COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.836  -1.711   0.533  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.698  -0.445   0.145  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.969  -2.139   1.053  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.954  -0.068   0.849  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.778   0.425   0.299  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.900   2.447  -0.243  1.00  0.00           C  
HETATM    7  C   UNL     1       0.914  -0.147  -0.566  1.00  0.00           C  
HETATM    8  C   UNL     1       3.314   1.265  -0.600  1.00  0.00           C  
HETATM    9  C   UNL     1       2.027  -0.637   0.086  1.00  0.00           C  
HETATM   10  C   UNL     1       5.545   1.863   0.431  1.00  0.00           C  
HETATM   11  O   UNL     1       4.700  -1.938   0.486  1.00  0.00           O  
HETATM   12  S   UNL     1       4.588  -0.606   0.967  1.00  0.00           S  
HETATM   13  O   UNL     1       4.286  -0.340   2.330  1.00  0.00           O  
HETATM   14  C   UNL     1       5.999   0.396   0.413  1.00  0.00           C  
HETATM   15  C   UNL     1       4.561   2.092  -0.702  1.00  0.00           C  
HETATM   16  C   UNL     1       2.184   1.758  -1.250  1.00  0.00           C  
HETATM   17  C   UNL     1       0.996   1.061  -1.234  1.00  0.00           C  
HETATM   18  C   UNL     1       3.221   0.069   0.076  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.377  -0.924  -0.555  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.523  -1.689  -1.872  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.834  -2.478  -1.860  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.533  -0.700  -3.039  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.502   0.002  -0.401  1.00  0.00           N  
HETATM   24  O   UNL     1      -3.672   1.725  -0.082  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.796   2.148   0.966  1.00  0.00           C  
HETATM   26  O   UNL     1      -6.033   0.736   1.015  1.00  0.00           O  
HETATM   27  N   UNL     1      -5.010  -1.347   1.212  1.00  0.00           N  
HETATM   28  H   UNL     1      -4.048  -3.172   1.357  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.694   3.516  -0.293  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.398   2.125  -1.158  1.00  0.00           H  
HETATM   31  H   UNL     1       1.968  -1.580   0.609  1.00  0.00           H  
HETATM   32  H   UNL     1       5.062   2.083   1.383  1.00  0.00           H  
HETATM   33  H   UNL     1       6.410   2.514   0.302  1.00  0.00           H  
HETATM   34  H   UNL     1       6.286   0.108  -0.599  1.00  0.00           H  
HETATM   35  H   UNL     1       6.841   0.259   1.092  1.00  0.00           H  
HETATM   36  H   UNL     1       5.056   1.859  -1.645  1.00  0.00           H  
HETATM   37  H   UNL     1       4.280   3.145  -0.712  1.00  0.00           H  
HETATM   38  H   UNL     1       2.240   2.701  -1.774  1.00  0.00           H  
HETATM   39  H   UNL     1       0.130   1.457  -1.743  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.370  -1.629   0.276  1.00  0.00           H  
HETATM   41  H   UNL     1       0.315  -2.378  -1.986  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.938  -3.023  -2.799  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.826  -3.183  -1.029  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.671  -1.790  -1.746  1.00  0.00           H  
HETATM   45  H   UNL     1       0.401  -0.138  -3.047  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.637  -1.245  -3.977  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.370  -0.011  -2.924  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.412   0.926  -0.680  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.297   2.468   1.881  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.743   2.676   0.861  1.00  0.00           H  
CONECT    1    2    2    3                                            
CONECT    2   23    1    1    5                                       
CONECT    3    1   27   27   28                                       
CONECT    4   27    5    5   26                                       
CONECT    5    4    4    2   24                                       
CONECT    6   24   25   29   30                                       
CONECT    7   19   17   17    9                                       
CONECT    8   16   16   18   15                                       
CONECT    9   18   18    7   31                                       
CONECT   10   14   15   32   33                                       
CONECT   11   12   12                                                 
CONECT   12   18   13   13   11                                       
CONECT   12   11   14                                                 
CONECT   13   12   12                                                 
CONECT   14   12   10   34   35                                       
CONECT   15   10    8   36   37                                       
CONECT   16   17    8    8   38                                       
CONECT   17    7    7   16   39                                       
CONECT   18    8    9    9   12                                       
CONECT   19   20   23    7   40                                       
CONECT   20   22   21   19   41                                       
CONECT   21   20   42   43   44                                       
CONECT   22   20   45   46   47                                       
CONECT   23   19    2   48                                            
CONECT   24    5    6                                                 
CONECT   25    6   26   49   50                                       
CONECT   26   25    4                                                 
CONECT   27    3    3    4                                            
CONECT   28    3                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    9                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   14                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
