COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.099   4.274  -2.525  1.00  0.00           C  
HETATM    2  C   UNL     1       1.439   2.318  -0.210  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.988   0.264  -0.208  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.447  -0.642  -2.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.968  -1.860  -0.041  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.984  -2.975   0.372  1.00  0.00           C  
HETATM    7  C   UNL     1       4.449  -2.714   0.817  1.00  0.00           C  
HETATM    8  C   UNL     1       5.070  -2.071  -0.237  1.00  0.00           C  
HETATM    9  C   UNL     1       4.942  -0.703  -0.384  1.00  0.00           C  
HETATM   10  C   UNL     1       4.193   0.023   0.524  1.00  0.00           C  
HETATM   11  C   UNL     1       3.572  -0.620   1.578  1.00  0.00           C  
HETATM   12  C   UNL     1       3.700  -1.989   1.725  1.00  0.00           C  
HETATM   13  C   UNL     1       3.021   1.980  -2.164  1.00  0.00           C  
HETATM   14  C   UNL     1       3.335   3.386  -2.680  1.00  0.00           C  
HETATM   15  C   UNL     1       3.727   3.312  -4.157  1.00  0.00           C  
HETATM   16  C   UNL     1       0.606   1.035  -0.218  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.843   1.365   0.146  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.161  -0.655  -0.569  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.668  -2.427  -1.309  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.232  -4.100  -0.657  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.904   1.878   1.586  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.310   2.319   1.903  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.697   3.623   1.661  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.986   4.027   1.952  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.889   3.126   2.485  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.502   1.821   2.727  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.214   1.416   2.431  1.00  0.00           C  
HETATM   28  C   UNL     1       4.583  -4.207   0.974  1.00  0.00           C  
HETATM   29  C   UNL     1       3.616  -4.909   0.018  1.00  0.00           C  
HETATM   30  N   UNL     1       2.782   2.032  -0.720  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.665   0.158   0.022  1.00  0.00           N  
HETATM   32  O   UNL     1       3.602   2.268   1.595  1.00  0.00           O  
HETATM   33  O   UNL     1       5.210   2.213  -0.317  1.00  0.00           O  
HETATM   34  O   UNL     1       1.139   0.116   0.738  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.500   1.361  -0.313  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.743  -0.845  -0.321  1.00  0.00           O  
HETATM   37  O   UNL     1      -6.716  -1.316  -2.228  1.00  0.00           O  
HETATM   38  O   UNL     1      -5.757  -3.423  -1.817  1.00  0.00           O  
HETATM   39  O   UNL     1       5.923  -4.600   0.669  1.00  0.00           O  
HETATM   40  O   UNL     1       3.658  -6.319   0.248  1.00  0.00           O  
HETATM   41  S   UNL     1       4.030   1.767   0.336  1.00  0.00           S  
HETATM   42  H   UNL     1       1.237   3.780  -2.975  1.00  0.00           H  
HETATM   43  H   UNL     1       1.906   4.447  -1.466  1.00  0.00           H  
HETATM   44  H   UNL     1       2.271   5.228  -3.023  1.00  0.00           H  
HETATM   45  H   UNL     1       0.961   3.065  -0.844  1.00  0.00           H  
HETATM   46  H   UNL     1       1.510   2.699   0.809  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.519   0.382  -2.451  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.668  -1.184  -2.624  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.660  -1.589   0.757  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.956  -2.619   0.307  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.204  -3.323   1.381  1.00  0.00           H  
HETATM   52  H   UNL     1       5.655  -2.638  -0.946  1.00  0.00           H  
HETATM   53  H   UNL     1       5.428  -0.200  -1.207  1.00  0.00           H  
HETATM   54  H   UNL     1       2.987  -0.054   2.287  1.00  0.00           H  
HETATM   55  H   UNL     1       3.214  -2.491   2.548  1.00  0.00           H  
HETATM   56  H   UNL     1       2.132   1.599  -2.667  1.00  0.00           H  
HETATM   57  H   UNL     1       3.865   1.321  -2.369  1.00  0.00           H  
HETATM   58  H   UNL     1       4.160   3.808  -2.106  1.00  0.00           H  
HETATM   59  H   UNL     1       2.902   2.889  -4.731  1.00  0.00           H  
HETATM   60  H   UNL     1       3.951   4.313  -4.525  1.00  0.00           H  
HETATM   61  H   UNL     1       4.608   2.679  -4.268  1.00  0.00           H  
HETATM   62  H   UNL     1       0.639   0.586  -1.210  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.221   2.132  -0.530  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.509   0.269  -0.108  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.656  -2.835  -1.095  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.295  -4.599  -0.901  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.958  -4.818  -0.275  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.610   1.081   2.268  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.224   2.723   1.699  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.991   4.327   1.244  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.288   5.047   1.763  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.896   3.442   2.713  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.207   1.118   3.144  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.913   0.396   2.617  1.00  0.00           H  
HETATM   75  H   UNL     1       4.346  -4.488   2.000  1.00  0.00           H  
HETATM   76  H   UNL     1       2.604  -4.543   0.191  1.00  0.00           H  
HETATM   77  H   UNL     1       3.906  -4.700  -1.012  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.256  -0.718   0.107  1.00  0.00           H  
HETATM   79  H   UNL     1       1.089   0.426   1.653  1.00  0.00           H  
HETATM   80  H   UNL     1       6.201  -4.381  -0.231  1.00  0.00           H  
HETATM   81  H   UNL     1       3.069  -6.829  -0.325  1.00  0.00           H  
CONECT    1   14   42   43   44                                       
CONECT    2   16   30   45   46                                       
CONECT    3   31   36   35   35                                       
CONECT    4   37   18   47   48                                       
CONECT    5   18   19    6   49                                       
CONECT    6   20    5   50   51                                       
CONECT    7   28    8    8   12                                       
CONECT    8    7    7    9   52                                       
CONECT    9    8   10   10   53                                       
CONECT   10    9    9   11   41                                       
CONECT   11   12   12   10   54                                       
CONECT   12    7   11   11   55                                       
CONECT   13   14   30   56   57                                       
CONECT   14   15   13    1   58                                       
CONECT   15   14   59   60   61                                       
CONECT   16   34    2   17   62                                       
CONECT   17   16   21   31   63                                       
CONECT   18   36    4    5   64                                       
CONECT   19   37   38    5   65                                       
CONECT   20   38    6   66   67                                       
CONECT   21   17   22   68   69                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24   70                                       
CONECT   24   23   23   25   71                                       
CONECT   25   26   26   24   72                                       
CONECT   26   27   25   25   73                                       
CONECT   27   22   22   26   74                                       
CONECT   28   39   29    7   75                                       
CONECT   29   40   28   76   77                                       
CONECT   30   13    2   41                                            
CONECT   31   17    3   78                                            
CONECT   32   41   41                                                 
CONECT   33   41   41                                                 
CONECT   34   16   79                                                 
CONECT   35    3    3                                                 
CONECT   36    3   18                                                 
CONECT   37    4   19                                                 
CONECT   38   20   19                                                 
CONECT   39   28   80                                                 
CONECT   40   29   81                                                 
CONECT   41   30   10   33   33                                       
CONECT   41   32   32                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   34                                                      
CONECT   80   39                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
