COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -4.448  -0.291   0.416  1.00  0.00           S  
HETATM    2  N   UNL     1      -3.229  -1.188  -0.256  1.00  0.00           N  
HETATM    3  C   UNL     1       1.577  -0.908   0.304  1.00  0.00           C  
HETATM    4  N   UNL     1       2.679  -1.331   0.954  1.00  0.00           N  
HETATM    5  N   UNL     1       3.978   0.331  -0.091  1.00  0.00           N  
HETATM    6  C   UNL     1       6.323   0.390   0.276  1.00  0.00           C  
HETATM    7  C   UNL     1       3.911  -0.724   0.705  1.00  0.00           C  
HETATM    8  C   UNL     1       5.156   0.905  -0.324  1.00  0.00           C  
HETATM    9  N   UNL     1       6.238  -0.668   1.072  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.039  -1.542   0.530  1.00  0.00           C  
HETATM   11  N   UNL     1       7.373   1.175  -0.141  1.00  0.00           N  
HETATM   12  C   UNL     1       5.587   2.050  -1.127  1.00  0.00           C  
HETATM   13  N   UNL     1       0.408  -1.559   0.466  1.00  0.00           N  
HETATM   14  O   UNL     1      -5.604  -0.660  -0.324  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.353  -0.558   1.809  1.00  0.00           O  
HETATM   16  C   UNL     1       6.918   2.157  -0.975  1.00  0.00           C  
HETATM   17  O   UNL     1       1.637   0.061  -0.428  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.791  -1.099  -0.240  1.00  0.00           C  
HETATM   19  C   UNL     1       5.068  -1.231   1.298  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.990   1.429   0.066  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.320  -1.650  -1.648  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.060  -1.207  -2.398  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.820  -1.707  -1.645  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.052   2.367   0.644  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.605   3.819   0.459  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.379   2.146  -0.084  1.00  0.00           C  
HETATM   27  H   UNL     1       2.616  -2.056   1.594  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.073  -1.034   1.493  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.012  -2.620   0.686  1.00  0.00           H  
HETATM   30  H   UNL     1       8.300   1.050   0.118  1.00  0.00           H  
HETATM   31  H   UNL     1       4.955   2.687  -1.728  1.00  0.00           H  
HETATM   32  H   UNL     1       0.360  -2.331   1.051  1.00  0.00           H  
HETATM   33  H   UNL     1       7.536   2.909  -1.443  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.775  -0.012  -0.314  1.00  0.00           H  
HETATM   35  H   UNL     1       5.004  -2.092   1.947  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.025   1.648   0.522  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.924   1.575  -1.012  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.394  -2.738  -1.667  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.201  -1.216  -2.120  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.070  -1.625  -3.405  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.035  -0.119  -2.456  1.00  0.00           H  
HETATM   42  H   UNL     1       0.078  -1.414  -2.189  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.858  -2.793  -1.564  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.181   2.159   1.706  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.476   4.027  -0.603  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.361   4.487   0.871  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.659   3.977   0.977  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.250   2.353  -1.146  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.698   1.112   0.048  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.135   2.814   0.328  1.00  0.00           H  
CONECT    1   20    2   14   14                                       
CONECT    1   15   15                                                 
CONECT    2   21    1   10                                            
CONECT    3   13   17   17    4                                       
CONECT    4    3    7   27                                            
CONECT    5    8    8    7                                            
CONECT    6    8   11    9    9                                       
CONECT    7    5    4   19   19                                       
CONECT    8   12    5    5    6                                       
CONECT    9    6    6   19                                            
CONECT   10    2   18   28   29                                       
CONECT   11   16    6   30                                            
CONECT   12   16   16    8   31                                       
CONECT   13   18    3   32                                            
CONECT   14    1    1                                                 
CONECT   15    1    1                                                 
CONECT   16   12   12   11   33                                       
CONECT   17    3    3                                                 
CONECT   18   23   10   13   34                                       
CONECT   19    7    7    9   35                                       
CONECT   20   24    1   36   37                                       
CONECT   21   22    2   38   39                                       
CONECT   22   21   23   40   41                                       
CONECT   23   22   18   42   43                                       
CONECT   24   26   20   25   44                                       
CONECT   25   24   45   46   47                                       
CONECT   26   24   48   49   50                                       
CONECT   27    4                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   13                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   22                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
