COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.948  -3.331   0.210  1.00  0.00           C  
HETATM    2  C   UNL     1       2.461   1.716   0.060  1.00  0.00           C  
HETATM    3  C   UNL     1       1.917   3.143   0.151  1.00  0.00           C  
HETATM    4  C   UNL     1       0.418   3.100   0.301  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.149   3.050   1.561  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.332   3.022   0.577  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.390   3.116  -0.820  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.892  -3.289   0.073  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.196  -3.749   0.067  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.988  -1.491  -0.115  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.112  -0.527  -0.217  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.167   0.373  -1.279  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.208   1.271  -0.408  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.162   0.376   0.646  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.119  -0.522   0.746  1.00  0.00           C  
HETATM   16  N   UNL     1       7.328   1.390  -1.369  1.00  0.00           N  
HETATM   17  C   UNL     1       6.930   1.151   0.025  1.00  0.00           C  
HETATM   18  C   UNL     1       5.793   0.163   0.060  1.00  0.00           C  
HETATM   19  C   UNL     1       4.472   0.472   0.003  1.00  0.00           C  
HETATM   20  N   UNL     1       3.922   1.757  -0.087  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.765   3.078  -0.682  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.524   3.010   1.699  1.00  0.00           C  
HETATM   23  N   UNL     1       5.915  -1.166   0.140  1.00  0.00           N  
HETATM   24  C   UNL     1       4.709  -1.715   0.147  1.00  0.00           C  
HETATM   25  N   UNL     1       3.780  -0.706   0.061  1.00  0.00           N  
HETATM   26  C   UNL     1       2.440  -0.996   0.043  1.00  0.00           C  
HETATM   27  C   UNL     1       4.278  -3.056   0.223  1.00  0.00           C  
HETATM   28  C   UNL     1       2.015  -2.278   0.116  1.00  0.00           C  
HETATM   29  O   UNL     1       0.683  -2.552   0.097  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.207  -1.439  -0.001  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.631  -1.933  -0.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.245  -2.857  -0.027  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.672  -1.031  -0.097  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.387   0.445  -0.186  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.214   1.267  -1.370  1.00  0.00           C  
HETATM   36  H   UNL     1       2.606  -4.354   0.268  1.00  0.00           H  
HETATM   37  H   UNL     1       2.202   1.169   0.967  1.00  0.00           H  
HETATM   38  H   UNL     1       2.023   1.214  -0.804  1.00  0.00           H  
HETATM   39  H   UNL     1       2.354   3.644   1.014  1.00  0.00           H  
HETATM   40  H   UNL     1       2.175   3.689  -0.756  1.00  0.00           H  
HETATM   41  H   UNL     1       0.482   3.042   2.438  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.406   2.991   0.685  1.00  0.00           H  
HETATM   43  H   UNL     1       0.053   3.160  -1.804  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.074  -3.990   0.147  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.394  -4.809   0.135  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.391   0.372  -2.030  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.027   1.972  -0.483  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.940   0.383   1.394  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.083  -1.221   1.569  1.00  0.00           H  
HETATM   50  H   UNL     1       8.090   2.050  -1.419  1.00  0.00           H  
HETATM   51  H   UNL     1       7.568   0.526  -1.830  1.00  0.00           H  
HETATM   52  H   UNL     1       7.778   0.749   0.581  1.00  0.00           H  
HETATM   53  H   UNL     1       6.611   2.089   0.478  1.00  0.00           H  
HETATM   54  H   UNL     1       4.186   2.204  -0.953  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.396   3.086  -1.558  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.967   2.967   2.683  1.00  0.00           H  
HETATM   57  H   UNL     1       1.719  -0.196  -0.029  1.00  0.00           H  
HETATM   58  H   UNL     1       5.000  -3.856   0.291  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.056  -0.777   0.852  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.007  -0.893  -0.924  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.262  -3.218  -0.042  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.202   0.718  -1.225  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.244   1.005   0.189  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.508   0.683   0.414  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.255   1.968  -2.190  1.00  0.00           H  
CONECT    1   28   27   27   36                                       
CONECT    2    3   20   37   38                                       
CONECT    3    4    2   39   40                                       
CONECT    4    5    5    7    3                                       
CONECT    5   22    4    4   41                                       
CONECT    6   22   22   21   42                                       
CONECT    7   21   21    4   43                                       
CONECT    8   31    9    9   44                                       
CONECT    9    8    8   32   45                                       
CONECT   10   33   11   32   32                                       
CONECT   11   12   12   15   10                                       
CONECT   12   35   11   11   46                                       
CONECT   13   35   35   14   47                                       
CONECT   14   13   15   15   48                                       
CONECT   15   14   14   11   49                                       
CONECT   16   17   50   51                                            
CONECT   17   16   18   52   53                                       
CONECT   18   17   19   19   23                                       
CONECT   19   20   18   18   25                                       
CONECT   20    2   19   54                                            
CONECT   21    6    7    7   55                                       
CONECT   22    6    6    5   56                                       
CONECT   23   18   24   24                                            
CONECT   24   25   23   23   27                                       
CONECT   25   19   26   24                                            
CONECT   26   25   28   28   57                                       
CONECT   27   24    1    1   58                                       
CONECT   28   26   26   29    1                                       
CONECT   29   30   28                                                 
CONECT   30   29   31   59   60                                       
CONECT   31   30   33   33    8                                       
CONECT   32   10   10    9   61                                       
CONECT   33   34   31   31   10                                       
CONECT   34   33   62   63   64                                       
CONECT   35   13   13   12   65                                       
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
