COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.109   0.413   0.090  1.00  0.00           C  
HETATM    2  C   UNL     1       0.794   0.686  -0.279  1.00  0.00           C  
HETATM    3  C   UNL     1       0.505   1.822  -1.010  1.00  0.00           C  
HETATM    4  C   UNL     1       1.518   2.713  -1.375  1.00  0.00           C  
HETATM    5  C   UNL     1       2.860   2.474  -1.001  1.00  0.00           C  
HETATM    6  N   UNL     1       4.027   3.240  -1.222  1.00  0.00           N  
HETATM    7  C   UNL     1       4.985   2.404  -0.687  1.00  0.00           C  
HETATM    8  C   UNL     1       6.400   2.598  -0.764  1.00  0.00           C  
HETATM    9  N   UNL     1       6.999   3.644  -1.400  1.00  0.00           N  
HETATM   10  C   UNL     1       8.355   3.334  -1.261  1.00  0.00           C  
HETATM   11  C   UNL     1       9.477   4.050  -1.729  1.00  0.00           C  
HETATM   12  C   UNL     1      10.759   3.568  -1.471  1.00  0.00           C  
HETATM   13  C   UNL     1      10.941   2.394  -0.759  1.00  0.00           C  
HETATM   14  C   UNL     1       9.840   1.674  -0.289  1.00  0.00           C  
HETATM   15  C   UNL     1       8.516   2.124  -0.524  1.00  0.00           C  
HETATM   16  C   UNL     1       7.218   1.559  -0.154  1.00  0.00           C  
HETATM   17  C   UNL     1       6.773   0.432   0.518  1.00  0.00           C  
HETATM   18  C   UNL     1       7.377  -0.709   1.187  1.00  0.00           C  
HETATM   19  N   UNL     1       6.351  -1.546   1.617  1.00  0.00           N  
HETATM   20  C   UNL     1       5.225  -1.002   1.262  1.00  0.00           C  
HETATM   21  C   UNL     1       5.422   0.241   0.574  1.00  0.00           C  
HETATM   22  C   UNL     1       4.596   1.173  -0.029  1.00  0.00           C  
HETATM   23  C   UNL     1       3.169   1.288  -0.264  1.00  0.00           C  
HETATM   24  C   UNL     1       4.093   4.611  -1.730  1.00  0.00           C  
HETATM   25  C   UNL     1       3.963   4.765  -3.272  1.00  0.00           C  
HETATM   26  C   UNL     1       5.175   4.291  -4.079  1.00  0.00           C  
HETATM   27  C   UNL     1       6.424   4.928  -3.481  1.00  0.00           C  
HETATM   28  C   UNL     1       6.487   4.870  -1.952  1.00  0.00           C  
HETATM   29  O   UNL     1       5.303   5.221  -1.273  1.00  0.00           O  
HETATM   30  O   UNL     1       8.574  -0.877   1.334  1.00  0.00           O  
HETATM   31  N   UNL     1       5.279   2.835  -4.170  1.00  0.00           N  
HETATM   32  C   UNL     1       6.398   2.451  -5.017  1.00  0.00           C  
HETATM   33  O   UNL     1       2.772   4.199  -3.800  1.00  0.00           O  
HETATM   34  C   UNL     1       2.572   4.574  -5.157  1.00  0.00           C  
HETATM   35  C   UNL     1       3.041   5.514  -1.039  1.00  0.00           C  
HETATM   36  O   UNL     1      12.200   1.935  -0.516  1.00  0.00           O  
HETATM   37  H   UNL     1       2.313  -0.495   0.650  1.00  0.00           H  
HETATM   38  H   UNL     1       0.000   0.001   0.002  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.521   2.032  -1.300  1.00  0.00           H  
HETATM   40  H   UNL     1       1.242   3.606  -1.927  1.00  0.00           H  
HETATM   41  H   UNL     1       9.358   4.971  -2.293  1.00  0.00           H  
HETATM   42  H   UNL     1      11.625   4.118  -1.831  1.00  0.00           H  
HETATM   43  H   UNL     1      10.027   0.758   0.261  1.00  0.00           H  
HETATM   44  H   UNL     1       4.245  -1.450   1.470  1.00  0.00           H  
HETATM   45  H   UNL     1       3.881   5.843  -3.472  1.00  0.00           H  
HETATM   46  H   UNL     1       5.061   4.639  -5.113  1.00  0.00           H  
HETATM   47  H   UNL     1       7.331   4.512  -3.936  1.00  0.00           H  
HETATM   48  H   UNL     1       6.403   5.990  -3.765  1.00  0.00           H  
HETATM   49  H   UNL     1       7.206   5.639  -1.644  1.00  0.00           H  
HETATM   50  H   UNL     1       5.415   2.455  -3.235  1.00  0.00           H  
HETATM   51  H   UNL     1       7.343   2.650  -4.504  1.00  0.00           H  
HETATM   52  H   UNL     1       6.377   3.019  -5.951  1.00  0.00           H  
HETATM   53  H   UNL     1       6.343   1.385  -5.254  1.00  0.00           H  
HETATM   54  H   UNL     1       3.087   5.518  -5.354  1.00  0.00           H  
HETATM   55  H   UNL     1       1.502   4.683  -5.352  1.00  0.00           H  
HETATM   56  H   UNL     1       2.982   3.796  -5.805  1.00  0.00           H  
HETATM   57  H   UNL     1       3.452   5.953  -0.125  1.00  0.00           H  
HETATM   58  H   UNL     1       2.734   6.326  -1.704  1.00  0.00           H  
HETATM   59  H   UNL     1       2.152   4.933  -0.772  1.00  0.00           H  
HETATM   60  H   UNL     1      12.360   1.883   0.440  1.00  0.00           H  
CONECT    1    2    2   23   37                                       
CONECT    2    1    1    3   38                                       
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4   23   23    6                                       
CONECT    6    5    7   24                                            
CONECT    7    6   22   22    8                                       
CONECT    8    7   16   16    9                                       
CONECT    9    8   10   28                                            
CONECT   10    9   15   11   11                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   13   13   42                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   15   15   43                                       
CONECT   15   10   14   14   16                                       
CONECT   16    8    8   15   17                                       
CONECT   17   16   18   21   21                                       
CONECT   18   17   19   30   30                                       
CONECT   19   18   20   20                                            
CONECT   20   19   19   21   44                                       
CONECT   21   17   17   20   22                                       
CONECT   22    7    7   21   23                                       
CONECT   23    1    5    5   22                                       
CONECT   24    6   25   29   35                                       
CONECT   25   24   33   26   45                                       
CONECT   26   25   27   31   46                                       
CONECT   27   26   28   47   48                                       
CONECT   28    9   27   29   49                                       
CONECT   29   24   28                                                 
CONECT   30   18   18                                                 
CONECT   31   26   32   50                                            
CONECT   32   31   51   52   53                                       
CONECT   33   25   34                                                 
CONECT   34   33   54   55   56                                       
CONECT   35   24   57   58   59                                       
CONECT   36   13   60                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   20                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
CONECT   50   31                                                      
CONECT   51   32                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
CONECT   58   35                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
