COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.774  -5.779   0.001  1.00  0.00           C  
HETATM    2  O   UNL     1       2.915  -4.638   0.000  1.00  0.00           O  
HETATM    3  C   UNL     1       3.511  -3.416   0.001  1.00  0.00           C  
HETATM    4  C   UNL     1       4.895  -3.322   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1       5.505  -2.086   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1       4.729  -0.924   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       5.380   0.399   0.000  1.00  0.00           C  
HETATM    8  N   UNL     1       4.786   1.549  -0.001  1.00  0.00           N  
HETATM    9  N   UNL     1       5.679   2.617   0.000  1.00  0.00           N  
HETATM   10  C   UNL     1       5.283   4.027  -0.005  1.00  0.00           C  
HETATM   11  C   UNL     1       4.450   4.318  -1.255  1.00  0.00           C  
HETATM   12  C   UNL     1       4.451   4.327   1.243  1.00  0.00           C  
HETATM   13  C   UNL     1       6.957   2.185   0.000  1.00  0.00           C  
HETATM   14  O   UNL     1       7.963   2.864   0.001  1.00  0.00           O  
HETATM   15  C   UNL     1       6.870   0.672   0.006  1.00  0.00           C  
HETATM   16  C   UNL     1       7.521   0.090  -1.250  1.00  0.00           C  
HETATM   17  C   UNL     1       7.523   0.100   1.266  1.00  0.00           C  
HETATM   18  C   UNL     1       3.335  -1.019  -0.001  1.00  0.00           C  
HETATM   19  C   UNL     1       2.731  -2.262  -0.006  1.00  0.00           C  
HETATM   20  O   UNL     1       1.374  -2.358  -0.007  1.00  0.00           O  
HETATM   21  C   UNL     1       0.637  -1.134  -0.002  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.862  -1.442  -0.004  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.651  -0.131   0.001  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.150  -0.438  -0.001  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.887   0.786   0.003  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.242   0.689   0.002  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.018   1.841   0.006  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.394   1.747   0.006  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.006   0.493   0.001  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.481   0.388   0.000  1.00  0.00           C  
HETATM   31  N   UNL     1     -10.208  -0.757  -0.004  1.00  0.00           N  
HETATM   32  N   UNL     1     -11.551  -0.340  -0.003  1.00  0.00           N  
HETATM   33  N   UNL     1     -11.544   0.948   0.003  1.00  0.00           N  
HETATM   34  N   UNL     1     -10.337   1.389   0.009  1.00  0.00           N  
HETATM   35  C   UNL     1      -7.223  -0.662  -0.004  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.848  -0.560  -0.008  1.00  0.00           C  
HETATM   37  H   UNL     1       3.172  -6.688   0.001  1.00  0.00           H  
HETATM   38  H   UNL     1       4.404  -5.761  -0.889  1.00  0.00           H  
HETATM   39  H   UNL     1       4.403  -5.760   0.891  1.00  0.00           H  
HETATM   40  H   UNL     1       5.496  -4.219   0.002  1.00  0.00           H  
HETATM   41  H   UNL     1       6.583  -2.015   0.002  1.00  0.00           H  
HETATM   42  H   UNL     1       6.174   4.655  -0.008  1.00  0.00           H  
HETATM   43  H   UNL     1       5.042   4.104  -2.145  1.00  0.00           H  
HETATM   44  H   UNL     1       3.559   3.690  -1.252  1.00  0.00           H  
HETATM   45  H   UNL     1       4.154   5.367  -1.259  1.00  0.00           H  
HETATM   46  H   UNL     1       5.045   4.120   2.134  1.00  0.00           H  
HETATM   47  H   UNL     1       4.156   5.377   1.240  1.00  0.00           H  
HETATM   48  H   UNL     1       3.560   3.699   1.246  1.00  0.00           H  
HETATM   49  H   UNL     1       8.576   0.361  -1.271  1.00  0.00           H  
HETATM   50  H   UNL     1       7.425  -0.996  -1.240  1.00  0.00           H  
HETATM   51  H   UNL     1       7.025   0.490  -2.135  1.00  0.00           H  
HETATM   52  H   UNL     1       7.028   0.507   2.148  1.00  0.00           H  
HETATM   53  H   UNL     1       7.427  -0.986   1.264  1.00  0.00           H  
HETATM   54  H   UNL     1       8.578   0.371   1.283  1.00  0.00           H  
HETATM   55  H   UNL     1       2.732  -0.123  -0.001  1.00  0.00           H  
HETATM   56  H   UNL     1       0.889  -0.561   0.890  1.00  0.00           H  
HETATM   57  H   UNL     1       0.890  -0.554  -0.890  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.114  -2.015  -0.896  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.115  -2.021   0.884  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.399   0.442   0.893  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.398   0.449  -0.887  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.402  -1.012  -0.893  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.403  -1.018   0.887  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.544   2.811   0.010  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.997   2.643   0.010  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.874  -1.667  -0.009  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.693  -1.634  -0.007  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.241  -1.454  -0.012  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    1                                                 
CONECT    3   19   19    4    2                                       
CONECT    4    5    5    3   40                                       
CONECT    5    6    4    4   41                                       
CONECT    6    7   18   18    5                                       
CONECT    7    8    8   15    6                                       
CONECT    8    9    7    7                                            
CONECT    9   10   13    8                                            
CONECT   10   11   12    9   42                                       
CONECT   11   10   43   44   45                                       
CONECT   12   10   46   47   48                                       
CONECT   13   14   14    9   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   17    7   16                                       
CONECT   16   15   49   50   51                                       
CONECT   17   15   52   53   54                                       
CONECT   18    6    6   19   55                                       
CONECT   19   18   20    3    3                                       
CONECT   20   21   19                                                 
CONECT   21   22   20   56   57                                       
CONECT   22   23   21   58   59                                       
CONECT   23   24   22   60   61                                       
CONECT   24   25   23   62   63                                       
CONECT   25   26   24                                                 
CONECT   26   36   36   27   25                                       
CONECT   27   28   28   26   64                                       
CONECT   28   29   27   27   65                                       
CONECT   29   30   35   35   28                                       
CONECT   30   31   34   34   29                                       
CONECT   31   32   30   66                                            
CONECT   32   33   33   31                                            
CONECT   33   32   32   34                                            
CONECT   34   33   30   30                                            
CONECT   35   29   29   36   67                                       
CONECT   36   35   26   26   68                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
