COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.574  -1.906   0.200  1.00  0.00           C  
HETATM    2  C   UNL     1       0.189  -1.416   0.627  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.823  -2.584   0.647  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.025  -3.043   1.985  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.128  -1.995   0.081  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.406  -0.460  -0.436  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.010  -1.013  -1.386  1.00  0.00           C  
HETATM    8  N   UNL     1      -6.235  -0.632  -0.921  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.135   0.583  -0.284  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.041   1.429   0.365  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.589   2.566   0.886  1.00  0.00           N  
HETATM   12  C   UNL     1      -5.314   2.902   0.800  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.424   2.141   0.201  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.788   0.981  -0.351  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.870  -0.568  -0.210  1.00  0.00           N  
HETATM   16  C   UNL     1       2.578  -0.757   0.310  1.00  0.00           C  
HETATM   17  S   UNL     1       4.220  -1.339  -0.196  1.00  0.00           S  
HETATM   18  C   UNL     1       5.254   0.139  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1       6.695  -0.191  -0.395  1.00  0.00           C  
HETATM   20  O   UNL     1       7.510   0.972  -0.241  1.00  0.00           O  
HETATM   21  C   UNL     1      -2.620  -0.128  -1.393  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.091  -0.082  -1.068  1.00  0.00           C  
HETATM   23  N   UNL     1      -8.381   1.090   0.463  1.00  0.00           N  
HETATM   24  C   UNL     1       8.882   0.771  -0.585  1.00  0.00           C  
HETATM   25  C   UNL     1       9.656   2.076  -0.382  1.00  0.00           C  
HETATM   26  O   UNL     1       9.660   2.417   1.005  1.00  0.00           O  
HETATM   27  H   UNL     1       1.886  -2.725   0.849  1.00  0.00           H  
HETATM   28  H   UNL     1       1.533  -2.256  -0.832  1.00  0.00           H  
HETATM   29  H   UNL     1       0.237  -0.931   1.602  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.470  -3.401   0.017  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.651  -3.776   2.059  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.404  -2.517  -0.836  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.927  -2.086   0.817  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.066   0.562  -0.268  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.147  -0.793  -1.441  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.808  -1.926  -1.924  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.054  -1.141  -1.025  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.991   3.835   1.237  1.00  0.00           H  
HETATM   39  H   UNL     1       2.266   0.061  -0.338  1.00  0.00           H  
HETATM   40  H   UNL     1       2.619  -0.408   1.342  1.00  0.00           H  
HETATM   41  H   UNL     1       4.876   0.935  -0.641  1.00  0.00           H  
HETATM   42  H   UNL     1       5.228   0.466   1.039  1.00  0.00           H  
HETATM   43  H   UNL     1       7.074  -0.988   0.246  1.00  0.00           H  
HETATM   44  H   UNL     1       6.722  -0.518  -1.434  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.282   0.865  -1.689  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.451  -0.828  -2.212  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.700   0.258   0.079  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.000   1.684   0.915  1.00  0.00           H  
HETATM   49  H   UNL     1       9.306  -0.005   0.052  1.00  0.00           H  
HETATM   50  H   UNL     1       8.954   0.464  -1.628  1.00  0.00           H  
HETATM   51  H   UNL     1      10.681   1.947  -0.728  1.00  0.00           H  
HETATM   52  H   UNL     1       9.177   2.873  -0.951  1.00  0.00           H  
HETATM   53  H   UNL     1      10.134   3.235   1.208  1.00  0.00           H  
CONECT    1   16    2   27   28                                       
CONECT    2    1    3    6   29                                       
CONECT    3    2    4    5   30                                       
CONECT    4    3   31                                                 
CONECT    5    3   15   32   33                                       
CONECT    6    2   15   34   35                                       
CONECT    7   22   22    8   36                                       
CONECT    8    9    7   37                                            
CONECT    9   14   14   10    8                                       
CONECT   10   11   11    9   23                                       
CONECT   11   12   10   10                                            
CONECT   12   13   13   11   38                                       
CONECT   13   12   12   14                                            
CONECT   14   13   22    9    9                                       
CONECT   15    6    5   21                                            
CONECT   16   17    1   39   40                                       
CONECT   17   18   16                                                 
CONECT   18   19   17   41   42                                       
CONECT   19   20   18   43   44                                       
CONECT   20   24   19                                                 
CONECT   21   15   22   45   46                                       
CONECT   22   14   21    7    7                                       
CONECT   23   10   47   48                                            
CONECT   24   25   20   49   50                                       
CONECT   25   26   24   51   52                                       
CONECT   26   25   53                                                 
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38   12                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
