COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.816   0.361  -0.381  1.00  0.00           C  
HETATM    2  C   UNL     1       8.292   1.240   0.382  1.00  0.00           C  
HETATM    3  C   UNL     1      10.277   2.305   0.854  1.00  0.00           C  
HETATM    4  C   UNL     1       1.831  -3.603  -0.663  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.476  -3.663  -0.449  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.245  -3.296   1.649  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.893  -0.042   1.466  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.670   2.802  -0.520  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.362  -2.603  -0.475  1.00  0.00           C  
HETATM   10  O   UNL     1       5.047  -1.820   0.091  1.00  0.00           O  
HETATM   11  C   UNL     1       4.796  -0.748  -0.418  1.00  0.00           C  
HETATM   12  S   UNL     1       7.299  -0.211   0.484  1.00  0.00           S  
HETATM   13  N   UNL     1       9.504   1.234   0.918  1.00  0.00           N  
HETATM   14  C   UNL     1      11.655   2.290   1.466  1.00  0.00           C  
HETATM   15  C   UNL     1       9.806   3.443   0.217  1.00  0.00           C  
HETATM   16  C   UNL     1       8.533   3.415  -0.332  1.00  0.00           C  
HETATM   17  C   UNL     1       7.979   4.628  -1.034  1.00  0.00           C  
HETATM   18  N   UNL     1       7.811   2.311  -0.234  1.00  0.00           N  
HETATM   19  N   UNL     1       3.605  -0.549  -1.016  1.00  0.00           N  
HETATM   20  C   UNL     1       2.664  -1.572  -1.050  1.00  0.00           C  
HETATM   21  S   UNL     1       1.115  -1.454  -1.763  1.00  0.00           S  
HETATM   22  C   UNL     1       0.766  -3.119  -1.305  1.00  0.00           C  
HETATM   23  N   UNL     1       2.832  -2.751  -0.539  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.511  -3.866  -1.589  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.249  -2.416   0.575  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.353  -4.350   1.672  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.470  -4.534   0.625  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.121  -1.375   0.552  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.006  -1.245   1.666  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.844   0.398   2.297  1.00  0.00           N  
HETATM   31  N   UNL     1      -7.387   1.448   1.789  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.841   1.727   0.658  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.878   0.808   0.413  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.196   2.851  -0.212  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.124   2.099  -1.620  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.477   2.049  -1.899  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.377   2.701  -1.077  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.923   3.403   0.024  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.570   3.454   0.302  1.00  0.00           C  
HETATM   40  H   UNL     1       6.077   0.648  -1.400  1.00  0.00           H  
HETATM   41  H   UNL     1       5.398   1.221   0.143  1.00  0.00           H  
HETATM   42  H   UNL     1       1.870  -4.610  -0.272  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.935  -3.152   2.467  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.362  -1.920  -1.311  1.00  0.00           H  
HETATM   45  H   UNL     1      11.595   2.622   2.502  1.00  0.00           H  
HETATM   46  H   UNL     1      12.056   1.277   1.431  1.00  0.00           H  
HETATM   47  H   UNL     1      12.308   2.959   0.906  1.00  0.00           H  
HETATM   48  H   UNL     1      10.416   4.331   0.151  1.00  0.00           H  
HETATM   49  H   UNL     1       8.237   4.585  -2.093  1.00  0.00           H  
HETATM   50  H   UNL     1       6.895   4.648  -0.925  1.00  0.00           H  
HETATM   51  H   UNL     1       8.405   5.529  -0.593  1.00  0.00           H  
HETATM   52  H   UNL     1       3.404   0.308  -1.423  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.295  -4.929  -1.696  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.955  -3.491  -2.511  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.350  -5.035   2.508  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.774  -5.360   0.645  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.425  -1.119   2.579  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.622  -2.140   1.748  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.234   0.759  -0.452  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.629   2.785  -1.141  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.961   3.789   0.291  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.421   1.589  -2.263  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.831   1.501  -2.760  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.434   2.663  -1.295  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.626   3.913   0.666  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.216   4.000   1.165  1.00  0.00           H  
CONECT    1   11   12   40   41                                       
CONECT    2   12   13   13   18                                       
CONECT    3   13   14   15   15                                       
CONECT    4   22   22   23   42                                       
CONECT    5   27   27    9   24                                       
CONECT    6   26   26   25   43                                       
CONECT    7   33   33   30   29                                       
CONECT    8   35   34   39   39                                       
CONECT    9   25   25    5   44                                       
CONECT   10   11   11                                                 
CONECT   11   10   10   19    1                                       
CONECT   12    1    2                                                 
CONECT   13    2    2    3                                            
CONECT   14    3   45   46   47                                       
CONECT   15    3    3   16   48                                       
CONECT   16   18   18   15   17                                       
CONECT   17   16   49   50   51                                       
CONECT   18    2   16   16                                            
CONECT   19   20   11   52                                            
CONECT   20   21   23   23   19                                       
CONECT   21   22   20                                                 
CONECT   22   24   21    4    4                                       
CONECT   23    4   20   20                                            
CONECT   24    5   22   53   54                                       
CONECT   25    6   28    9    9                                       
CONECT   26    6    6   27   55                                       
CONECT   27   26    5    5   56                                       
CONECT   28   29   25                                                 
CONECT   29    7   28   57   58                                       
CONECT   30   31   31    7                                            
CONECT   31   32   30   30                                            
CONECT   32   34   31   33                                            
CONECT   33   32    7    7   59                                       
CONECT   34    8   32   60   61                                       
CONECT   35   36   36    8   62                                       
CONECT   36   35   35   37   63                                       
CONECT   37   36   38   38   64                                       
CONECT   38   37   37   39   65                                       
CONECT   39    8    8   38   66                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
