COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.509   3.521   0.961  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.266   3.391   0.369  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.007   2.326  -0.474  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.989   1.388  -0.726  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.237   1.516  -0.133  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.494   2.585   0.712  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.205   0.594  -0.380  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.465   0.789   0.265  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.420  -0.339  -0.130  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.769  -0.131   0.560  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.724  -1.259   0.165  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.031  -1.122   0.950  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.004  -2.217   0.507  1.00  0.00           C  
HETATM   14  N   UNL     1     -11.262  -2.090  -0.933  1.00  0.00           N  
HETATM   15  C   UNL     1     -10.028  -2.266  -1.711  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.026  -1.173  -1.334  1.00  0.00           C  
HETATM   17  C   UNL     1       0.349   2.189  -1.118  1.00  0.00           C  
HETATM   18  C   UNL     1       1.249   1.375  -0.224  1.00  0.00           C  
HETATM   19  O   UNL     1       0.831   0.949   0.832  1.00  0.00           O  
HETATM   20  N   UNL     1       2.519   1.121  -0.598  1.00  0.00           N  
HETATM   21  C   UNL     1       3.349   0.371   0.226  1.00  0.00           C  
HETATM   22  N   UNL     1       4.582   0.077  -0.038  1.00  0.00           N  
HETATM   23  C   UNL     1       5.232  -0.650   0.862  1.00  0.00           C  
HETATM   24  C   UNL     1       4.495  -0.980   1.940  1.00  0.00           C  
HETATM   25  S   UNL     1       2.889  -0.286   1.735  1.00  0.00           S  
HETATM   26  C   UNL     1       6.647  -1.064   0.695  1.00  0.00           C  
HETATM   27  C   UNL     1       7.381  -1.803   1.560  1.00  0.00           C  
HETATM   28  N   UNL     1       8.644  -1.979   1.060  1.00  0.00           N  
HETATM   29  C   UNL     1       8.765  -1.352  -0.157  1.00  0.00           C  
HETATM   30  C   UNL     1       7.523  -0.757  -0.445  1.00  0.00           C  
HETATM   31  C   UNL     1       7.360  -0.047  -1.634  1.00  0.00           C  
HETATM   32  C   UNL     1       8.442   0.044  -2.491  1.00  0.00           C  
HETATM   33  C   UNL     1       9.637  -0.567  -2.145  1.00  0.00           C  
HETATM   34  N   UNL     1       9.766  -1.240  -1.021  1.00  0.00           N  
HETATM   35  H   UNL     1      -2.708   4.351   1.622  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.497   4.124   0.564  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.786   0.557  -1.385  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.464   2.684   1.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.325   0.784   1.346  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.886   1.746  -0.043  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.560  -0.335  -1.211  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.998  -1.296   0.177  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.629  -0.135   1.641  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.191   0.826   0.252  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.263  -2.221   0.389  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.828  -1.226   2.016  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.471  -0.144   0.756  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.569  -3.195   0.713  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.941  -2.113   1.054  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.701  -1.207  -1.146  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.598  -3.244  -1.494  1.00  0.00           H  
HETATM   52  H   UNL     1     -10.257  -2.198  -2.775  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.450  -0.195  -1.563  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.105  -1.312  -1.899  1.00  0.00           H  
HETATM   55  H   UNL     1       0.245   1.689  -2.080  1.00  0.00           H  
HETATM   56  H   UNL     1       0.783   3.178  -1.267  1.00  0.00           H  
HETATM   57  H   UNL     1       2.853   1.462  -1.442  1.00  0.00           H  
HETATM   58  H   UNL     1       4.832  -1.564   2.783  1.00  0.00           H  
HETATM   59  H   UNL     1       7.025  -2.194   2.501  1.00  0.00           H  
HETATM   60  H   UNL     1       9.351  -2.475   1.502  1.00  0.00           H  
HETATM   61  H   UNL     1       6.417   0.419  -1.878  1.00  0.00           H  
HETATM   62  H   UNL     1       8.356   0.585  -3.422  1.00  0.00           H  
HETATM   63  H   UNL     1      10.479  -0.495  -2.816  1.00  0.00           H  
CONECT    1    2    6    6   35                                       
CONECT    2    3    3    1   36                                       
CONECT    3   17    2    2    4                                       
CONECT    4    3    5    5   37                                       
CONECT    5    4    4    6    7                                       
CONECT    6    1    1    5   38                                       
CONECT    7    5    8                                                 
CONECT    8    7    9   39   40                                       
CONECT    9    8   10   41   42                                       
CONECT   10    9   11   43   44                                       
CONECT   11   16   10   12   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   14   12   48   49                                       
CONECT   14   15   13   50                                            
CONECT   15   16   14   51   52                                       
CONECT   16   15   11   53   54                                       
CONECT   17    3   18   55   56                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   57                                            
CONECT   21   22   22   20   25                                       
CONECT   22   23   21   21                                            
CONECT   23   26   22   24   24                                       
CONECT   24   23   23   25   58                                       
CONECT   25   21   24                                                 
CONECT   26   30   27   27   23                                       
CONECT   27   28   26   26   59                                       
CONECT   28   29   27   60                                            
CONECT   29   34   34   30   28                                       
CONECT   30   31   31   29   26                                       
CONECT   31   32   30   30   61                                       
CONECT   32   33   33   31   62                                       
CONECT   33   32   32   34   63                                       
CONECT   34   33   29   29                                            
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   20                                                      
CONECT   58   24                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
