COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.594  -1.119  -0.841  1.00  0.00           N  
HETATM    2  S   UNL     1      -0.916  -1.929   0.583  1.00  0.00           S  
HETATM    3  N   UNL     1      -0.745  -0.814   1.820  1.00  0.00           N  
HETATM    4  C   UNL     1       0.317   0.164   1.759  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.123   1.410   0.992  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.065   1.248  -0.474  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.073   0.234  -1.014  1.00  0.00           C  
HETATM    8  C   UNL     1       0.161  -1.777  -1.910  1.00  0.00           C  
HETATM    9  C   UNL     1       1.610  -1.372  -1.823  1.00  0.00           C  
HETATM   10  C   UNL     1       2.135  -0.490  -2.745  1.00  0.00           C  
HETATM   11  C   UNL     1       3.478  -0.120  -2.666  1.00  0.00           C  
HETATM   12  C   UNL     1       4.280  -0.638  -1.647  1.00  0.00           C  
HETATM   13  C   UNL     1       3.741  -1.514  -0.728  1.00  0.00           C  
HETATM   14  C   UNL     1       2.409  -1.881  -0.815  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.297  -2.259   0.547  1.00  0.00           O  
HETATM   16  O   UNL     1       1.126  -0.594   3.906  1.00  0.00           O  
HETATM   17  C   UNL     1       1.463  -0.178   5.155  1.00  0.00           C  
HETATM   18  C   UNL     1       1.909  -1.095   6.096  1.00  0.00           C  
HETATM   19  C   UNL     1       2.250  -0.670   7.365  1.00  0.00           C  
HETATM   20  C   UNL     1       2.147   0.667   7.698  1.00  0.00           C  
HETATM   21  C   UNL     1       1.703   1.583   6.762  1.00  0.00           C  
HETATM   22  C   UNL     1       1.366   1.164   5.490  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.669  -0.829   2.957  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.761   0.184   2.729  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.769  -0.077   1.821  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.771   0.852   1.612  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.764   2.044   2.312  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.756   2.305   3.222  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.757   1.374   3.433  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.466   1.722   1.366  1.00  0.00           O  
HETATM   31  O   UNL     1       1.249   0.822  -0.834  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.301   0.500  -2.503  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.270  -0.420  -3.008  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.431  -0.137  -4.328  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.321  -0.876  -5.094  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.482  -0.587  -6.435  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.756   0.437  -7.014  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.868   1.175  -6.253  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.708   0.893  -4.910  1.00  0.00           C  
HETATM   40  O   UNL     1       0.149  -2.855   0.746  1.00  0.00           O  
HETATM   41  C   UNL     1       0.712   0.565   3.182  1.00  0.00           C  
HETATM   42  C   UNL     1       4.049   0.819  -3.655  1.00  0.00           C  
HETATM   43  O   UNL     1       3.349   1.267  -4.541  1.00  0.00           O  
HETATM   44  N   UNL     1       5.346   1.178  -3.572  1.00  0.00           N  
HETATM   45  C   UNL     1       5.911   2.109  -4.552  1.00  0.00           C  
HETATM   46  H   UNL     1       1.180  -0.275   1.259  1.00  0.00           H  
HETATM   47  H   UNL     1       0.520   2.242   1.277  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.258   2.214  -0.940  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.017   0.350  -0.481  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.241  -1.477  -2.877  1.00  0.00           H  
HETATM   51  H   UNL     1       0.079  -2.858  -1.800  1.00  0.00           H  
HETATM   52  H   UNL     1       1.510  -0.093  -3.531  1.00  0.00           H  
HETATM   53  H   UNL     1       5.319  -0.353  -1.578  1.00  0.00           H  
HETATM   54  H   UNL     1       4.360  -1.915   0.061  1.00  0.00           H  
HETATM   55  H   UNL     1       1.993  -2.567  -0.093  1.00  0.00           H  
HETATM   56  H   UNL     1       1.989  -2.140   5.837  1.00  0.00           H  
HETATM   57  H   UNL     1       2.597  -1.383   8.098  1.00  0.00           H  
HETATM   58  H   UNL     1       2.415   0.998   8.691  1.00  0.00           H  
HETATM   59  H   UNL     1       1.623   2.628   7.025  1.00  0.00           H  
HETATM   60  H   UNL     1       1.019   1.879   4.759  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.110  -1.821   3.053  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.128  -0.581   3.869  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.775  -1.008   1.273  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.558   0.648   0.902  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.546   2.771   2.149  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.751   3.237   3.769  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.970   1.578   4.144  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.698   2.546   0.914  1.00  0.00           H  
HETATM   69  H   UNL     1       1.863   1.480  -0.480  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.662   1.519  -2.640  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.363   0.371  -3.043  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.887  -1.677  -4.642  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.174  -1.162  -7.031  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.883   0.662  -8.063  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.302   1.974  -6.708  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.014   1.470  -4.316  1.00  0.00           H  
HETATM   77  H   UNL     1       1.533   1.281   3.143  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.143   1.019   3.682  1.00  0.00           H  
HETATM   79  H   UNL     1       5.904   0.820  -2.865  1.00  0.00           H  
HETATM   80  H   UNL     1       6.964   2.279  -4.326  1.00  0.00           H  
HETATM   81  H   UNL     1       5.818   1.686  -5.552  1.00  0.00           H  
HETATM   82  H   UNL     1       5.372   3.056  -4.506  1.00  0.00           H  
CONECT    1    2    7    8                                            
CONECT    2    1    3   15   15                                       
CONECT    2   40   40                                                 
CONECT    3    2    4   23                                            
CONECT    4    3    5   41   46                                       
CONECT    5    4    6   30   47                                       
CONECT    6    5    7   31   48                                       
CONECT    7    1    6   32   49                                       
CONECT    8    1    9   50   51                                       
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   52                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   14   14   54                                       
CONECT   14    9   13   13   55                                       
CONECT   15    2    2                                                 
CONECT   16   17   41                                                 
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   56                                       
CONECT   19   18   20   20   57                                       
CONECT   20   19   19   21   58                                       
CONECT   21   20   22   22   59                                       
CONECT   22   17   21   21   60                                       
CONECT   23    3   24   61   62                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   63                                       
CONECT   26   25   27   27   64                                       
CONECT   27   26   26   28   65                                       
CONECT   28   27   29   29   66                                       
CONECT   29   24   28   28   67                                       
CONECT   30    5   68                                                 
CONECT   31    6   69                                                 
CONECT   32    7   33   70   71                                       
CONECT   33   32   34                                                 
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   72                                       
CONECT   36   35   37   37   73                                       
CONECT   37   36   36   38   74                                       
CONECT   38   37   39   39   75                                       
CONECT   39   34   38   38   76                                       
CONECT   40    2    2                                                 
CONECT   41    4   16   77   78                                       
CONECT   42   11   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45   79                                            
CONECT   45   44   80   81   82                                       
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   35                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   44                                                      
CONECT   80   45                                                      
CONECT   81   45                                                      
CONECT   82   45                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
