COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.575  -1.540  -0.282  1.00  0.00           C  
HETATM    2  C   UNL     1       4.754  -2.007  -0.403  1.00  0.00           C  
HETATM    3  C   UNL     1       4.293  -2.983   0.488  1.00  0.00           C  
HETATM    4  C   UNL     1       6.117  -1.986  -0.730  1.00  0.00           C  
HETATM    5  C   UNL     1       6.499  -3.872   0.701  1.00  0.00           C  
HETATM    6  C   UNL     1       5.153  -3.903   1.033  1.00  0.00           C  
HETATM    7  C   UNL     1       2.450  -2.388   2.071  1.00  0.00           C  
HETATM    8  C   UNL     1       2.010  -3.944   0.141  1.00  0.00           C  
HETATM    9  C   UNL     1       3.889  -0.101  -1.742  1.00  0.00           C  
HETATM   10  C   UNL     1       4.737   0.969  -1.104  1.00  0.00           C  
HETATM   11  C   UNL     1       2.809  -2.732   0.624  1.00  0.00           C  
HETATM   12  C   UNL     1       6.973  -2.914  -0.178  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.036  -0.585  -0.033  1.00  0.00           C  
HETATM   14  N   UNL     1       3.723  -1.215  -0.806  1.00  0.00           N1+
HETATM   15  O   UNL     1      -4.585   1.480  -0.479  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.090   0.551  -0.849  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.069  -0.310  -0.282  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.276   1.236  -0.994  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.742   0.060  -1.192  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.418   0.801  -0.333  1.00  0.00           C  
HETATM   21  O   UNL     1      -9.256   2.212   0.524  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.370  -0.327   0.479  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.576   3.209   0.604  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.190  -1.019   0.631  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.334  -3.154   0.039  1.00  0.00           O  
HETATM   26  C   UNL     1      -8.422  -0.036   0.198  1.00  0.00           C  
HETATM   27  O   UNL     1       8.442   4.053   0.422  1.00  0.00           O  
HETATM   28  C   UNL     1      -8.130   1.362   0.753  1.00  0.00           C  
HETATM   29  O   UNL     1       6.619   4.789   1.452  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.901   1.936   0.043  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.720   0.979   0.228  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.183  -0.917   0.377  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.445  -2.296  -0.230  1.00  0.00           C  
HETATM   34  C   UNL     1       0.225  -1.324   0.121  1.00  0.00           C  
HETATM   35  C   UNL     1       1.338  -0.902  -0.521  1.00  0.00           C  
HETATM   36  C   UNL     1       4.158   1.882  -0.239  1.00  0.00           C  
HETATM   37  C   UNL     1       4.928   2.864   0.348  1.00  0.00           C  
HETATM   38  C   UNL     1       6.294   2.937   0.069  1.00  0.00           C  
HETATM   39  C   UNL     1       6.872   2.013  -0.804  1.00  0.00           C  
HETATM   40  C   UNL     1       6.091   1.032  -1.381  1.00  0.00           C  
HETATM   41  C   UNL     1       7.125   3.986   0.693  1.00  0.00           C  
HETATM   42  H   UNL     1       6.497  -1.243  -1.416  1.00  0.00           H  
HETATM   43  H   UNL     1       7.177  -4.596   1.129  1.00  0.00           H  
HETATM   44  H   UNL     1       4.782  -4.650   1.719  1.00  0.00           H  
HETATM   45  H   UNL     1       1.399  -2.104   2.127  1.00  0.00           H  
HETATM   46  H   UNL     1       2.625  -3.258   2.705  1.00  0.00           H  
HETATM   47  H   UNL     1       3.069  -1.559   2.412  1.00  0.00           H  
HETATM   48  H   UNL     1       2.321  -4.204  -0.871  1.00  0.00           H  
HETATM   49  H   UNL     1       2.192  -4.788   0.805  1.00  0.00           H  
HETATM   50  H   UNL     1       0.947  -3.702   0.143  1.00  0.00           H  
HETATM   51  H   UNL     1       2.912   0.311  -1.993  1.00  0.00           H  
HETATM   52  H   UNL     1       4.377  -0.458  -2.649  1.00  0.00           H  
HETATM   53  H   UNL     1       8.022  -2.895  -0.433  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.203   0.890  -1.362  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.318   2.113  -1.622  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.517   0.607  -1.380  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.140   3.114   0.851  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.261  -0.661   0.991  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.805   3.632   0.200  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.155  -1.898   1.258  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.432  -4.048  -0.318  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.262  -0.475   0.735  1.00  0.00           H  
HETATM   63  H   UNL     1       8.944   4.757   0.854  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.936   1.295   1.824  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.115   2.050  -1.020  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.481   0.897   1.289  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.963  -1.023   1.439  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.577  -2.200  -1.307  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.347  -2.721   0.211  1.00  0.00           H  
HETATM   70  H   UNL     1       0.263  -2.203   0.747  1.00  0.00           H  
HETATM   71  H   UNL     1       1.281  -0.078  -1.217  1.00  0.00           H  
HETATM   72  H   UNL     1       3.101   1.825  -0.024  1.00  0.00           H  
HETATM   73  H   UNL     1       4.475   3.576   1.022  1.00  0.00           H  
HETATM   74  H   UNL     1       7.927   2.063  -1.025  1.00  0.00           H  
HETATM   75  H   UNL     1       6.537   0.314  -2.053  1.00  0.00           H  
CONECT    1   35   14   14   11                                       
CONECT    2   14    4    4    3                                       
CONECT    3    2   11    6    6                                       
CONECT    4    2    2   12   42                                       
CONECT    5   12   12    6   43                                       
CONECT    6    3    3    5   44                                       
CONECT    7   11   45   46   47                                       
CONECT    8   11   48   49   50                                       
CONECT    9   10   14   51   52                                       
CONECT   10   36    9   40   40                                       
CONECT   11    1    3    7    8                                       
CONECT   12    4    5    5   53                                       
CONECT   13   16   16   24   34                                       
CONECT   14    9    1    1    2                                       
CONECT   15   31   20                                                 
CONECT   16   18   13   13   54                                       
CONECT   17   31   32                                                 
CONECT   18   20   20   16   55                                       
CONECT   19   26   56                                                 
CONECT   20   15   18   18   22                                       
CONECT   21   28   57                                                 
CONECT   22   20   24   24   58                                       
CONECT   23   30   59                                                 
CONECT   24   22   22   13   60                                       
CONECT   25   33   61                                                 
CONECT   26   32   28   19   62                                       
CONECT   27   41   63                                                 
CONECT   28   30   26   21   64                                       
CONECT   29   41   41                                                 
CONECT   30   23   31   28   65                                       
CONECT   31   15   30   17   66                                       
CONECT   32   17   33   26   67                                       
CONECT   33   25   32   68   69                                       
CONECT   34   13   35   35   70                                       
CONECT   35   34   34    1   71                                       
CONECT   36   37   37   10   72                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   41   39   39                                       
CONECT   39   38   38   40   74                                       
CONECT   40   10   10   39   75                                       
CONECT   41   29   29   38   27                                       
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   12                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   40                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
