COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.994  -3.127  -1.312  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.822  -4.602   0.524  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.657  -3.420   1.028  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.781  -1.293   0.353  1.00  0.00           C  
HETATM    5  C   UNL     1       0.290  -3.298   0.826  1.00  0.00           C  
HETATM    6  C   UNL     1       1.594  -2.864   0.153  1.00  0.00           C  
HETATM    7  C   UNL     1       5.347  -0.486  -0.231  1.00  0.00           C  
HETATM    8  C   UNL     1       4.177  -0.415   0.447  1.00  0.00           C  
HETATM    9  C   UNL     1       6.264   0.661  -0.570  1.00  0.00           C  
HETATM   10  C   UNL     1       7.670   0.363  -0.046  1.00  0.00           C  
HETATM   11  C   UNL     1       8.601   1.527  -0.390  1.00  0.00           C  
HETATM   12  C   UNL     1      10.007   1.229   0.134  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.800   3.424  -0.893  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.981   3.368  -0.022  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.963   2.365  -0.571  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.900   2.029  -1.734  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.638   4.748   0.036  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.689   5.738   0.713  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.283   7.146   0.641  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.498   5.339   2.178  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.571  -4.066  -0.179  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.999  -2.507  -0.152  1.00  0.00           C  
HETATM   23  C   UNL     1       2.455  -2.096   1.158  1.00  0.00           C  
HETATM   24  N   UNL     1       3.704  -1.680   0.514  1.00  0.00           N  
HETATM   25  N   UNL     1       4.538  -2.456  -0.085  1.00  0.00           N  
HETATM   26  N   UNL     1       5.532  -1.775  -0.536  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.912   1.843   0.231  1.00  0.00           N  
HETATM   28  O   UNL     1      10.876   2.316  -0.187  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.827   0.362   0.713  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.492   1.292  -1.582  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.595  -5.373  -0.398  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.862  -3.906   1.623  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.792  -2.069  -0.779  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.200  -0.500  -0.759  1.00  0.00           O  
HETATM   35  S   UNL     1      -4.992   0.742  -0.372  1.00  0.00           S  
HETATM   36  H   UNL     1      -0.107  -2.709  -1.788  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.573  -3.684  -2.048  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.528  -5.228   1.366  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.085  -2.860   1.768  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.656  -1.630   0.909  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.144  -0.696   1.006  1.00  0.00           H  
HETATM   42  H   UNL     1       0.517  -3.941   1.676  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.252  -2.418   1.171  1.00  0.00           H  
HETATM   44  H   UNL     1       2.136  -3.744  -0.192  1.00  0.00           H  
HETATM   45  H   UNL     1       1.367  -2.220  -0.697  1.00  0.00           H  
HETATM   46  H   UNL     1       3.716   0.473   0.852  1.00  0.00           H  
HETATM   47  H   UNL     1       6.299   0.791  -1.652  1.00  0.00           H  
HETATM   48  H   UNL     1       5.890   1.575  -0.107  1.00  0.00           H  
HETATM   49  H   UNL     1       7.634   0.233   1.036  1.00  0.00           H  
HETATM   50  H   UNL     1       8.044  -0.550  -0.509  1.00  0.00           H  
HETATM   51  H   UNL     1       8.636   1.657  -1.472  1.00  0.00           H  
HETATM   52  H   UNL     1       8.227   2.440   0.073  1.00  0.00           H  
HETATM   53  H   UNL     1       9.971   1.099   1.216  1.00  0.00           H  
HETATM   54  H   UNL     1      10.381   0.315  -0.329  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.038   3.793  -1.801  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.061   3.962  -0.466  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.678   3.068   0.982  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.856   5.089  -0.977  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.566   4.685   0.605  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.725   5.723   0.205  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.608   7.850   1.126  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.417   7.430  -0.403  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.248   7.159   1.148  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.075   4.336   2.230  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.822   6.045   2.661  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.462   5.354   2.687  1.00  0.00           H  
HETATM   67  H   UNL     1       0.001  -4.898  -0.589  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.605  -3.056  -0.873  1.00  0.00           H  
HETATM   69  H   UNL     1       1.914  -1.216   1.503  1.00  0.00           H  
HETATM   70  H   UNL     1       2.682  -2.740   2.009  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.963   2.112   1.162  1.00  0.00           H  
HETATM   72  H   UNL     1      11.786   2.195   0.116  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.404  -5.744  -0.020  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.440  -3.210   1.965  1.00  0.00           H  
CONECT    1   33   21   36   37                                       
CONECT    2    3   31   21   38                                       
CONECT    3   32   22    2   39                                       
CONECT    4   22   34   40   41                                       
CONECT    5   21    6   42   43                                       
CONECT    6    5   23   44   45                                       
CONECT    7   26    8    8    9                                       
CONECT    8   24    7    7   46                                       
CONECT    9    7   10   47   48                                       
CONECT   10    9   11   49   50                                       
CONECT   11   10   12   51   52                                       
CONECT   12   11   28   53   54                                       
CONECT   13   14   55   56                                            
CONECT   14   17   13   15   57                                       
CONECT   15   14   27   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   18   14   58   59                                       
CONECT   18   19   17   20   60                                       
CONECT   19   18   61   62   63                                       
CONECT   20   18   64   65   66                                       
CONECT   21    1    2    5   67                                       
CONECT   22   33    3    4   68                                       
CONECT   23    6   24   69   70                                       
CONECT   24   23   25    8                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25    7                                            
CONECT   27   15   35   71                                            
CONECT   28   12   72                                                 
CONECT   29   35   35                                                 
CONECT   30   35   35                                                 
CONECT   31    2   73                                                 
CONECT   32    3   74                                                 
CONECT   33   22    1                                                 
CONECT   34    4   35                                                 
CONECT   35   34   27   29   29                                       
CONECT   35   30   30                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
