COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.688   0.394  -0.578  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.496   0.926  -0.105  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.219  -0.442   0.064  1.00  0.00           C  
HETATM    4  O   UNL     1       3.206  -2.996   2.360  1.00  0.00           O  
HETATM    5  O   UNL     1       6.084  -0.868  -0.730  1.00  0.00           O  
HETATM    6  O   UNL     1      -1.519   1.851   0.052  1.00  0.00           O  
HETATM    7  C   UNL     1       5.457  -2.249   1.078  1.00  0.00           C  
HETATM    8  C   UNL     1       6.459  -1.622   0.143  1.00  0.00           C  
HETATM    9  C   UNL     1       8.711  -1.235  -0.520  1.00  0.00           C  
HETATM   10  C   UNL     1       8.488   0.079  -0.911  1.00  0.00           C  
HETATM   11  C   UNL     1       9.421   0.732  -1.693  1.00  0.00           C  
HETATM   12  C   UNL     1      10.574   0.080  -2.086  1.00  0.00           C  
HETATM   13  C   UNL     1      10.799  -1.229  -1.699  1.00  0.00           C  
HETATM   14  C   UNL     1       9.871  -1.888  -0.917  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.261  -1.354  -0.110  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.885   3.219  -0.138  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.660   4.109   0.080  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.019   5.562  -0.245  1.00  0.00           C  
HETATM   19  C   UNL     1       0.192   6.456   0.033  1.00  0.00           C  
HETATM   20  C   UNL     1       0.973   4.955   1.768  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.214   4.017   1.542  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.012  -0.100  -0.974  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.030   0.065  -1.906  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.069  -0.843  -1.964  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.099  -1.918  -1.096  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.086  -2.088  -0.163  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.463  -0.903  -0.426  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.729   1.295  -0.423  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.857  -0.904   0.419  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.675  -1.788   1.483  1.00  0.00           C  
HETATM   31  C   UNL     1       0.586  -2.216   1.811  1.00  0.00           C  
HETATM   32  C   UNL     1       1.689  -1.766   1.080  1.00  0.00           C  
HETATM   33  C   UNL     1       1.506  -0.881   0.014  1.00  0.00           C  
HETATM   34  C   UNL     1       0.244  -0.458  -0.316  1.00  0.00           C  
HETATM   35  C   UNL     1       3.046  -2.226   1.433  1.00  0.00           C  
HETATM   36  N   UNL     1       4.110  -1.792   0.727  1.00  0.00           N  
HETATM   37  N   UNL     1       7.771  -1.898   0.277  1.00  0.00           N  
HETATM   38  N   UNL     1       0.579   6.332   1.444  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.961   0.819  -0.915  1.00  0.00           N  
HETATM   40  O   UNL     1      -8.117  -3.146   0.690  1.00  0.00           O  
HETATM   41  C   UNL     1      -9.223  -4.043   0.570  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.045  -1.176  -0.098  1.00  0.00           C  
HETATM   43  H   UNL     1       5.508  -3.334   0.989  1.00  0.00           H  
HETATM   44  H   UNL     1       5.684  -1.957   2.103  1.00  0.00           H  
HETATM   45  H   UNL     1       7.587   0.589  -0.604  1.00  0.00           H  
HETATM   46  H   UNL     1       9.248   1.754  -1.997  1.00  0.00           H  
HETATM   47  H   UNL     1      11.302   0.593  -2.698  1.00  0.00           H  
HETATM   48  H   UNL     1      11.701  -1.736  -2.009  1.00  0.00           H  
HETATM   49  H   UNL     1      10.047  -2.909  -0.614  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.087  -2.413   0.012  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.259   3.358  -1.153  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.663   3.490   0.575  1.00  0.00           H  
HETATM   53  H   UNL     1       0.150   3.780  -0.571  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.296   5.642  -1.296  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.855   5.878   0.378  1.00  0.00           H  
HETATM   56  H   UNL     1       1.024   6.148  -0.600  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.065   7.493  -0.184  1.00  0.00           H  
HETATM   58  H   UNL     1       1.284   4.903   2.812  1.00  0.00           H  
HETATM   59  H   UNL     1       1.802   4.655   1.127  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.038   4.309   2.193  1.00  0.00           H  
HETATM   61  H   UNL     1       0.083   2.993   1.767  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.008   0.905  -2.585  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.859  -0.713  -2.689  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.913  -2.626  -1.143  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.527  -2.135   2.049  1.00  0.00           H  
HETATM   66  H   UNL     1       0.727  -2.900   2.635  1.00  0.00           H  
HETATM   67  H   UNL     1       2.357  -0.533  -0.551  1.00  0.00           H  
HETATM   68  H   UNL     1       0.101   0.223  -1.142  1.00  0.00           H  
HETATM   69  H   UNL     1       3.983  -1.178  -0.013  1.00  0.00           H  
HETATM   70  H   UNL     1       8.064  -2.557   0.925  1.00  0.00           H  
HETATM   71  H   UNL     1       1.315   6.983   1.676  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.123   1.755  -1.111  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.126  -4.840   1.307  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.152  -3.500   0.743  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.235  -4.474  -0.431  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.255  -1.307   0.627  1.00  0.00           H  
CONECT    1   39   27   27   28                                       
CONECT    2   28   28    3    6                                       
CONECT    3   15   15    2   29                                       
CONECT    4   35   35                                                 
CONECT    5    8    8                                                 
CONECT    6    2   16                                                 
CONECT    7   36    8   43   44                                       
CONECT    8    7    5    5   37                                       
CONECT    9   37   10   10   14                                       
CONECT   10    9    9   11   45                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   13   47                                       
CONECT   13   14   14   12   48                                       
CONECT   14    9   13   13   49                                       
CONECT   15   27    3    3   50                                       
CONECT   16    6   17   51   52                                       
CONECT   17   16   18   21   53                                       
CONECT   18   17   19   54   55                                       
CONECT   19   18   38   56   57                                       
CONECT   20   21   38   58   59                                       
CONECT   21   17   20   60   61                                       
CONECT   22   42   39   23   23                                       
CONECT   23   22   22   24   62                                       
CONECT   24   25   25   23   63                                       
CONECT   25   26   24   24   64                                       
CONECT   26   40   42   42   25                                       
CONECT   27    1    1   15                                            
CONECT   28    1    2    2                                            
CONECT   29    3   30   30   34                                       
CONECT   30   29   29   31   65                                       
CONECT   31   30   32   32   66                                       
CONECT   32   31   31   33   35                                       
CONECT   33   34   34   32   67                                       
CONECT   34   29   33   33   68                                       
CONECT   35   32   36    4    4                                       
CONECT   36   35    7   69                                            
CONECT   37    8    9   70                                            
CONECT   38   19   20   71                                            
CONECT   39   22    1   72                                            
CONECT   40   41   26                                                 
CONECT   41   40   73   74   75                                       
CONECT   42   26   26   22   76                                       
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   41                                                      
CONECT   74   41                                                      
CONECT   75   41                                                      
CONECT   76   42                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
