COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.730   1.478  -1.297  1.00  0.00           C  
HETATM    2  N   UNL     1       1.484   1.153  -0.897  1.00  0.00           N  
HETATM    3  C   UNL     1       0.312   1.799  -1.503  1.00  0.00           C  
HETATM    4  C   UNL     1       1.275   0.141   0.148  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.888  -0.189   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.254  -0.506   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.492  -0.250   0.773  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.102  -1.783  -0.919  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.825  -2.114  -1.779  1.00  0.00           C  
HETATM   10  O   UNL     1       6.080  -2.846   1.065  1.00  0.00           O  
HETATM   11  N   UNL     1       5.109  -2.366   0.509  1.00  0.00           N1+
HETATM   12  O   UNL     1       4.182  -3.082   0.174  1.00  0.00           O  
HETATM   13  C   UNL     1       5.059  -1.044   0.265  1.00  0.00           C  
HETATM   14  C   UNL     1       6.127  -0.214   0.650  1.00  0.00           C  
HETATM   15  C   UNL     1       6.073   1.140   0.398  1.00  0.00           C  
HETATM   16  C   UNL     1       4.974   1.691  -0.233  1.00  0.00           C  
HETATM   17  C   UNL     1       3.902   0.881  -0.623  1.00  0.00           C  
HETATM   18  C   UNL     1       3.944  -0.488  -0.381  1.00  0.00           C  
HETATM   19  O   UNL     1       2.889   2.258  -2.215  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.535   2.422  -0.387  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.745   1.415   0.663  1.00  0.00           N  
HETATM   22  C   UNL     1       0.430   0.761   1.268  1.00  0.00           C  
HETATM   23  S   UNL     1      -2.275   1.015   1.154  1.00  0.00           S  
HETATM   24  O   UNL     1      -3.071   2.178   0.973  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.135   0.355   2.405  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.182   0.113   0.857  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.911  -1.166  -0.090  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.731  -1.482  -0.913  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.506  -1.777  -1.734  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.038  -0.823  -0.833  1.00  0.00           C  
HETATM   31  H   UNL     1       0.638   2.577  -2.193  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.279   1.056  -2.039  1.00  0.00           H  
HETATM   33  H   UNL     1       0.751  -0.717  -0.273  1.00  0.00           H  
HETATM   34  H   UNL     1       2.238  -0.178   0.547  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.210   0.221   1.428  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.491  -2.522  -1.604  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.173  -2.856  -2.483  1.00  0.00           H  
HETATM   38  H   UNL     1       6.989  -0.638   1.143  1.00  0.00           H  
HETATM   39  H   UNL     1       6.895   1.774   0.697  1.00  0.00           H  
HETATM   40  H   UNL     1       4.941   2.754  -0.425  1.00  0.00           H  
HETATM   41  H   UNL     1       3.121  -1.118  -0.684  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.013   3.283   0.032  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.497   2.739  -0.790  1.00  0.00           H  
HETATM   44  H   UNL     1       0.103  -0.020   1.955  1.00  0.00           H  
HETATM   45  H   UNL     1       1.022   1.501   1.806  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.862   0.861   1.568  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.812  -2.258  -2.407  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.986  -0.582  -0.812  1.00  0.00           H  
HETATM   49  H   UNL     1       6.070  -3.801   1.219  1.00  0.00           H  
CONECT    1   17   19   19    2                                       
CONECT    2    1    4    3                                            
CONECT    3    2   20   31   32                                       
CONECT    4    2   22   33   34                                       
CONECT    5    6    6   30   23                                       
CONECT    6   28   26    5    5                                       
CONECT    7   27   26   26   35                                       
CONECT    8   27   27   28   36                                       
CONECT    9   28   28   29   37                                       
CONECT   10   11   49                                                 
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   18                                       
CONECT   14   13   13   15   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   18   18   16    1                                       
CONECT   18   13   17   17   41                                       
CONECT   19    1    1                                                 
CONECT   20   21    3   42   43                                       
CONECT   21   22   20   23                                            
CONECT   22    4   21   44   45                                       
CONECT   23    5   21   24   24                                       
CONECT   23   25   25                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26    7    7    6   46                                       
CONECT   27    8    8    7                                            
CONECT   28    8    9    9    6                                       
CONECT   29    9   30   30   47                                       
CONECT   30   29   29    5   48                                       
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   10                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
