COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.968   2.858  -1.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.192   3.937  -0.805  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.217   3.784   0.164  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.386   4.941   0.566  1.00  0.00           N1+
HETATM    5  O   UNL     1      -0.561   6.027   0.043  1.00  0.00           O1-
HETATM    6  O   UNL     1       0.472   4.807   1.419  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.017   2.551   0.758  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.795   1.471   0.388  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.769   1.621  -0.588  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.532   0.558  -0.957  1.00  0.00           O  
HETATM   11  C   UNL     1      -3.093  -0.556  -0.177  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.749  -0.879  -0.526  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.003  -1.756  -0.450  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.352  -1.418  -0.125  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.545  -2.936   0.414  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.289  -4.105   0.063  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.053  -3.178   0.163  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.571  -4.176   1.065  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.291  -1.870   0.391  1.00  0.00           C  
HETATM   20  C   UNL     1       0.205  -2.109   0.177  1.00  0.00           C  
HETATM   21  S   UNL     1       1.124  -0.602   0.595  1.00  0.00           S  
HETATM   22  C   UNL     1       2.816  -1.161   0.257  1.00  0.00           C  
HETATM   23  O   UNL     1       2.990  -1.324  -1.150  1.00  0.00           O  
HETATM   24  C   UNL     1       4.264  -1.931  -1.360  1.00  0.00           C  
HETATM   25  C   UNL     1       5.374  -0.955  -0.964  1.00  0.00           C  
HETATM   26  O   UNL     1       5.259   0.241  -1.738  1.00  0.00           O  
HETATM   27  C   UNL     1       5.238  -0.618   0.525  1.00  0.00           C  
HETATM   28  O   UNL     1       5.491  -1.785   1.310  1.00  0.00           O  
HETATM   29  C   UNL     1       3.809  -0.123   0.785  1.00  0.00           C  
HETATM   30  O   UNL     1       3.603   1.121   0.112  1.00  0.00           O  
HETATM   31  H   UNL     1      -3.729   2.979  -1.939  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.346   4.901  -1.267  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.255   2.434   1.514  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.638   0.508   0.852  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.141  -0.299   0.881  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.939  -2.030  -1.504  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.595  -0.669  -0.687  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.707  -2.703   1.467  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.221  -3.903   0.225  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.905  -3.513  -0.864  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.082  -4.978   0.893  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.460  -1.526   1.412  1.00  0.00           H  
HETATM   43  H   UNL     1       0.386  -2.368  -0.866  1.00  0.00           H  
HETATM   44  H   UNL     1       0.538  -2.927   0.817  1.00  0.00           H  
HETATM   45  H   UNL     1       2.990  -2.114   0.756  1.00  0.00           H  
HETATM   46  H   UNL     1       4.370  -2.193  -2.412  1.00  0.00           H  
HETATM   47  H   UNL     1       4.340  -2.832  -0.752  1.00  0.00           H  
HETATM   48  H   UNL     1       6.346  -1.415  -1.146  1.00  0.00           H  
HETATM   49  H   UNL     1       5.347  -0.017  -2.665  1.00  0.00           H  
HETATM   50  H   UNL     1       5.950   0.164   0.792  1.00  0.00           H  
HETATM   51  H   UNL     1       6.398  -2.061   1.116  1.00  0.00           H  
HETATM   52  H   UNL     1       3.659   0.013   1.856  1.00  0.00           H  
HETATM   53  H   UNL     1       2.693   1.392   0.297  1.00  0.00           H  
CONECT    1    2    2    9   31                                       
CONECT    2    1    1    3   32                                       
CONECT    3    2    4    7    7                                       
CONECT    4    3    5    6    6                                       
CONECT    5    4                                                      
CONECT    6    4    4                                                 
CONECT    7    3    3    8   33                                       
CONECT    8    7    9    9   34                                       
CONECT    9    1    8    8   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   13   35                                       
CONECT   12   11   19                                                 
CONECT   13   11   14   15   36                                       
CONECT   14   13   37                                                 
CONECT   15   13   16   17   38                                       
CONECT   16   15   39                                                 
CONECT   17   15   18   19   40                                       
CONECT   18   17   41                                                 
CONECT   19   12   17   20   42                                       
CONECT   20   19   21   43   44                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   29   45                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   46   47                                       
CONECT   25   24   26   27   48                                       
CONECT   26   25   49                                                 
CONECT   27   25   28   29   50                                       
CONECT   28   27   51                                                 
CONECT   29   22   27   30   52                                       
CONECT   30   29   53                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
