COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.021   0.065  12.140  1.00  0.00           C  
HETATM    2  C   UNL     1       2.066   0.547  13.592  1.00  0.00           C  
HETATM    3  C   UNL     1       0.888   0.781  11.401  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.289   1.014   9.210  1.00  0.00           C  
HETATM    5  C   UNL     1       0.843   0.299   9.949  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.097  -1.235  -6.065  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.753   0.593  -5.672  1.00  0.00           C  
HETATM    8  N   UNL     1       1.912   0.778  -6.260  1.00  0.00           N  
HETATM    9  C   UNL     1       0.809  -0.020  -5.708  1.00  0.00           C  
HETATM   10  C   UNL     1       2.178   0.256  -7.607  1.00  0.00           C  
HETATM   11  C   UNL     1       3.099   0.477  -5.449  1.00  0.00           C  
HETATM   12  O   UNL     1       4.560   0.598  -7.372  1.00  0.00           O  
HETATM   13  C   UNL     1       4.326   1.141  -6.073  1.00  0.00           C  
HETATM   14  C   UNL     1       3.428   0.926  -8.177  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.112  -0.551   7.441  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.304   0.151  -5.455  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.287   2.250  -3.303  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.007   0.098  -3.955  1.00  0.00           C  
HETATM   19  C   UNL     1       0.479   0.472  -4.298  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.294  -1.702  -2.889  1.00  0.00           S  
HETATM   21  N   UNL     1      -0.620  -0.323  -3.747  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.211   1.465  -3.354  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.612   3.100  -2.308  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.420   1.816  -2.873  1.00  0.00           N  
HETATM   25  O   UNL     1       0.999  -2.118  -3.303  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.141  -1.755   3.450  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.459  -0.795   3.751  1.00  0.00           C  
HETATM   28  N   UNL     1       0.257  -0.155   2.806  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.416  -0.330   5.153  1.00  0.00           C  
HETATM   30  C   UNL     1       0.399   1.203   6.812  1.00  0.00           C  
HETATM   31  C   UNL     1       0.366   0.771   5.502  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.157  -0.990   6.134  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.333   0.540   7.780  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.240  -1.239  -0.371  1.00  0.00           C  
HETATM   35  C   UNL     1       0.127  -0.520   1.462  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.130  -1.242  -1.196  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.474  -2.490  -2.962  1.00  0.00           O  
HETATM   38  C   UNL     1       1.108  -0.886  -0.694  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.115  -0.879   0.956  1.00  0.00           C  
HETATM   40  C   UNL     1       1.239  -0.520   0.630  1.00  0.00           C  
HETATM   41  H   UNL     1       2.970   0.288  11.654  1.00  0.00           H  
HETATM   42  H   UNL     1       1.846  -1.010  12.120  1.00  0.00           H  
HETATM   43  H   UNL     1       2.873   0.037  14.119  1.00  0.00           H  
HETATM   44  H   UNL     1       2.241   1.622  13.613  1.00  0.00           H  
HETATM   45  H   UNL     1       1.117   0.323  14.079  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.060   0.557  11.888  1.00  0.00           H  
HETATM   47  H   UNL     1       1.063   1.856  11.422  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.238   0.791   9.697  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.114   2.090   9.231  1.00  0.00           H  
HETATM   50  H   UNL     1       1.793   0.522   9.463  1.00  0.00           H  
HETATM   51  H   UNL     1       0.668  -0.776   9.929  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.308  -1.198  -7.134  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.065  -1.550  -5.910  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.769  -1.947  -5.586  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.425  -0.118  -5.194  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.900   1.582  -5.238  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.964   0.631  -6.741  1.00  0.00           H  
HETATM   58  H   UNL     1       1.106  -1.068  -5.666  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.068   0.083  -6.344  1.00  0.00           H  
HETATM   60  H   UNL     1       2.335  -0.821  -7.554  1.00  0.00           H  
HETATM   61  H   UNL     1       1.326   0.467  -8.253  1.00  0.00           H  
HETATM   62  H   UNL     1       2.954   0.857  -4.438  1.00  0.00           H  
HETATM   63  H   UNL     1       3.249  -0.601  -5.413  1.00  0.00           H  
HETATM   64  H   UNL     1       5.197   0.961  -5.443  1.00  0.00           H  
HETATM   65  H   UNL     1       4.155   2.215  -6.155  1.00  0.00           H  
HETATM   66  H   UNL     1       3.594   0.577  -9.196  1.00  0.00           H  
HETATM   67  H   UNL     1       3.289   2.007  -8.183  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.685  -1.061   8.201  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.631   0.863  -5.934  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.679  -0.612  -3.476  1.00  0.00           H  
HETATM   71  H   UNL     1       0.182   1.520  -4.339  1.00  0.00           H  
HETATM   72  H   UNL     1       1.357   0.368  -3.661  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.536   3.147  -2.028  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.159   1.189  -2.913  1.00  0.00           H  
HETATM   75  H   UNL     1       0.863   0.558   3.058  1.00  0.00           H  
HETATM   76  H   UNL     1       1.004   2.055   7.083  1.00  0.00           H  
HETATM   77  H   UNL     1       0.943   1.286   4.748  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.764  -1.843   5.870  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.206  -1.518  -0.765  1.00  0.00           H  
HETATM   80  H   UNL     1       1.973  -0.890  -1.341  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.982  -0.877   1.599  1.00  0.00           H  
HETATM   82  H   UNL     1       2.206  -0.242   1.021  1.00  0.00           H  
CONECT    1    2    3   41   42                                       
CONECT    2    1   43   44   45                                       
CONECT    3    1    5   46   47                                       
CONECT    4    5   33   48   49                                       
CONECT    5    3    4   50   51                                       
CONECT    6   16   52   53   54                                       
CONECT    7   16   55   56   57                                       
CONECT    8    9   10   11                                            
CONECT    9    8   19   58   59                                       
CONECT   10    8   14   60   61                                       
CONECT   11    8   13   62   63                                       
CONECT   12   13   14                                                 
CONECT   13   11   12   64   65                                       
CONECT   14   10   12   66   67                                       
CONECT   15   32   32   33   68                                       
CONECT   16    6    7   18   69                                       
CONECT   17   22   22                                                 
CONECT   18   16   21   22   70                                       
CONECT   19    9   21   71   72                                       
CONECT   20   21   25   25   36                                       
CONECT   20   37   37                                                 
CONECT   21   18   19   20                                            
CONECT   22   17   17   18   24                                       
CONECT   23   24   73                                                 
CONECT   24   22   23   74                                            
CONECT   25   20   20                                                 
CONECT   26   27   27                                                 
CONECT   27   26   26   28   29                                       
CONECT   28   27   35   75                                            
CONECT   29   27   31   31   32                                       
CONECT   30   31   33   33   76                                       
CONECT   31   29   29   30   77                                       
CONECT   32   15   15   29   78                                       
CONECT   33    4   15   30   30                                       
CONECT   34   36   36   39   79                                       
CONECT   35   28   39   39   40                                       
CONECT   36   20   34   34   38                                       
CONECT   37   20   20                                                 
CONECT   38   36   40   40   80                                       
CONECT   39   34   35   35   81                                       
CONECT   40   35   38   38   82                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   28                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
