COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.162   1.866   8.774  1.00  0.00           N  
HETATM    2  N   UNL     1       2.063   0.247  10.171  1.00  0.00           N  
HETATM    3  C   UNL     1       1.498   0.622   8.975  1.00  0.00           C  
HETATM    4  S   UNL     1       1.227  -0.577   7.713  1.00  0.00           S  
HETATM    5  C   UNL     1       0.492   0.471   6.434  1.00  0.00           C  
HETATM    6  C   UNL     1       0.163  -0.378   5.205  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.458   0.507   4.124  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.787  -0.341   2.895  1.00  0.00           C  
HETATM    9  B   UNL     1      -1.803  -1.469   3.295  1.00  0.00           B  
HETATM   10  O   UNL     1      -3.074  -1.125   3.824  1.00  0.00           O  
HETATM   11  O   UNL     1      -1.449  -2.835   3.128  1.00  0.00           O  
HETATM   12  N   UNL     1      -1.382   0.507   1.860  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.210   0.203   0.558  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.562  -0.772   0.243  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.823   1.076  -0.506  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.359   1.082  -0.360  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.850   1.075  -1.832  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.776   0.190  -2.514  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.513   0.545  -1.841  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.279   0.400  -2.362  1.00  0.00           C  
HETATM   21  O   UNL     1       0.693   0.726  -1.716  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.107  -0.166  -3.748  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.127   0.971  -4.771  1.00  0.00           C  
HETATM   24  C   UNL     1       0.044   0.404  -6.156  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.065   0.033  -6.893  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.907  -0.486  -8.164  1.00  0.00           C  
HETATM   27  C   UNL     1       0.358  -0.634  -8.699  1.00  0.00           C  
HETATM   28  C   UNL     1       1.467  -0.262  -7.962  1.00  0.00           C  
HETATM   29  C   UNL     1       1.310   0.261  -6.693  1.00  0.00           C  
HETATM   30  N   UNL     1       1.171  -0.875  -3.831  1.00  0.00           N  
HETATM   31  C   UNL     1       2.324  -0.214  -3.605  1.00  0.00           C  
HETATM   32  O   UNL     1       2.302   0.967  -3.332  1.00  0.00           O  
HETATM   33  C   UNL     1       3.640  -0.943  -3.690  1.00  0.00           C  
HETATM   34  C   UNL     1       4.782   0.029  -3.392  1.00  0.00           C  
HETATM   35  H   UNL     1       1.311   2.527   9.468  1.00  0.00           H  
HETATM   36  H   UNL     1       2.211   0.908  10.866  1.00  0.00           H  
HETATM   37  H   UNL     1       2.312  -0.678  10.321  1.00  0.00           H  
HETATM   38  H   UNL     1       1.197   1.254   6.157  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.422   0.924   6.818  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.541  -1.161   5.483  1.00  0.00           H  
HETATM   41  H   UNL     1       1.077  -0.831   4.822  1.00  0.00           H  
HETATM   42  H   UNL     1       0.246   1.291   3.846  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.372   0.961   4.507  1.00  0.00           H  
HETATM   44  H   UNL     1       0.127  -0.794   2.511  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.538  -1.955   4.001  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.555  -2.849   2.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.900   1.287   2.111  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.438   2.092  -0.418  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.697   1.981   0.154  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.697   0.187   0.162  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.849   2.082  -2.249  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.838   0.622  -1.912  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.717   0.419  -3.578  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.003  -0.864  -2.364  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.921  -0.859  -3.960  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.079   1.499  -4.709  1.00  0.00           H  
HETATM   57  H   UNL     1       0.686   1.664  -4.558  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.054   0.149  -6.476  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.774  -0.777  -8.740  1.00  0.00           H  
HETATM   60  H   UNL     1       0.481  -1.041  -9.692  1.00  0.00           H  
HETATM   61  H   UNL     1       2.456  -0.378  -8.380  1.00  0.00           H  
HETATM   62  H   UNL     1       2.176   0.552  -6.117  1.00  0.00           H  
HETATM   63  H   UNL     1       1.189  -1.820  -4.049  1.00  0.00           H  
HETATM   64  H   UNL     1       3.764  -1.353  -4.692  1.00  0.00           H  
HETATM   65  H   UNL     1       3.654  -1.754  -2.961  1.00  0.00           H  
HETATM   66  H   UNL     1       5.734  -0.498  -3.454  1.00  0.00           H  
HETATM   67  H   UNL     1       4.768   0.839  -4.120  1.00  0.00           H  
HETATM   68  H   UNL     1       4.658   0.439  -2.390  1.00  0.00           H  
CONECT    1    3    3   35                                            
CONECT    2    3   36   37                                            
CONECT    3    1    1    2    4                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   12   44                                       
CONECT    9    8   10   11                                            
CONECT   10    9   45                                                 
CONECT   11    9   46                                                 
CONECT   12    8   13   47                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   19   48                                       
CONECT   16   15   17   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   53   54                                       
CONECT   19   15   18   20                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   30   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   58                                       
CONECT   26   25   27   27   59                                       
CONECT   27   26   26   28   60                                       
CONECT   28   27   29   29   61                                       
CONECT   29   24   28   28   62                                       
CONECT   30   22   31   63                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   64   65                                       
CONECT   34   33   66   67   68                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
