COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.005   0.660   0.884  1.00  0.00           C  
HETATM    2  N   UNL     1       6.286  -0.498   0.347  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.970   2.482  -2.177  1.00  0.00           O  
HETATM    4  S   UNL     1       3.714   0.523   0.684  1.00  0.00           S  
HETATM    5  C   UNL     1       4.946  -0.649   0.224  1.00  0.00           C  
HETATM    6  N   UNL     1       4.738  -1.836  -0.304  1.00  0.00           N  
HETATM    7  O   UNL     1      -2.082  -0.144  -0.323  1.00  0.00           O  
HETATM    8  S   UNL     1      -3.351  -2.626  -0.096  1.00  0.00           S  
HETATM    9  C   UNL     1       2.222  -0.391   0.222  1.00  0.00           C  
HETATM   10  N   UNL     1       5.853  -2.435  -0.520  1.00  0.00           N  
HETATM   11  O   UNL     1      -3.218   3.724   0.365  1.00  0.00           O  
HETATM   12  S   UNL     1      -1.156   0.947   2.160  1.00  0.00           S  
HETATM   13  C   UNL     1       1.006   0.442   0.534  1.00  0.00           C  
HETATM   14  N   UNL     1       6.840  -1.688  -0.158  1.00  0.00           N  
HETATM   15  O   UNL     1       0.694  -0.121  -2.629  1.00  0.00           O  
HETATM   16  C   UNL     1       0.436   1.046  -0.497  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.731   1.809  -0.318  1.00  0.00           N  
HETATM   18  O   UNL     1       1.820   1.752  -2.236  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.276   2.321   0.965  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.523   1.331   0.498  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.601   2.440   0.242  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.771  -6.230  -0.387  1.00  0.00           N  
HETATM   23  C   UNL     1      -1.769   2.273  -1.000  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.166   0.071   0.177  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.114  -1.070   0.440  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.622  -3.860   0.295  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.142  -5.198  -0.090  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.519   3.801  -0.221  1.00  0.00           C  
HETATM   29  C   UNL     1       0.591   0.483   1.969  1.00  0.00           C  
HETATM   30  C   UNL     1       1.029   0.919  -1.840  1.00  0.00           C  
HETATM   31  H   UNL     1       7.144   0.535   1.958  1.00  0.00           H  
HETATM   32  H   UNL     1       7.978   0.740   0.399  1.00  0.00           H  
HETATM   33  H   UNL     1       6.429   1.565   0.694  1.00  0.00           H  
HETATM   34  H   UNL     1       2.247  -0.611  -0.846  1.00  0.00           H  
HETATM   35  H   UNL     1       2.178  -1.324   0.784  1.00  0.00           H  
HETATM   36  H   UNL     1       1.109  -0.162  -3.502  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.841   3.256   1.317  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.390   1.503   0.898  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.039  -0.910  -0.114  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.334  -1.122   1.506  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.829  -3.842   1.365  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.534  -3.629  -0.256  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.919   4.806  -0.086  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.452   3.578  -1.286  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.179   3.080   0.261  1.00  0.00           H  
HETATM   46  H   UNL     1       1.211   1.209   2.496  1.00  0.00           H  
HETATM   47  H   UNL     1       0.747  -0.501   2.411  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    5   14                                            
CONECT    3   23   23                                                 
CONECT    4    9    5                                                 
CONECT    5    2    4    6    6                                       
CONECT    6    5    5   10                                            
CONECT    7   24   24                                                 
CONECT    8   26   25                                                 
CONECT    9    4   13   34   35                                       
CONECT   10    6   14   14                                            
CONECT   11   21   28                                                 
CONECT   12   29   19                                                 
CONECT   13    9   16   16   29                                       
CONECT   14    2   10   10                                            
CONECT   15   30   36                                                 
CONECT   16   13   13   30   17                                       
CONECT   17   16   23   19                                            
CONECT   18   30   30                                                 
CONECT   19   12   17   21   37                                       
CONECT   20   24   21   38                                            
CONECT   21   11   19   20   23                                       
CONECT   22   27   27   27                                            
CONECT   23    3    3   17   21                                       
CONECT   24    7    7   20   25                                       
CONECT   25    8   24   39   40                                       
CONECT   26    8   27   41   42                                       
CONECT   27   22   22   22   26                                       
CONECT   28   11   43   44   45                                       
CONECT   29   12   13   46   47                                       
CONECT   30   15   16   18   18                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36   15                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   28                                                      
CONECT   44   28                                                      
CONECT   45   28                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
