COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.295   2.364   0.572  1.00  0.00           C  
HETATM    2  C   UNL     1       8.184   1.440  -0.266  1.00  0.00           C  
HETATM    3  C   UNL     1       5.476   0.748   0.063  1.00  0.00           C  
HETATM    4  C   UNL     1       6.384  -0.234   0.068  1.00  0.00           C  
HETATM    5  C   UNL     1       7.885  -0.012   0.113  1.00  0.00           C  
HETATM    6  N   UNL     1       2.830  -1.741  -0.058  1.00  0.00           N  
HETATM    7  C   UNL     1      -8.875  -0.668   0.829  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.390   1.161  -0.630  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.948   1.664  -0.528  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.427  -0.183   0.946  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.909  -0.311  -0.134  1.00  0.00           C  
HETATM   12  C   UNL     1       2.914   1.044  -0.001  1.00  0.00           C  
HETATM   13  C   UNL     1       1.745  -0.974  -0.073  1.00  0.00           C  
HETATM   14  N   UNL     1       2.931   2.427   0.026  1.00  0.00           N  
HETATM   15  N   UNL     1       1.778   0.350  -0.046  1.00  0.00           N  
HETATM   16  S   UNL     1       0.171  -1.763  -0.133  1.00  0.00           S  
HETATM   17  C   UNL     1      -2.349  -0.755  -0.183  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.337   0.161  -0.192  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.736  -0.271  -0.239  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.649   0.957  -0.240  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.052   0.524  -0.288  1.00  0.00           N  
HETATM   22  O   UNL     1      -9.727   0.450   0.565  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.618  -1.938  -0.214  1.00  0.00           O  
HETATM   24  C   UNL     1       4.020  -1.125  -0.013  1.00  0.00           C  
HETATM   25  S   UNL     1       5.621  -1.817   0.017  1.00  0.00           S  
HETATM   26  C   UNL     1       4.109   0.273   0.016  1.00  0.00           C  
HETATM   27  C   UNL     1       5.846   2.226   0.101  1.00  0.00           C  
HETATM   28  H   UNL     1       7.365   2.082   1.623  1.00  0.00           H  
HETATM   29  H   UNL     1       7.621   3.396   0.449  1.00  0.00           H  
HETATM   30  H   UNL     1       7.973   1.592  -1.325  1.00  0.00           H  
HETATM   31  H   UNL     1       9.232   1.663  -0.068  1.00  0.00           H  
HETATM   32  H   UNL     1       8.375  -0.682  -0.594  1.00  0.00           H  
HETATM   33  H   UNL     1       8.254  -0.209   1.120  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.954  -1.386   0.013  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.176  -1.143   1.763  1.00  0.00           H  
HETATM   36  H   UNL     1     -10.064   2.009  -0.751  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.483   0.496  -1.488  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.668   2.157  -1.459  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.866   2.371   0.298  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.338   0.495   1.795  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.768  -1.038   1.091  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.739   0.269   0.773  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.689   0.305  -1.005  1.00  0.00           H  
HETATM   44  H   UNL     1       2.106   2.919   0.159  1.00  0.00           H  
HETATM   45  H   UNL     1       3.768   2.904  -0.086  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.122   1.107  -0.166  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.906  -0.851  -1.146  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.956  -0.887   0.633  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.478   1.537   0.667  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.429   1.573  -1.112  1.00  0.00           H  
HETATM   51  H   UNL     1       5.187   2.749   0.793  1.00  0.00           H  
HETATM   52  H   UNL     1       5.745   2.653  -0.896  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    5    1   30   31                                       
CONECT    3    4    4   27   26                                       
CONECT    4    5   25    3    3                                       
CONECT    5    2    4   32   33                                       
CONECT    6   24   13   13                                            
CONECT    7   22   10   34   35                                       
CONECT    8   22    9   36   37                                       
CONECT    9    8   21   38   39                                       
CONECT   10    7   21   40   41                                       
CONECT   11   16   17   42   43                                       
CONECT   12   26   14   15   15                                       
CONECT   13    6    6   15   16                                       
CONECT   14   12   44   45                                            
CONECT   15   12   12   13                                            
CONECT   16   13   11                                                 
CONECT   17   11   18   23   23                                       
CONECT   18   17   19   46                                            
CONECT   19   18   20   47   48                                       
CONECT   20   21   19   49   50                                       
CONECT   21    9   10   20                                            
CONECT   22    8    7                                                 
CONECT   23   17   17                                                 
CONECT   24   25   26   26    6                                       
CONECT   25    4   24                                                 
CONECT   26    3   24   24   12                                       
CONECT   27    1    3   51   52                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
