COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.075   2.122  -0.120  1.00  0.00           C  
HETATM    2  N   UNL     1      -8.505   0.158   0.081  1.00  0.00           N  
HETATM    3  C   UNL     1      -8.449  -1.158   0.071  1.00  0.00           C  
HETATM    4  C   UNL     1     -12.103   0.755  -0.142  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.828  -1.341  -0.090  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.608  -1.942  -0.008  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.880   0.067  -0.073  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.857   2.789  -0.038  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.846   4.296  -0.021  1.00  0.00           C  
HETATM   10  N   UNL     1      -9.718   2.141   0.025  1.00  0.00           N  
HETATM   11  C   UNL     1      -9.674   0.805   0.015  1.00  0.00           C  
HETATM   12  N   UNL     1      -7.211  -1.784   0.155  1.00  0.00           N  
HETATM   13  C   UNL     1      -6.081  -1.049   0.127  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.145   0.164   0.123  1.00  0.00           O  
HETATM   15  O   UNL     1      -4.882  -1.660   0.104  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.708  -0.806   0.075  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.447  -1.673   0.052  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.210  -0.773   0.021  1.00  0.00           C  
HETATM   19  N   UNL     1       0.001  -1.605  -0.002  1.00  0.00           N  
HETATM   20  C   UNL     1       1.211  -0.773  -0.032  1.00  0.00           C  
HETATM   21  C   UNL     1       2.448  -1.673  -0.054  1.00  0.00           C  
HETATM   22  C   UNL     1       3.708  -0.807  -0.085  1.00  0.00           C  
HETATM   23  O   UNL     1       4.883  -1.661  -0.107  1.00  0.00           O  
HETATM   24  C   UNL     1       6.082  -1.051  -0.135  1.00  0.00           C  
HETATM   25  O   UNL     1       6.146   0.163  -0.142  1.00  0.00           O  
HETATM   26  N   UNL     1       7.212  -1.785  -0.156  1.00  0.00           N  
HETATM   27  C   UNL     1       8.450  -1.158  -0.079  1.00  0.00           C  
HETATM   28  C   UNL     1       9.608  -1.942   0.007  1.00  0.00           C  
HETATM   29  C   UNL     1      10.829  -1.340   0.084  1.00  0.00           C  
HETATM   30  C   UNL     1      10.880   0.068   0.073  1.00  0.00           C  
HETATM   31  C   UNL     1      12.102   0.757   0.149  1.00  0.00           C  
HETATM   32  C   UNL     1      12.073   2.124   0.133  1.00  0.00           C  
HETATM   33  C   UNL     1      10.854   2.790   0.044  1.00  0.00           C  
HETATM   34  C   UNL     1      10.842   4.297   0.028  1.00  0.00           C  
HETATM   35  N   UNL     1       9.716   2.141  -0.026  1.00  0.00           N  
HETATM   36  C   UNL     1       9.673   0.805  -0.015  1.00  0.00           C  
HETATM   37  N   UNL     1       8.506   0.157  -0.093  1.00  0.00           N  
HETATM   38  H   UNL     1     -12.997   2.683  -0.171  1.00  0.00           H  
HETATM   39  H   UNL     1     -13.038   0.219  -0.210  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.732  -1.928  -0.157  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.533  -3.020  -0.013  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.906   4.648   1.008  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.923   4.657  -0.476  1.00  0.00           H  
HETATM   44  H   UNL     1     -11.700   4.672  -0.585  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.160  -2.749   0.233  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.735  -0.181  -0.818  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.697  -0.173   0.962  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.419  -2.298   0.944  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.458  -2.306  -0.836  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.237  -0.148  -0.872  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.199  -0.140   0.908  1.00  0.00           H  
HETATM   52  H   UNL     1       0.017  -2.240   0.783  1.00  0.00           H  
HETATM   53  H   UNL     1       1.200  -0.148  -0.924  1.00  0.00           H  
HETATM   54  H   UNL     1       1.238  -0.140   0.855  1.00  0.00           H  
HETATM   55  H   UNL     1       2.459  -2.298   0.839  1.00  0.00           H  
HETATM   56  H   UNL     1       2.420  -2.307  -0.941  1.00  0.00           H  
HETATM   57  H   UNL     1       3.698  -0.182  -0.978  1.00  0.00           H  
HETATM   58  H   UNL     1       3.736  -0.174   0.801  1.00  0.00           H  
HETATM   59  H   UNL     1       7.161  -2.751  -0.226  1.00  0.00           H  
HETATM   60  H   UNL     1       9.534  -3.020   0.013  1.00  0.00           H  
HETATM   61  H   UNL     1      11.733  -1.927   0.151  1.00  0.00           H  
HETATM   62  H   UNL     1      13.037   0.222   0.218  1.00  0.00           H  
HETATM   63  H   UNL     1      12.994   2.685   0.190  1.00  0.00           H  
HETATM   64  H   UNL     1      10.908   4.649  -1.001  1.00  0.00           H  
HETATM   65  H   UNL     1       9.917   4.657   0.477  1.00  0.00           H  
HETATM   66  H   UNL     1      11.692   4.673   0.596  1.00  0.00           H  
CONECT    1    8    4    4   38                                       
CONECT    2    3   11   11                                            
CONECT    3   12    6    6    2                                       
CONECT    4    7    1    1   39                                       
CONECT    5    6    7    7   40                                       
CONECT    6    3    3    5   41                                       
CONECT    7   11    5    5    4                                       
CONECT    8   10   10    1    9                                       
CONECT    9    8   42   43   44                                       
CONECT   10   11    8    8                                            
CONECT   11    2    2   10    7                                       
CONECT   12   13    3   45                                            
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   16   13                                                 
CONECT   16   17   15   46   47                                       
CONECT   17   18   16   48   49                                       
CONECT   18   19   17   50   51                                       
CONECT   19   20   18   52                                            
CONECT   20   21   19   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   24   22                                                 
CONECT   24   25   25   23   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   59                                            
CONECT   27   28   26   37   37                                       
CONECT   28   29   29   27   60                                       
CONECT   29   28   28   30   61                                       
CONECT   30   29   31   31   36                                       
CONECT   31   30   30   32   62                                       
CONECT   32   31   33   33   63                                       
CONECT   33   32   32   35   34                                       
CONECT   34   33   64   65   66                                       
CONECT   35   36   36   33                                            
CONECT   36   30   37   35   35                                       
CONECT   37   27   27   36                                            
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
