COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.908   0.528   0.612  1.00  0.00           C  
HETATM    2  N   UNL     1      -8.476  -0.868   0.463  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.591  -1.793   0.710  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.885  -1.099  -0.861  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.585  -0.301  -0.985  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.627  -0.803  -0.051  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.410  -0.200  -0.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.147   0.858  -0.892  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.914   1.472  -0.876  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.433  -0.640   0.853  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.197  -0.031   0.876  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.927   1.030   0.008  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.604   1.684   0.029  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.386   3.043   0.057  1.00  0.00           N  
HETATM   15  C   UNL     1       0.957   3.308   0.071  1.00  0.00           C  
HETATM   16  N   UNL     1       1.674   4.431   0.098  1.00  0.00           N  
HETATM   17  C   UNL     1       2.989   4.391   0.107  1.00  0.00           C  
HETATM   18  N   UNL     1       3.668   3.259   0.089  1.00  0.00           N  
HETATM   19  C   UNL     1       1.640   2.078   0.051  1.00  0.00           C  
HETATM   20  C   UNL     1       0.612   1.032   0.029  1.00  0.00           C  
HETATM   21  C   UNL     1       0.835  -0.431   0.009  1.00  0.00           C  
HETATM   22  C   UNL     1       0.503  -1.174  -1.124  1.00  0.00           C  
HETATM   23  C   UNL     1       0.713  -2.538  -1.137  1.00  0.00           C  
HETATM   24  C   UNL     1       1.251  -3.168  -0.029  1.00  0.00           C  
HETATM   25  C   UNL     1       1.582  -2.436   1.097  1.00  0.00           C  
HETATM   26  C   UNL     1       1.383  -1.071   1.120  1.00  0.00           C  
HETATM   27  C   UNL     1       3.042   2.085   0.061  1.00  0.00           C  
HETATM   28  N   UNL     1       3.757   0.901   0.042  1.00  0.00           N  
HETATM   29  C   UNL     1       5.222   0.929   0.053  1.00  0.00           C  
HETATM   30  C   UNL     1       5.760  -0.503   0.028  1.00  0.00           C  
HETATM   31  S   UNL     1       5.198  -1.383  -1.475  1.00  0.00           S  
HETATM   32  C   UNL     1       4.904  -3.060  -0.845  1.00  0.00           C  
HETATM   33  C   UNL     1       5.278  -3.157   0.638  1.00  0.00           C  
HETATM   34  S   UNL     1       5.013  -1.504   1.375  1.00  0.00           S  
HETATM   35  H   UNL     1      -9.277   0.689   1.625  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.063   1.191   0.424  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.703   0.741  -0.103  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.361  -1.644  -0.047  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.229  -2.820   0.663  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.011  -1.600   1.698  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.673  -2.161  -0.985  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.584  -0.776  -1.633  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.192  -0.401  -1.997  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.782   0.750  -0.774  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.911   1.199  -1.576  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.711   2.295  -1.546  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.643  -1.460   1.524  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.439  -0.374   1.564  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.084   3.716   0.066  1.00  0.00           H  
HETATM   50  H   UNL     1       3.535   5.322   0.129  1.00  0.00           H  
HETATM   51  H   UNL     1       0.082  -0.683  -1.990  1.00  0.00           H  
HETATM   52  H   UNL     1       0.456  -3.114  -2.013  1.00  0.00           H  
HETATM   53  H   UNL     1       1.413  -4.236  -0.044  1.00  0.00           H  
HETATM   54  H   UNL     1       2.002  -2.934   1.959  1.00  0.00           H  
HETATM   55  H   UNL     1       1.647  -0.501   1.999  1.00  0.00           H  
HETATM   56  H   UNL     1       3.289   0.052   0.022  1.00  0.00           H  
HETATM   57  H   UNL     1       5.581   1.467  -0.824  1.00  0.00           H  
HETATM   58  H   UNL     1       5.569   1.432   0.956  1.00  0.00           H  
HETATM   59  H   UNL     1       6.847  -0.508   0.096  1.00  0.00           H  
HETATM   60  H   UNL     1       3.850  -3.310  -0.967  1.00  0.00           H  
HETATM   61  H   UNL     1       5.507  -3.768  -1.414  1.00  0.00           H  
HETATM   62  H   UNL     1       4.641  -3.890   1.133  1.00  0.00           H  
HETATM   63  H   UNL     1       6.324  -3.447   0.738  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    4    3    1                                            
CONECT    3    2   38   39   40                                       
CONECT    4    5    2   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7                                                 
CONECT    7    6    8    8   10                                       
CONECT    8    7    7    9   45                                       
CONECT    9    8   12   12   46                                       
CONECT   10    7   11   11   47                                       
CONECT   11   10   10   12   48                                       
CONECT   12    9    9   11   13                                       
CONECT   13   12   14   20   20                                       
CONECT   14   13   15   49                                            
CONECT   15   14   16   16   19                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   18   50                                       
CONECT   18   17   17   27                                            
CONECT   19   15   20   27   27                                       
CONECT   20   13   13   19   21                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   51                                       
CONECT   23   22   24   24   52                                       
CONECT   24   23   23   25   53                                       
CONECT   25   26   26   24   54                                       
CONECT   26   21   25   25   55                                       
CONECT   27   19   19   18   28                                       
CONECT   28   27   29   56                                            
CONECT   29   28   30   57   58                                       
CONECT   30   29   31   34   59                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   60   61                                       
CONECT   33   32   34   62   63                                       
CONECT   34   30   33                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   17                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
