COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.301  -1.497   0.329  1.00  0.00           N  
HETATM    2  N   UNL     1      -1.515   2.721   1.056  1.00  0.00           N  
HETATM    3  C   UNL     1       6.433  -2.153   1.316  1.00  0.00           C  
HETATM    4  C   UNL     1       5.040  -2.277   0.756  1.00  0.00           C  
HETATM    5  C   UNL     1       4.683  -3.404   0.037  1.00  0.00           C  
HETATM    6  C   UNL     1       3.406  -3.526  -0.481  1.00  0.00           C  
HETATM    7  C   UNL     1       2.479  -2.523  -0.284  1.00  0.00           C  
HETATM    8  C   UNL     1       1.845  -0.305   0.657  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.309   1.529   0.502  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.679   0.458  -0.547  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.383  -1.582  -1.571  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.913   0.562   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.505  -1.444  -0.093  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.697  -2.744  -0.230  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.618   2.476  -1.522  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.294   1.696  -2.797  1.00  0.00           C  
HETATM   17  C   UNL     1       0.950   1.635   1.361  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.841   1.097   0.402  1.00  0.00           O  
HETATM   19  S   UNL     1      -8.422  -0.225   0.711  1.00  0.00           S  
HETATM   20  O   UNL     1      -8.135  -0.614   2.047  1.00  0.00           O  
HETATM   21  C   UNL     1      -7.628  -2.554  -1.292  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.635  -1.479  -0.965  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.415  -0.624  -1.365  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.885  -0.408  -0.139  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.632   1.519  -0.328  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.555   3.554  -1.299  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.317   0.887  -0.193  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.555   3.338   1.721  1.00  0.00           C  
HETATM   29  N   UNL     1       0.646   2.824   1.878  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.042   0.939   0.642  1.00  0.00           C  
HETATM   31  C   UNL     1       0.567  -0.310   0.201  1.00  0.00           C  
HETATM   32  N   UNL     1       2.079   0.861   1.354  1.00  0.00           N  
HETATM   33  C   UNL     1       2.833  -1.384   0.441  1.00  0.00           C  
HETATM   34  C   UNL     1       4.121  -1.270   0.966  1.00  0.00           C  
HETATM   35  C   UNL     1       8.711  -1.569   0.736  1.00  0.00           C  
HETATM   36  C   UNL     1       9.595  -1.040  -0.398  1.00  0.00           C  
HETATM   37  C   UNL     1       6.883  -0.108   0.100  1.00  0.00           C  
HETATM   38  C   UNL     1       7.693   0.482  -1.060  1.00  0.00           C  
HETATM   39  N   UNL     1       9.123   0.302  -0.770  1.00  0.00           N  
HETATM   40  C   UNL     1       9.980   1.341  -0.844  1.00  0.00           C  
HETATM   41  O   UNL     1      11.156   1.175  -0.601  1.00  0.00           O  
HETATM   42  C   UNL     1       9.475   2.708  -1.227  1.00  0.00           C  
HETATM   43  H   UNL     1       6.824  -3.145   1.542  1.00  0.00           H  
HETATM   44  H   UNL     1       6.406  -1.557   2.228  1.00  0.00           H  
HETATM   45  H   UNL     1       5.405  -4.191  -0.122  1.00  0.00           H  
HETATM   46  H   UNL     1       3.134  -4.408  -1.042  1.00  0.00           H  
HETATM   47  H   UNL     1       1.483  -2.619  -0.689  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.169  -2.426  -2.210  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.124   1.406   0.702  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.801  -1.086  -1.078  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.388  -1.618   0.521  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.225  -2.982   0.724  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.362  -3.557  -0.521  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.596   2.947  -1.622  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.052   0.928  -2.956  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.284   2.378  -3.648  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.316   1.226  -2.697  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.093  -3.495  -1.419  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.115  -2.301  -2.234  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.450  -0.719  -1.841  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.863   2.075   0.581  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.545   4.235  -2.150  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.785   4.110  -0.391  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.576   3.083  -1.199  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.154   0.018  -0.592  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.765   4.304   2.155  1.00  0.00           H  
HETATM   67  H   UNL     1       0.092  -1.089  -0.378  1.00  0.00           H  
HETATM   68  H   UNL     1       2.919   1.098   1.777  1.00  0.00           H  
HETATM   69  H   UNL     1       4.399  -0.393   1.531  1.00  0.00           H  
HETATM   70  H   UNL     1       8.863  -0.963   1.629  1.00  0.00           H  
HETATM   71  H   UNL     1       8.975  -2.605   0.951  1.00  0.00           H  
HETATM   72  H   UNL     1      10.630  -0.984  -0.059  1.00  0.00           H  
HETATM   73  H   UNL     1       9.526  -1.707  -1.257  1.00  0.00           H  
HETATM   74  H   UNL     1       5.822  -0.083  -0.147  1.00  0.00           H  
HETATM   75  H   UNL     1       7.060   0.478   1.002  1.00  0.00           H  
HETATM   76  H   UNL     1       7.438  -0.037  -1.984  1.00  0.00           H  
HETATM   77  H   UNL     1       7.467   1.543  -1.162  1.00  0.00           H  
HETATM   78  H   UNL     1       9.179   3.251  -0.329  1.00  0.00           H  
HETATM   79  H   UNL     1      10.265   3.256  -1.740  1.00  0.00           H  
HETATM   80  H   UNL     1       8.615   2.605  -1.889  1.00  0.00           H  
CONECT    1   35    3   37                                            
CONECT    2    9   28   28                                            
CONECT    3    1    4   43   44                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   45                                       
CONECT    6    5    7    7   46                                       
CONECT    7    6    6   33   47                                       
CONECT    8   33   31   31   32                                       
CONECT    9   30   30   27    2                                       
CONECT   10   25   23   23   12                                       
CONECT   11   23   22   22   48                                       
CONECT   12   24   24   10   49                                       
CONECT   13   19   14   50   51                                       
CONECT   14   13   21   52   53                                       
CONECT   15   25   26   16   54                                       
CONECT   16   15   55   56   57                                       
CONECT   17   29   29   30   32                                       
CONECT   18   19   19                                                 
CONECT   19   24   20   20   18                                       
CONECT   19   18   13                                                 
CONECT   20   19   19                                                 
CONECT   21   14   22   58   59                                       
CONECT   22   11   11   24   21                                       
CONECT   23   10   10   11   60                                       
CONECT   24   22   12   12   19                                       
CONECT   25   27   10   15   61                                       
CONECT   26   15   62   63   64                                       
CONECT   27    9   25   65                                            
CONECT   28    2    2   29   66                                       
CONECT   29   28   17   17                                            
CONECT   30   31    9    9   17                                       
CONECT   31    8    8   30   67                                       
CONECT   32   17    8   68                                            
CONECT   33    7    8   34   34                                       
CONECT   34   33   33    4   69                                       
CONECT   35   36    1   70   71                                       
CONECT   36   39   35   72   73                                       
CONECT   37    1   38   74   75                                       
CONECT   38   37   39   76   77                                       
CONECT   39   40   36   38                                            
CONECT   40   42   41   41   39                                       
CONECT   41   40   40                                                 
CONECT   42   40   78   79   80                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   38                                                      
CONECT   78   42                                                      
CONECT   79   42                                                      
CONECT   80   42                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
