COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.212   1.339  -0.042  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.068   1.035   0.417  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.230   0.411   1.651  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.123   0.097   2.414  1.00  0.00           C  
HETATM    5  C   UNL     1       1.145   0.401   1.954  1.00  0.00           C  
HETATM    6  C   UNL     1       1.312   1.021   0.728  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.255   1.376  -0.407  1.00  0.00           C  
HETATM    8  S   UNL     1       2.932   1.398   0.146  1.00  0.00           S  
HETATM    9  O   UNL     1       2.774   1.939  -1.158  1.00  0.00           O  
HETATM   10  O   UNL     1       3.586   2.090   1.201  1.00  0.00           O  
HETATM   11  C   UNL     1       2.350   0.056   2.791  1.00  0.00           C  
HETATM   12  N   UNL     1       3.733  -0.040  -0.037  1.00  0.00           N  
HETATM   13  C   UNL     1       3.297  -0.997  -1.057  1.00  0.00           C  
HETATM   14  C   UNL     1       4.512  -1.745  -1.632  1.00  0.00           C  
HETATM   15  C   UNL     1       4.293  -3.241  -1.327  1.00  0.00           C  
HETATM   16  C   UNL     1       2.759  -3.374  -1.159  1.00  0.00           C  
HETATM   17  C   UNL     1       2.381  -2.064  -0.424  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.154   0.525  -0.986  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.047   1.296  -1.620  1.00  0.00           O  
HETATM   20  N   UNL     1      -3.796   2.472  -1.492  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.729   2.666  -0.776  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.119   3.993  -0.404  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.142  -0.981  -0.923  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.913  -1.428   0.240  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.041  -2.744   0.498  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.518  -3.559  -0.232  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.834  -3.204   1.694  1.00  0.00           C  
HETATM   28  H   UNL     1       0.343   1.819  -1.000  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.220   0.173   2.012  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.248  -0.387   3.371  1.00  0.00           H  
HETATM   31  H   UNL     1       2.762  -0.897   2.459  1.00  0.00           H  
HETATM   32  H   UNL     1       3.104   0.836   2.681  1.00  0.00           H  
HETATM   33  H   UNL     1       2.056  -0.020   3.837  1.00  0.00           H  
HETATM   34  H   UNL     1       4.491  -0.248   0.530  1.00  0.00           H  
HETATM   35  H   UNL     1       2.768  -0.476  -1.855  1.00  0.00           H  
HETATM   36  H   UNL     1       4.572  -1.588  -2.709  1.00  0.00           H  
HETATM   37  H   UNL     1       5.427  -1.397  -1.152  1.00  0.00           H  
HETATM   38  H   UNL     1       4.640  -3.855  -2.159  1.00  0.00           H  
HETATM   39  H   UNL     1       4.805  -3.523  -0.407  1.00  0.00           H  
HETATM   40  H   UNL     1       2.267  -3.427  -2.131  1.00  0.00           H  
HETATM   41  H   UNL     1       2.510  -4.246  -0.554  1.00  0.00           H  
HETATM   42  H   UNL     1       2.583  -2.155   0.644  1.00  0.00           H  
HETATM   43  H   UNL     1       1.333  -1.819  -0.595  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.392   4.284  -1.162  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.902   4.749  -0.343  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.622   3.907   0.562  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.588  -1.386  -1.832  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.114  -1.333  -0.835  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.332  -0.776   0.823  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.225  -2.336   2.226  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.663  -3.830   1.362  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.189  -3.777   2.360  1.00  0.00           H  
CONECT    1    2    6    6   28                                       
CONECT    2    7    3    3    1                                       
CONECT    3    2    2    4   29                                       
CONECT    4    3    5    5   30                                       
CONECT    5    4    4    6   11                                       
CONECT    6    1    1    5    8                                       
CONECT    7   18   18   21    2                                       
CONECT    8    6   12   10   10                                       
CONECT    8    9    9                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    5   31   32   33                                       
CONECT   12   13    8   34                                            
CONECT   13   17   14   12   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   16   14   38   39                                       
CONECT   16   17   15   40   41                                       
CONECT   17   16   13   42   43                                       
CONECT   18   23   19    7    7                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21                                            
CONECT   21   20   20    7   22                                       
CONECT   22   21   44   45   46                                       
CONECT   23   24   18   47   48                                       
CONECT   24   25   23   49                                            
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   25   50   51   52                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
