COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.458  -0.831   0.299  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.281   1.440   1.686  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.615   0.822   0.326  1.00  0.00           C  
HETATM    4  C   UNL     1       0.028  -0.536   0.220  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.609  -1.719   0.033  1.00  0.00           C  
HETATM    6  C   UNL     1       1.583  -2.224   0.141  1.00  0.00           C  
HETATM    7  C   UNL     1       2.599  -0.045   0.480  1.00  0.00           C  
HETATM    8  C   UNL     1       3.831  -0.634   0.509  1.00  0.00           C  
HETATM    9  C   UNL     1       3.959  -2.009   0.360  1.00  0.00           C  
HETATM   10  C   UNL     1       2.848  -2.802   0.173  1.00  0.00           C  
HETATM   11  C   UNL     1       5.327  -2.639   0.395  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.072  -1.887  -0.103  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.938  -1.217   0.763  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.302  -1.378   0.631  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.812  -2.201  -0.357  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.959  -2.868  -1.219  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.594  -2.711  -1.101  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.093   1.713  -0.772  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.840   2.292  -1.713  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.138   3.069  -2.619  1.00  0.00           C  
HETATM   21  C   UNL     1       1.179   3.120  -2.413  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.002   2.706   1.837  1.00  0.00           N1+
HETATM   23  N   UNL     1       0.314  -2.737  -0.012  1.00  0.00           N  
HETATM   24  O   UNL     1      -2.179   2.777   1.531  1.00  0.00           O1-
HETATM   25  O   UNL     1      -0.425   3.688   2.270  1.00  0.00           O  
HETATM   26  S   UNL     1       1.594   2.153  -1.003  1.00  0.00           S  
HETATM   27  H   UNL     1      -0.580   0.755   2.479  1.00  0.00           H  
HETATM   28  H   UNL     1       0.791   1.623   1.748  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.696   0.721   0.228  1.00  0.00           H  
HETATM   30  H   UNL     1       2.508   1.025   0.596  1.00  0.00           H  
HETATM   31  H   UNL     1       4.713  -0.026   0.649  1.00  0.00           H  
HETATM   32  H   UNL     1       2.958  -3.870   0.058  1.00  0.00           H  
HETATM   33  H   UNL     1       5.578  -2.908   1.421  1.00  0.00           H  
HETATM   34  H   UNL     1       5.331  -3.534  -0.228  1.00  0.00           H  
HETATM   35  H   UNL     1       6.063  -1.929   0.016  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.541  -0.575   1.536  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.973  -0.860   1.301  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.880  -2.323  -0.456  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.364  -3.509  -1.988  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.929  -3.229  -1.777  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.911   2.164  -1.765  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.620   3.593  -3.431  1.00  0.00           H  
HETATM   43  H   UNL     1       1.883   3.674  -3.017  1.00  0.00           H  
HETATM   44  H   UNL     1       0.103  -3.676  -0.140  1.00  0.00           H  
CONECT    1    6    6    4    7                                       
CONECT    2    3   22   27   28                                       
CONECT    3    4   18    2   29                                       
CONECT    4    5    5    1    3                                       
CONECT    5   23   12    4    4                                       
CONECT    6   10   23    1    1                                       
CONECT    7    1    8    8   30                                       
CONECT    8    9    7    7   31                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9    6   32                                       
CONECT   11    9   33   34   35                                       
CONECT   12   13    5   17   17                                       
CONECT   13   14   14   12   36                                       
CONECT   14   13   13   15   37                                       
CONECT   15   14   16   16   38                                       
CONECT   16   15   15   17   39                                       
CONECT   17   12   12   16   40                                       
CONECT   18    3   19   19   26                                       
CONECT   19   18   18   20   41                                       
CONECT   20   19   21   21   42                                       
CONECT   21   20   20   26   43                                       
CONECT   22   25   25   24    2                                       
CONECT   23    6    5   44                                            
CONECT   24   22                                                      
CONECT   25   22   22                                                 
CONECT   26   18   21                                                 
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
