.608   0.307  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.203   0.479  -1.102  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.670   0.466  -1.027  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.183   1.719  -0.459  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.659   1.886   0.970  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.128   1.903   0.948  1.00  0.00           C  
HETATM   19  C   UNL     1       3.075   1.603  -0.040  1.00  0.00           C  
HETATM   20  C   UNL     1       4.434   1.292  -0.113  1.00  0.00           C  
HETATM   21  C   UNL     1       5.369   2.306  -0.156  1.00  0.00           C  
HETATM   22  C   UNL     1       4.962   3.628  -0.126  1.00  0.00           C  
HETATM   23  C   UNL     1       3.616   3.943  -0.053  1.00  0.00           C  
HETATM   24  C   UNL     1       2.671   2.939  -0.016  1.00  0.00           C  
HETATM   25  H   UNL     1      -0.665  -3.060   0.130  1.00  0.00           H  
HETATM   26  H   UNL     1       0.286   1.689   0.107  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.291  -5.364   0.097  1.00  0.00           H  
HETATM   28  H   UNL     1       1.277  -5.959   0.011  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.692   1.492   0.211  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.933  -0.244   0.910  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.878   1.324  -1.708  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.855  -0.449  -1.555  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.750   1.978   1.967  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.782   2.757   0.366  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.076   0.287  -1.933  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.848   2.559  -1.068  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.273   1.692  -0.445  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.028   2.823   1.386  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.005   1.054   1.583  1.00  0.00           H  
HETATM   40  H   UNL     1       4.753   0.261  -0.135  1.00  0.00           H  
HETATM   41  H   UNL     1       1.621   3.186   0.036  1.00  0.00           H  
HETATM   42  H   UNL     1       6.420   2.067  -0.212  1.00  0.00           H  
HETATM   43  H   UNL     1       5.698   4.418  -0.159  1.00  0.00           H  
HETATM   44  H   UNL     1       3.306   4.977  -0.029  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4   10                                       
CONECT    4    3    5    5   26                                       
CONECT    5    1    4    4   19                                       
CONECT    6    2    7   25                                            
CONECT    7    6    8    9    9                                       
CONECT    8    7   27   28                                            
CONECT    9    7    7                                                 
CONECT   10    3   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   29                                            
CONECT   13   12   14   18   30                                       
CONECT   14   13   15   31   32                                       
CONECT   15   14   16   35                                            
CONECT   16   15   17   36   37                                       
CONECT   17   16   18   38   39                                       
CONECT   18   13   17   33   34                                       
CONECT   19    5   20   24   24                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   42                                       
CONECT   22   21   23   23   43                                       
CONECT   23   22   22   24   44                                       
CONECT   24   19   19   23   41                                       
CONECT   25    6                                                      
CONECT   26    4                                                      
CONECT   27    8                                                      
CONECT   28    8                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   20                                                      
CONECT   41   24                                                      
CONECT   42   21                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
