COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.939   3.697  -0.900  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.116   1.890  -3.489  1.00  0.00           C  
HETATM    3  C   UNL     1       0.037  -0.856  -2.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.000  -3.816   0.503  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.235  -4.880   0.241  1.00  0.00           C  
HETATM    6  C   UNL     1       1.531  -0.654  -2.323  1.00  0.00           C  
HETATM    7  C   UNL     1       1.437  -0.410   0.124  1.00  0.00           C  
HETATM    8  C   UNL     1       4.274   0.140  -0.062  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.752  -3.649   1.797  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.788  -2.167   2.176  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.222  -1.764   2.529  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.224  -0.347   3.108  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.159   0.518   2.293  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.247   0.097   1.982  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.778   1.750   1.925  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.721   2.530   1.144  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.026   3.782   0.603  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.046   2.884  -1.467  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.955   2.790  -2.924  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.357   1.023  -2.663  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.410   1.142  -1.454  1.00  0.00           O  
HETATM   22  O   UNL     1      -0.577   0.068  -3.210  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.289  -2.285  -2.744  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.361  -3.177  -1.532  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.043  -2.924  -0.466  1.00  0.00           N  
HETATM   26  S   UNL     1       0.451  -4.673  -1.369  1.00  0.00           S  
HETATM   27  C   UNL     1       2.180  -0.402  -1.186  1.00  0.00           C  
HETATM   28  C   UNL     1       3.617  -0.116  -1.212  1.00  0.00           C  
HETATM   29  C   UNL     1       5.711   0.425  -0.088  1.00  0.00           C  
HETATM   30  C   UNL     1       6.360   0.678   1.048  1.00  0.00           C  
HETATM   31  C   UNL     1       7.807   1.097   1.012  1.00  0.00           C  
HETATM   32  N   UNL     1       7.970   2.362   1.740  1.00  0.00           N  
HETATM   33  C   UNL     1       7.693   2.184   3.172  1.00  0.00           C  
HETATM   34  C   UNL     1       9.311   2.923   1.528  1.00  0.00           C  
HETATM   35  C   UNL     1       6.454   0.433  -1.399  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.862   4.524  -1.756  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.898   2.944   2.031  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.764  -2.700   3.523  1.00  0.00           N  
HETATM   39  H   UNL     1      -2.038   1.822  -4.563  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.343  -0.687  -1.300  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.066  -5.718   0.900  1.00  0.00           H  
HETATM   42  H   UNL     1       2.075  -0.715  -3.254  1.00  0.00           H  
HETATM   43  H   UNL     1       1.382  -1.430   0.504  1.00  0.00           H  
HETATM   44  H   UNL     1       1.962   0.218   0.844  1.00  0.00           H  
HETATM   45  H   UNL     1       0.429  -0.024  -0.027  1.00  0.00           H  
HETATM   46  H   UNL     1       3.742   0.133   0.877  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.770  -4.019   1.676  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.252  -4.214   2.584  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.141  -1.996   3.036  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.439  -1.569   1.335  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.838  -1.790   1.630  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.565  -0.378   4.143  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.214   0.062   3.070  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.088   1.930   0.312  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.022   3.850   1.022  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.598   4.666   0.885  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.378   2.303  -0.848  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.553   3.436  -3.547  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.249  -2.297  -3.261  1.00  0.00           H  
HETATM   60  H   UNL     1       0.489  -2.647  -3.415  1.00  0.00           H  
HETATM   61  H   UNL     1       4.149  -0.110  -2.152  1.00  0.00           H  
HETATM   62  H   UNL     1       5.850   0.582   1.995  1.00  0.00           H  
HETATM   63  H   UNL     1       8.421   0.326   1.480  1.00  0.00           H  
HETATM   64  H   UNL     1       8.121   1.231  -0.024  1.00  0.00           H  
HETATM   65  H   UNL     1       8.385   1.450   3.587  1.00  0.00           H  
HETATM   66  H   UNL     1       7.821   3.135   3.688  1.00  0.00           H  
HETATM   67  H   UNL     1       6.670   1.833   3.304  1.00  0.00           H  
HETATM   68  H   UNL     1       9.462   3.110   0.465  1.00  0.00           H  
HETATM   69  H   UNL     1       9.403   3.859   2.079  1.00  0.00           H  
HETATM   70  H   UNL     1      10.061   2.217   1.884  1.00  0.00           H  
HETATM   71  H   UNL     1       6.509   1.453  -1.779  1.00  0.00           H  
HETATM   72  H   UNL     1       7.462   0.047  -1.247  1.00  0.00           H  
HETATM   73  H   UNL     1       5.929  -0.195  -2.118  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.403   3.871  -2.441  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.572   5.052  -1.120  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.278   5.246  -2.327  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.531   3.544   2.864  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.606   3.530   1.445  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.394   2.053   2.415  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.710  -2.455   3.772  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.713  -3.651   3.189  1.00  0.00           H  
CONECT    1   17   18   18   36                                       
CONECT    2   20   19   19   39                                       
CONECT    3    6   22   23   40                                       
CONECT    4   25    9    5    5                                       
CONECT    5    4    4   26   41                                       
CONECT    6   27   27    3   42                                       
CONECT    7   27   43   44   45                                       
CONECT    8   29   28   28   46                                       
CONECT    9   10    4   47   48                                       
CONECT   10   11    9   49   50                                       
CONECT   11   12   10   38   51                                       
CONECT   12   13   11   52   53                                       
CONECT   13   15   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13                                                 
CONECT   16   37   17   15   54                                       
CONECT   17   16    1   55   56                                       
CONECT   18    1    1   19   57                                       
CONECT   19   18    2    2   58                                       
CONECT   20   21   21   22    2                                       
CONECT   21   20   20                                                 
CONECT   22    3   20                                                 
CONECT   23    3   24   59   60                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24    4                                            
CONECT   26   24    5                                                 
CONECT   27    7   28    6    6                                       
CONECT   28    8    8   27   61                                       
CONECT   29   30   30    8   35                                       
CONECT   30   31   29   29   62                                       
CONECT   31   32   30   63   64                                       
CONECT   32   34   33   31                                            
CONECT   33   32   65   66   67                                       
CONECT   34   32   68   69   70                                       
CONECT   35   29   71   72   73                                       
CONECT   36    1   74   75   76                                       
CONECT   37   16   77   78   79                                       
CONECT   38   11   80   81                                            
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   38                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
