COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.694   0.554   2.731  1.00  0.00           C  
HETATM    2  N   UNL     1      -5.271   0.327   1.347  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.941   0.534   0.973  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.218   1.507   1.662  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.899   1.750   1.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.265   1.022   0.347  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.975   0.053  -0.354  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.313  -0.190  -0.052  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.055  -1.197  -0.839  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.620  -2.159  -1.681  1.00  0.00           N  
HETATM   11  N   UNL     1      -4.747  -2.841  -2.171  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.826  -2.308  -1.639  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.432  -1.287  -0.807  1.00  0.00           C  
HETATM   14  S   UNL     1      -6.371  -0.189   0.204  1.00  0.00           S  
HETATM   15  O   UNL     1      -7.339  -0.977   0.884  1.00  0.00           O  
HETATM   16  O   UNL     1      -6.692   0.940  -0.597  1.00  0.00           O  
HETATM   17  C   UNL     1       0.158   1.280   0.025  1.00  0.00           C  
HETATM   18  C   UNL     1       0.867   2.253   0.731  1.00  0.00           C  
HETATM   19  C   UNL     1       2.188   2.494   0.432  1.00  0.00           C  
HETATM   20  C   UNL     1       2.821   1.763  -0.578  1.00  0.00           C  
HETATM   21  C   UNL     1       2.110   0.789  -1.283  1.00  0.00           C  
HETATM   22  C   UNL     1       0.789   0.546  -0.980  1.00  0.00           C  
HETATM   23  C   UNL     1       4.239   2.021  -0.899  1.00  0.00           C  
HETATM   24  O   UNL     1       4.618   3.158  -1.106  1.00  0.00           O  
HETATM   25  N   UNL     1       5.112   0.997  -0.964  1.00  0.00           N  
HETATM   26  C   UNL     1       6.541   1.245  -1.201  1.00  0.00           C  
HETATM   27  C   UNL     1       7.350   0.561  -0.094  1.00  0.00           C  
HETATM   28  C   UNL     1       6.971  -0.920  -0.032  1.00  0.00           C  
HETATM   29  C   UNL     1       7.802  -1.614   1.049  1.00  0.00           C  
HETATM   30  C   UNL     1       7.515  -3.116   1.028  1.00  0.00           C  
HETATM   31  O   UNL     1       8.291  -3.764   2.037  1.00  0.00           O  
HETATM   32  C   UNL     1       5.484  -1.055   0.304  1.00  0.00           C  
HETATM   33  C   UNL     1       4.655  -0.389  -0.792  1.00  0.00           C  
HETATM   34  H   UNL     1      -6.016   1.589   2.847  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.522  -0.112   2.972  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.860   0.355   3.404  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.699   2.075   2.445  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.352   2.508   1.898  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.488  -0.512  -1.135  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.696  -2.345  -1.908  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.844  -2.619  -1.823  1.00  0.00           H  
HETATM   42  H   UNL     1       0.378   2.818   1.511  1.00  0.00           H  
HETATM   43  H   UNL     1       2.737   3.248   0.978  1.00  0.00           H  
HETATM   44  H   UNL     1       2.597   0.224  -2.064  1.00  0.00           H  
HETATM   45  H   UNL     1       0.241  -0.210  -1.522  1.00  0.00           H  
HETATM   46  H   UNL     1       6.827   0.835  -2.169  1.00  0.00           H  
HETATM   47  H   UNL     1       6.732   2.318  -1.186  1.00  0.00           H  
HETATM   48  H   UNL     1       8.414   0.656  -0.310  1.00  0.00           H  
HETATM   49  H   UNL     1       7.130   1.034   0.863  1.00  0.00           H  
HETATM   50  H   UNL     1       7.169  -1.386  -0.997  1.00  0.00           H  
HETATM   51  H   UNL     1       8.862  -1.444   0.858  1.00  0.00           H  
HETATM   52  H   UNL     1       7.540  -1.208   2.026  1.00  0.00           H  
HETATM   53  H   UNL     1       6.456  -3.287   1.219  1.00  0.00           H  
HETATM   54  H   UNL     1       7.778  -3.523   0.051  1.00  0.00           H  
HETATM   55  H   UNL     1       8.160  -4.721   2.082  1.00  0.00           H  
HETATM   56  H   UNL     1       5.218  -2.109   0.372  1.00  0.00           H  
HETATM   57  H   UNL     1       5.285  -0.567   1.258  1.00  0.00           H  
HETATM   58  H   UNL     1       3.602  -0.395  -0.509  1.00  0.00           H  
HETATM   59  H   UNL     1       4.786  -0.930  -1.730  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    1   14    3                                            
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    6   38                                       
CONECT    6    7    7    5   17                                       
CONECT    7    8    6    6   39                                       
CONECT    8    9    3    3    7                                       
CONECT    9   13   13   10    8                                       
CONECT   10   11    9   40                                            
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   41                                       
CONECT   13   12   14    9    9                                       
CONECT   14   16   16   13    2                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17    6   18   18   22                                       
CONECT   18   17   17   19   42                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   23                                       
CONECT   21   22   22   20   44                                       
CONECT   22   17   21   21   45                                       
CONECT   23   20   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   33   23   26                                            
CONECT   26   25   27   46   47                                       
CONECT   27   28   26   48   49                                       
CONECT   28   32   29   27   50                                       
CONECT   29   30   28   51   52                                       
CONECT   30   31   29   53   54                                       
CONECT   31   30   55                                                 
CONECT   32   33   28   56   57                                       
CONECT   33   32   25   58   59                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
