COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.283   2.607  -0.812  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.439   0.535  -0.090  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.751   1.028  -0.170  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.824   0.226   0.146  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.635  -1.084   0.548  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.352  -1.591   0.633  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.270  -0.786   0.323  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.088   0.532  -0.226  1.00  0.00           C  
HETATM    9  C   UNL     1       0.168   1.011  -0.450  1.00  0.00           C  
HETATM   10  C   UNL     1       1.280   0.138  -0.387  1.00  0.00           C  
HETATM   11  C   UNL     1       1.158  -1.225  -0.691  1.00  0.00           C  
HETATM   12  C   UNL     1       2.273  -2.039  -0.621  1.00  0.00           C  
HETATM   13  C   UNL     1       3.679  -0.307   0.035  1.00  0.00           C  
HETATM   14  C   UNL     1       4.959   0.143   0.398  1.00  0.00           C  
HETATM   15  C   UNL     1       5.153   1.457   0.702  1.00  0.00           C  
HETATM   16  C   UNL     1       4.100   2.365   0.659  1.00  0.00           C  
HETATM   17  C   UNL     1       2.843   1.961   0.311  1.00  0.00           C  
HETATM   18  C   UNL     1       2.613   0.622  -0.006  1.00  0.00           C  
HETATM   19  C   UNL     1       4.582  -2.530  -0.232  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.265   1.210  -0.371  1.00  0.00           N  
HETATM   21  N   UNL     1       3.459  -1.590  -0.278  1.00  0.00           N1+
HETATM   22  S   UNL     1      -1.528  -1.094   0.320  1.00  0.00           S  
HETATM   23  H   UNL     1      -2.230   3.262   0.058  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.427   2.795  -1.460  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.204   2.803  -1.360  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.920   2.048  -0.481  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.826   0.625   0.079  1.00  0.00           H  
HETATM   28  H   UNL     1      -6.484  -1.706   0.794  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.194  -2.611   0.951  1.00  0.00           H  
HETATM   30  H   UNL     1       0.314   2.057  -0.675  1.00  0.00           H  
HETATM   31  H   UNL     1       0.201  -1.636  -0.977  1.00  0.00           H  
HETATM   32  H   UNL     1       2.164  -3.087  -0.858  1.00  0.00           H  
HETATM   33  H   UNL     1       5.787  -0.550   0.436  1.00  0.00           H  
HETATM   34  H   UNL     1       6.139   1.799   0.980  1.00  0.00           H  
HETATM   35  H   UNL     1       4.279   3.402   0.905  1.00  0.00           H  
HETATM   36  H   UNL     1       2.032   2.674   0.281  1.00  0.00           H  
HETATM   37  H   UNL     1       5.069  -2.562  -1.206  1.00  0.00           H  
HETATM   38  H   UNL     1       5.298  -2.203   0.522  1.00  0.00           H  
HETATM   39  H   UNL     1       4.214  -3.523   0.023  1.00  0.00           H  
CONECT    1   20   23   24   25                                       
CONECT    2    7   20    3    3                                       
CONECT    3    2    2    4   26                                       
CONECT    4    5    5    3   27                                       
CONECT    5    6    4    4   28                                       
CONECT    6    7    7    5   29                                       
CONECT    7   22    6    6    2                                       
CONECT    8   22    9    9   20                                       
CONECT    9   10    8    8   30                                       
CONECT   10   11   11   18    9                                       
CONECT   11   12   10   10   31                                       
CONECT   12   21   21   11   32                                       
CONECT   13   21   14   14   18                                       
CONECT   14   13   13   15   33                                       
CONECT   15   14   16   16   34                                       
CONECT   16   15   15   17   35                                       
CONECT   17   18   18   16   36                                       
CONECT   18   13   10   17   17                                       
CONECT   19   21   37   38   39                                       
CONECT   20    8    2    1                                            
CONECT   21   19   12   12   13                                       
CONECT   22    7    8                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    9                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   14                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   17                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   19                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
