COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.331   1.307   0.589  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.381   0.164   1.570  1.00  0.00           C  
HETATM    3  C   UNL     1       6.866  -0.583   0.580  1.00  0.00           C  
HETATM    4  C   UNL     1       5.627   0.118   0.019  1.00  0.00           C  
HETATM    5  C   UNL     1       4.461  -0.871  -0.033  1.00  0.00           C  
HETATM    6  C   UNL     1       3.222  -0.170  -0.594  1.00  0.00           C  
HETATM    7  C   UNL     1       2.074  -1.144  -0.646  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.244  -1.692  -1.159  1.00  0.00           C  
HETATM    9  C   UNL     1       0.456   2.409   0.852  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.483  -0.991  -1.719  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.074   1.249  -0.587  1.00  0.00           C  
HETATM   12  O   UNL     1      10.561  -3.217   0.129  1.00  0.00           O  
HETATM   13  C   UNL     1      10.330  -2.063   0.436  1.00  0.00           C  
HETATM   14  N   UNL     1       9.226  -1.690   1.098  1.00  0.00           N  
HETATM   15  C   UNL     1       9.261  -0.234   1.308  1.00  0.00           C  
HETATM   16  C   UNL     1      10.579   0.203   0.657  1.00  0.00           C  
HETATM   17  C   UNL     1      10.359   1.178  -0.517  1.00  0.00           C  
HETATM   18  S   UNL     1       8.648   0.778  -1.060  1.00  0.00           S  
HETATM   19  N   UNL     1      11.159  -1.050   0.149  1.00  0.00           N  
HETATM   20  C   UNL     1       8.032   0.406   0.632  1.00  0.00           C  
HETATM   21  N   UNL     1       0.872  -0.745  -1.108  1.00  0.00           N  
HETATM   22  N   UNL     1      -1.865   0.137  -0.859  1.00  0.00           N  
HETATM   23  C   UNL     1       0.503   3.459  -0.048  1.00  0.00           C  
HETATM   24  C   UNL     1       1.364   4.661   0.244  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.239   3.409  -1.216  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.024   2.309  -1.490  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.831   2.255  -2.762  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.132  -0.083  -0.367  1.00  0.00           C  
HETATM   29 AU   UNL     1      -4.035   1.114   0.790  1.00  0.00          Au  
HETATM   30  N   UNL     1      -3.669  -1.271  -0.811  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.929  -1.760  -0.483  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.093  -2.576   0.634  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.905  -2.930   1.491  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.345  -3.059   0.955  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.437  -2.734   0.169  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.802  -3.264   0.524  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.279  -1.924  -0.942  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.032  -1.431  -1.268  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.861  -0.549  -2.477  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.695  -1.939  -1.689  1.00  0.00           C  
HETATM   41  O   UNL     1       2.231  -2.287  -0.271  1.00  0.00           O  
HETATM   42  H   UNL     1      -1.114   0.383   2.346  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.666  -0.750   1.049  1.00  0.00           H  
HETATM   44  H   UNL     1       0.601   0.031   2.024  1.00  0.00           H  
HETATM   45  H   UNL     1       6.654  -0.948   1.584  1.00  0.00           H  
HETATM   46  H   UNL     1       7.130  -1.423  -0.064  1.00  0.00           H  
HETATM   47  H   UNL     1       5.363   0.957   0.662  1.00  0.00           H  
HETATM   48  H   UNL     1       5.840   0.483  -0.986  1.00  0.00           H  
HETATM   49  H   UNL     1       4.726  -1.711  -0.677  1.00  0.00           H  
HETATM   50  H   UNL     1       4.249  -1.236   0.971  1.00  0.00           H  
HETATM   51  H   UNL     1       2.958   0.670   0.049  1.00  0.00           H  
HETATM   52  H   UNL     1       3.435   0.195  -1.599  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.457  -2.057  -0.154  1.00  0.00           H  
HETATM   54  H   UNL     1       0.020  -2.532  -1.802  1.00  0.00           H  
HETATM   55  H   UNL     1       1.036   2.453   1.762  1.00  0.00           H  
HETATM   56  H   UNL     1       8.518  -2.284   1.392  1.00  0.00           H  
HETATM   57  H   UNL     1       9.267  -0.006   2.374  1.00  0.00           H  
HETATM   58  H   UNL     1      11.237   0.651   1.401  1.00  0.00           H  
HETATM   59  H   UNL     1      10.425   2.212  -0.178  1.00  0.00           H  
HETATM   60  H   UNL     1      11.074   0.987  -1.317  1.00  0.00           H  
HETATM   61  H   UNL     1      12.003  -1.130  -0.322  1.00  0.00           H  
HETATM   62  H   UNL     1       7.741   1.321   1.147  1.00  0.00           H  
HETATM   63  H   UNL     1       0.747   0.169  -1.408  1.00  0.00           H  
HETATM   64  H   UNL     1       2.361   4.502  -0.168  1.00  0.00           H  
HETATM   65  H   UNL     1       0.920   5.546  -0.211  1.00  0.00           H  
HETATM   66  H   UNL     1       1.435   4.804   1.322  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.199   4.231  -1.915  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.206   1.879  -3.572  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.684   1.591  -2.623  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.185   3.255  -3.010  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.790  -2.185   2.279  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.060  -3.911   1.939  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.006  -2.949   0.876  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.473  -3.691   1.821  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.303  -2.562   1.190  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.392  -3.387  -0.385  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.700  -4.228   1.022  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.134  -1.669  -1.550  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.995   0.493  -2.189  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.860  -0.686  -2.888  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.602  -0.817  -3.230  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.108  -2.060  -2.690  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.296  -0.647  -2.736  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.411  -2.906  -1.275  1.00  0.00           H  
CONECT    1   11   11    9    2                                       
CONECT    2    1   42   43   44                                       
CONECT    3   20    4   45   46                                       
CONECT    4    3    5   47   48                                       
CONECT    5    4    6   49   50                                       
CONECT    6    5    7   51   52                                       
CONECT    7   41   41    6   21                                       
CONECT    8   10   21   53   54                                       
CONECT    9   23   23    1   55                                       
CONECT   10   40   22    8   83                                       
CONECT   11   26   22    1    1                                       
CONECT   12   13   13                                                 
CONECT   13   19   12   12   14                                       
CONECT   14   13   15   56                                            
CONECT   15   16   14   20   57                                       
CONECT   16   19   17   15   58                                       
CONECT   17   16   18   59   60                                       
CONECT   18   17   20                                                 
CONECT   19   16   13   61                                            
CONECT   20   15   18    3   62                                       
CONECT   21    7    8   63                                            
CONECT   22   10   11   28                                            
CONECT   23   25   24    9    9                                       
CONECT   24   23   64   65   66                                       
CONECT   25   26   26   23   67                                       
CONECT   26   27   25   25   11                                       
CONECT   27   26   68   69   70                                       
CONECT   28   30   29   29   22                                       
CONECT   29   28   28                                                 
CONECT   30   31   40   28                                            
CONECT   31   38   30   32   32                                       
CONECT   32   31   31   34   33                                       
CONECT   33   32   71   72   73                                       
CONECT   34   35   35   32   74                                       
CONECT   35   37   36   34   34                                       
CONECT   36   35   75   76   77                                       
CONECT   37   38   38   35   78                                       
CONECT   38   39   37   37   31                                       
CONECT   39   38   79   80   81                                       
CONECT   40   30   10   82   84                                       
CONECT   41    7    7                                                 
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   14                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   27                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   10                                                      
CONECT   84   40                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
