COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.720  -3.223  -0.507  1.00  0.00           N  
HETATM    2  N   UNL     1       3.154  -2.024  -0.666  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.353  -2.022  -0.069  1.00  0.00           C  
HETATM    4  C   UNL     1       0.166  -4.065  -1.008  1.00  0.00           C  
HETATM    5  C   UNL     1       1.912  -2.599  -0.695  1.00  0.00           C  
HETATM    6  C   UNL     1       3.073  -0.758  -0.127  1.00  0.00           C  
HETATM    7  C   UNL     1       4.214   0.163   0.062  1.00  0.00           C  
HETATM    8  C   UNL     1       5.075   2.283   0.801  1.00  0.00           C  
HETATM    9  C   UNL     1       5.501  -0.222  -0.322  1.00  0.00           C  
HETATM   10  C   UNL     1       8.656  -0.619   0.348  1.00  0.00           C  
HETATM   11  C   UNL     1       8.598   1.860   0.016  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.556  -0.296   0.538  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.170   0.821   1.254  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.965   1.946   1.253  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.534   0.867  -0.181  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.925   2.302  -0.577  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.969   3.239   0.642  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.681  -0.356  -0.708  1.00  0.00           O  
HETATM   19  S   UNL     1      -7.020   0.828  -1.134  1.00  0.00           S  
HETATM   20  O   UNL     1      -6.583   0.985  -2.477  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.915   3.458  -0.525  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.162   1.978   0.540  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.735  -0.268  -0.178  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.694  -1.532   0.535  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.934  -2.325   1.821  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.695  -1.418   3.030  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.375  -2.837   1.844  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.284  -1.144   0.456  1.00  0.00           N  
HETATM   29  C   UNL     1       1.004  -1.668  -0.153  1.00  0.00           C  
HETATM   30  N   UNL     1       1.446  -3.777  -1.106  1.00  0.00           N  
HETATM   31  C   UNL     1       1.785  -0.489   0.204  1.00  0.00           C  
HETATM   32  C   UNL     1       6.554   0.641  -0.142  1.00  0.00           C  
HETATM   33  C   UNL     1       8.032   0.533  -0.442  1.00  0.00           C  
HETATM   34  C   UNL     1       8.261   0.338  -1.942  1.00  0.00           C  
HETATM   35  O   UNL     1       9.760   2.205  -0.040  1.00  0.00           O  
HETATM   36  N   UNL     1       7.574   2.582   0.500  1.00  0.00           N  
HETATM   37  C   UNL     1       6.360   1.899   0.418  1.00  0.00           C  
HETATM   38  C   UNL     1       4.011   1.427   0.620  1.00  0.00           C  
HETATM   39  H   UNL     1       3.969  -2.445  -0.981  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.175  -5.030  -1.352  1.00  0.00           H  
HETATM   41  H   UNL     1       4.912   3.257   1.237  1.00  0.00           H  
HETATM   42  H   UNL     1       5.667  -1.196  -0.759  1.00  0.00           H  
HETATM   43  H   UNL     1       8.464  -0.476   1.412  1.00  0.00           H  
HETATM   44  H   UNL     1       8.218  -1.562   0.023  1.00  0.00           H  
HETATM   45  H   UNL     1       9.732  -0.638   0.173  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.246   0.812   1.814  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.656   2.816   1.814  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.723   2.537  -1.282  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.345   2.129   0.414  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.286   4.086   0.700  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.554   3.204   1.561  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.346   3.487  -1.455  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.446   4.401  -0.392  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.040  -1.137  -0.741  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.950  -2.151  -0.326  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.247  -3.171   1.860  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.382  -0.572   2.991  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.866  -1.983   3.947  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.668  -1.054   3.014  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.062  -1.991   1.805  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.545  -3.482   0.983  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.546  -3.401   2.761  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.003  -0.271   0.771  1.00  0.00           H  
HETATM   64  H   UNL     1       1.410   0.422   0.647  1.00  0.00           H  
HETATM   65  H   UNL     1       7.794  -0.593  -2.263  1.00  0.00           H  
HETATM   66  H   UNL     1       7.821   1.173  -2.489  1.00  0.00           H  
HETATM   67  H   UNL     1       9.332   0.296  -2.144  1.00  0.00           H  
HETATM   68  H   UNL     1       7.667   3.477   0.861  1.00  0.00           H  
HETATM   69  H   UNL     1       3.018   1.733   0.914  1.00  0.00           H  
CONECT    1    3    3    4                                            
CONECT    2    5    6   39                                            
CONECT    3   28    1    1   29                                       
CONECT    4    1   30   30   40                                       
CONECT    5   30    2   29   29                                       
CONECT    6    2    7   31   31                                       
CONECT    7    6   38   38    9                                       
CONECT    8   38   37   37   41                                       
CONECT    9   32   32    7   42                                       
CONECT   10   33   43   44   45                                       
CONECT   11   33   35   35   36                                       
CONECT   12   24   13   13   23                                       
CONECT   13   12   12   14   46                                       
CONECT   14   13   22   22   47                                       
CONECT   15   22   23   23   19                                       
CONECT   16   19   21   48   49                                       
CONECT   17   21   22   50   51                                       
CONECT   18   19   19                                                 
CONECT   19   15   20   20   18                                       
CONECT   19   18   16                                                 
CONECT   20   19   19                                                 
CONECT   21   16   17   52   53                                       
CONECT   22   14   14   15   17                                       
CONECT   23   15   15   12   54                                       
CONECT   24   25   28   12   55                                       
CONECT   25   27   26   24   56                                       
CONECT   26   25   57   58   59                                       
CONECT   27   25   60   61   62                                       
CONECT   28   24    3   63                                            
CONECT   29   31    3    5    5                                       
CONECT   30    4    4    5                                            
CONECT   31    6    6   29   64                                       
CONECT   32   37    9    9   33                                       
CONECT   33   32   10   34   11                                       
CONECT   34   33   65   66   67                                       
CONECT   35   11   11                                                 
CONECT   36   11   37   68                                            
CONECT   37    8    8   32   36                                       
CONECT   38    7    7    8   69                                       
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
