COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.877   0.668  -0.852  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.162   1.270   0.145  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.694   1.215   0.326  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.274  -3.072   1.475  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.616  -2.264   0.354  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.672   0.711  -0.845  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.291   0.525  -1.500  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.568  -0.987  -1.421  1.00  0.00           C  
HETATM    9  C   UNL     1       1.306   0.063   0.179  1.00  0.00           C  
HETATM   10  C   UNL     1       3.362  -1.152  -0.110  1.00  0.00           C  
HETATM   11  C   UNL     1       4.005  -2.331   0.258  1.00  0.00           C  
HETATM   12  C   UNL     1       5.380  -2.381   0.306  1.00  0.00           C  
HETATM   13  C   UNL     1       6.131  -1.245  -0.014  1.00  0.00           C  
HETATM   14  C   UNL     1       7.603  -1.295   0.036  1.00  0.00           C  
HETATM   15  C   UNL     1       9.770  -0.322  -0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      10.414   1.012  -0.585  1.00  0.00           C  
HETATM   17  C   UNL     1      10.239  -1.411  -1.169  1.00  0.00           C  
HETATM   18  C   UNL     1      10.181  -0.696   1.224  1.00  0.00           C  
HETATM   19  C   UNL     1       5.482  -0.063  -0.384  1.00  0.00           C  
HETATM   20  C   UNL     1       4.107  -0.022  -0.435  1.00  0.00           C  
HETATM   21  C   UNL     1       1.407   2.220   0.988  1.00  0.00           C  
HETATM   22  C   UNL     1       0.011   2.320   0.834  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.354   3.662   1.282  1.00  0.00           C  
HETATM   24  C   UNL     1       0.782   4.268   1.663  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.079   1.954   0.969  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.211   1.062  -2.931  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.857   0.837  -3.464  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.496  -0.658  -0.322  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.175   0.967  -0.660  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.010   0.116   0.018  1.00  0.00           N  
HETATM   31  N   UNL     1       1.972  -1.105  -0.158  1.00  0.00           N  
HETATM   32  N   UNL     1       2.007   1.082   0.648  1.00  0.00           N  
HETATM   33  N   UNL     1       1.843   3.415   1.492  1.00  0.00           N  
HETATM   34  N   UNL     1      -4.277   1.766   0.485  1.00  0.00           N  
HETATM   35  N   UNL     1      -2.813   0.663  -3.876  1.00  0.00           N  
HETATM   36  O   UNL     1      -7.409  -0.479   1.927  1.00  0.00           O  
HETATM   37  O   UNL     1       8.325  -0.200  -0.273  1.00  0.00           O  
HETATM   38  O   UNL     1       8.165  -2.323   0.357  1.00  0.00           O  
HETATM   39  O   UNL     1      -6.112  -2.475   1.251  1.00  0.00           O  
HETATM   40  S   UNL     1      -7.099  -1.490   0.977  1.00  0.00           S  
HETATM   41  H   UNL     1      -2.473   0.065  -1.652  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.586  -3.844   1.818  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.519  -2.409   2.305  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.186  -3.537   1.101  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.371  -2.927  -0.475  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.304  -1.492   0.011  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.691   1.478  -0.071  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.488   0.808  -1.561  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.061  -1.391  -2.306  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.706  -1.576  -1.109  1.00  0.00           H  
HETATM   51  H   UNL     1       3.425  -3.207   0.505  1.00  0.00           H  
HETATM   52  H   UNL     1       5.878  -3.295   0.592  1.00  0.00           H  
HETATM   53  H   UNL     1      10.122   1.279  -1.600  1.00  0.00           H  
HETATM   54  H   UNL     1      10.080   1.788   0.105  1.00  0.00           H  
HETATM   55  H   UNL     1      11.499   0.921  -0.531  1.00  0.00           H  
HETATM   56  H   UNL     1      11.324  -1.502  -1.116  1.00  0.00           H  
HETATM   57  H   UNL     1       9.780  -2.361  -0.897  1.00  0.00           H  
HETATM   58  H   UNL     1       9.946  -1.144  -2.185  1.00  0.00           H  
HETATM   59  H   UNL     1      11.266  -0.787   1.278  1.00  0.00           H  
HETATM   60  H   UNL     1       9.847   0.080   1.913  1.00  0.00           H  
HETATM   61  H   UNL     1       9.722  -1.646   1.497  1.00  0.00           H  
HETATM   62  H   UNL     1       6.059   0.816  -0.632  1.00  0.00           H  
HETATM   63  H   UNL     1       3.605   0.891  -0.720  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.348   4.086   1.303  1.00  0.00           H  
HETATM   65  H   UNL     1       0.850   5.275   2.047  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.834   2.532   1.848  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.938   0.544  -3.555  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.428   2.130  -2.930  1.00  0.00           H  
HETATM   69  H   UNL     1       1.470  -1.890  -0.427  1.00  0.00           H  
HETATM   70  H   UNL     1       2.767   3.628   1.699  1.00  0.00           H  
CONECT    1   29    2    2   41                                       
CONECT    2   25    1    1    3                                       
CONECT    3    2   30   30   22                                       
CONECT    4    5   42   43   44                                       
CONECT    5    4   40   45   46                                       
CONECT    6   28    7   47   48                                       
CONECT    7    6    8   26   29                                       
CONECT    8   28    7   49   50                                       
CONECT    9   30   31   32   32                                       
CONECT   10   20   20   11   31                                       
CONECT   11   12   12   10   51                                       
CONECT   12   13   11   11   52                                       
CONECT   13   14   19   19   12                                       
CONECT   14   37   38   38   13                                       
CONECT   15   18   17   16   37                                       
CONECT   16   15   53   54   55                                       
CONECT   17   15   56   57   58                                       
CONECT   18   15   59   60   61                                       
CONECT   19   13   13   20   62                                       
CONECT   20   19   10   10   63                                       
CONECT   21   22   22   32   33                                       
CONECT   22    3   23   21   21                                       
CONECT   23   22   24   24   64                                       
CONECT   24   23   23   33   65                                       
CONECT   25   34   34    2   66                                       
CONECT   26    7   27   67   68                                       
CONECT   27   26   35   35   35                                       
CONECT   28   40    6    8                                            
CONECT   29    7   34    1                                            
CONECT   30    3    3    9                                            
CONECT   31   10    9   69                                            
CONECT   32    9    9   21                                            
CONECT   33   24   21   70                                            
CONECT   34   29   25   25                                            
CONECT   35   27   27   27                                            
CONECT   36   40   40                                                 
CONECT   37   15   14                                                 
CONECT   38   14   14                                                 
CONECT   39   40   40                                                 
CONECT   40    5   36   36   39                                       
CONECT   40   39   28                                                 
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
