COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.585  -4.016  -1.530  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.789  -5.005  -1.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.745  -6.249  -2.025  1.00  0.00           C  
HETATM    4  N   UNL     1      -2.032  -4.936  -0.100  1.00  0.00           N  
HETATM    5  C   UNL     1      -2.046  -3.854   0.672  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.247  -3.785   1.802  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.878  -2.787   0.325  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.654  -2.904  -0.811  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.927  -1.540   1.169  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.029  -0.531   0.603  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.428   0.365  -0.496  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.917   1.371  -0.743  1.00  0.00           S  
HETATM   13  C   UNL     1       0.038   0.580   0.530  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.743  -0.339   1.058  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.222  -1.193   2.185  1.00  0.00           C  
HETATM   16  C   UNL     1       1.457   0.898   0.926  1.00  0.00           C  
HETATM   17  C   UNL     1       2.423   0.137   0.016  1.00  0.00           C  
HETATM   18  O   UNL     1       3.768   0.438   0.391  1.00  0.00           O  
HETATM   19  P   UNL     1       5.049  -0.189  -0.356  1.00  0.00           P  
HETATM   20  O   UNL     1       5.079  -1.782  -0.122  1.00  0.00           O  
HETATM   21  O   UNL     1       4.962   0.095  -1.806  1.00  0.00           O  
HETATM   22  O   UNL     1       6.393   0.466   0.240  1.00  0.00           O  
HETATM   23  P   UNL     1       7.905   0.602  -0.297  1.00  0.00           P  
HETATM   24  O   UNL     1       7.888   1.023  -1.716  1.00  0.00           O  
HETATM   25  O   UNL     1       8.689   1.700   0.580  1.00  0.00           O  
HETATM   26  O   UNL     1       8.649  -0.820  -0.168  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.611   1.242  -0.081  1.00  0.00           C  
HETATM   28  P   UNL     1      -3.175   2.178   1.422  1.00  0.00           P  
HETATM   29  O   UNL     1      -4.202   3.404   1.607  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.797   2.703   1.294  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.263   1.206   2.703  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.942   2.219  -1.212  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.747   0.417   0.184  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.186   1.439  -2.505  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.512   2.401  -3.618  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.547   3.588  -3.399  1.00  0.00           O  
HETATM   37  O   UNL     1      -4.765   1.938  -4.852  1.00  0.00           O  
HETATM   38  C   UNL     1      -2.851   1.605   4.011  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.961   0.414   4.966  1.00  0.00           C  
HETATM   40  H   UNL     1      -1.976  -6.140  -2.789  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.513  -7.110  -1.397  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.714  -6.398  -2.502  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.558  -4.451   1.951  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.377  -3.070   2.445  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.309  -2.100  -1.110  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.946  -1.151   1.185  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.613  -1.776   2.186  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.666  -0.205  -1.395  1.00  0.00           H  
HETATM   49  H   UNL     1       0.248  -2.088   1.776  1.00  0.00           H  
HETATM   50  H   UNL     1       0.512  -0.628   2.760  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.048  -1.482   2.835  1.00  0.00           H  
HETATM   52  H   UNL     1       1.630   1.969   0.826  1.00  0.00           H  
HETATM   53  H   UNL     1       1.621   0.598   1.962  1.00  0.00           H  
HETATM   54  H   UNL     1       2.249  -0.934   0.116  1.00  0.00           H  
HETATM   55  H   UNL     1       2.259   0.437  -1.019  1.00  0.00           H  
HETATM   56  H   UNL     1       5.135  -2.042   0.808  1.00  0.00           H  
HETATM   57  H   UNL     1       9.609   1.834   0.312  1.00  0.00           H  
HETATM   58  H   UNL     1       8.697  -1.158   0.736  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.126   3.134   1.697  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.838   2.783  -0.953  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.109   2.907  -1.354  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.554   0.911   0.380  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.290   0.875  -2.763  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.019   0.751  -2.362  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.970   2.593  -5.534  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.817   1.949   3.978  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.491   2.414   4.364  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.255  -0.360   4.665  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.733   0.739   5.981  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.975   0.014   4.932  1.00  0.00           H  
CONECT    1    2    2    8                                            
CONECT    2    4    3    1    1                                       
CONECT    3    2   40   41   42                                       
CONECT    4    5    5    2                                            
CONECT    5    6    4    4    7                                       
CONECT    6    5   43   44                                            
CONECT    7    5    9    8    8                                       
CONECT    8    7    7    1   45                                       
CONECT    9   10    7   46   47                                       
CONECT   10   11   14    9                                            
CONECT   11   27   12   10   48                                       
CONECT   12   11   13                                                 
CONECT   13   12   16   14   14                                       
CONECT   14   13   13   10   15                                       
CONECT   15   14   49   50   51                                       
CONECT   16   17   13   52   53                                       
CONECT   17   18   16   54   55                                       
CONECT   18   19   17                                                 
CONECT   19   22   21   21   20                                       
CONECT   19   18                                                      
CONECT   20   19   56                                                 
CONECT   21   19   19                                                 
CONECT   22   23   19                                                 
CONECT   23   24   24   22   26                                       
CONECT   23   25                                                      
CONECT   24   23   23                                                 
CONECT   25   23   57                                                 
CONECT   26   23   58                                                 
CONECT   27   32   33   11   28                                       
CONECT   28   27   30   30   29                                       
CONECT   28   31                                                      
CONECT   29   28   59                                                 
CONECT   30   28   28                                                 
CONECT   31   28   38                                                 
CONECT   32   34   27   60   61                                       
CONECT   33   27   62                                                 
CONECT   34   35   32   63   64                                       
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   65                                                 
CONECT   38   31   39   66   67                                       
CONECT   39   38   68   69   70                                       
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
CONECT   69   39                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
