COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.973  -2.309  -0.552  1.00  0.00           C  
HETATM    2  C   UNL     1       0.288  -2.102  -0.022  1.00  0.00           C  
HETATM    3  C   UNL     1       0.547  -0.990   0.758  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.454  -0.071   1.021  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.727  -0.260   0.491  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.800   0.719   0.763  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.573   1.697   1.447  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.150   0.507   0.200  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.167   1.425   0.451  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.428   1.218  -0.080  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.687   0.105  -0.859  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.688  -0.816  -1.118  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.413  -0.624  -0.592  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.340  -1.603  -0.864  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.568  -2.581  -1.548  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.990  -1.392  -0.301  1.00  0.00           C  
HETATM   17  S   UNL     1       2.159  -0.744   1.425  1.00  0.00           S  
HETATM   18  O   UNL     1       1.986   0.110   2.547  1.00  0.00           O  
HETATM   19  O   UNL     1       2.764  -2.029   1.455  1.00  0.00           O  
HETATM   20  N   UNL     1       3.024   0.135   0.319  1.00  0.00           N  
HETATM   21  C   UNL     1       3.015   1.598   0.379  1.00  0.00           C  
HETATM   22  C   UNL     1       1.946   2.141  -0.571  1.00  0.00           C  
HETATM   23  C   UNL     1       1.937   3.670  -0.509  1.00  0.00           C  
HETATM   24  N   UNL     1       0.911   4.192  -1.421  1.00  0.00           N1+
HETATM   25  C   UNL     1       3.797  -0.552  -0.718  1.00  0.00           C  
HETATM   26  C   UNL     1       5.275  -0.179  -0.583  1.00  0.00           C  
HETATM   27  C   UNL     1       6.083  -0.896  -1.667  1.00  0.00           C  
HETATM   28  N   UNL     1       7.502  -0.537  -1.538  1.00  0.00           N1+
HETATM   29  H   UNL     1      -1.169  -3.180  -1.160  1.00  0.00           H  
HETATM   30  H   UNL     1       1.076  -2.815  -0.218  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.246   0.794   1.634  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.971   2.296   1.059  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.216   1.931   0.116  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.675  -0.045  -1.267  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.897  -1.683  -1.728  1.00  0.00           H  
HETATM   36  H   UNL     1       3.993   1.980   0.082  1.00  0.00           H  
HETATM   37  H   UNL     1       2.794   1.919   1.397  1.00  0.00           H  
HETATM   38  H   UNL     1       0.969   1.760  -0.274  1.00  0.00           H  
HETATM   39  H   UNL     1       2.168   1.821  -1.589  1.00  0.00           H  
HETATM   40  H   UNL     1       2.914   4.052  -0.805  1.00  0.00           H  
HETATM   41  H   UNL     1       1.716   3.991   0.509  1.00  0.00           H  
HETATM   42  H   UNL     1       1.116   3.895  -2.363  1.00  0.00           H  
HETATM   43  H   UNL     1       0.905   5.200  -1.380  1.00  0.00           H  
HETATM   44  H   UNL     1       0.006   3.839  -1.146  1.00  0.00           H  
HETATM   45  H   UNL     1       3.683  -1.630  -0.604  1.00  0.00           H  
HETATM   46  H   UNL     1       3.435  -0.250  -1.701  1.00  0.00           H  
HETATM   47  H   UNL     1       5.390   0.899  -0.698  1.00  0.00           H  
HETATM   48  H   UNL     1       5.638  -0.480   0.399  1.00  0.00           H  
HETATM   49  H   UNL     1       5.968  -1.973  -1.553  1.00  0.00           H  
HETATM   50  H   UNL     1       5.720  -0.594  -2.650  1.00  0.00           H  
HETATM   51  H   UNL     1       7.608   0.460  -1.644  1.00  0.00           H  
HETATM   52  H   UNL     1       7.837  -0.817  -0.628  1.00  0.00           H  
HETATM   53  H   UNL     1       8.034  -1.010  -2.253  1.00  0.00           H  
CONECT    1    2    2   16   29                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6   16   16                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   13                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11   10   10   12   34                                       
CONECT   12   11   13   13   35                                       
CONECT   13    8   12   12   14                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16    1    5    5   14                                       
CONECT   17    3   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21   25                                            
CONECT   21   20   22   36   37                                       
CONECT   22   21   23   38   39                                       
CONECT   23   22   24   40   41                                       
CONECT   24   23   42   43   44                                       
CONECT   25   20   26   45   46                                       
CONECT   26   25   27   47   48                                       
CONECT   27   26   28   49   50                                       
CONECT   28   27   51   52   53                                       
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    4                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   22                                                      
CONECT   40   23                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
