COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.065   1.685   0.049  1.00  0.00           C  
HETATM    2  O   UNL     1       3.715   0.780   0.738  1.00  0.00           O  
HETATM    3  N   UNL     1      -2.849   1.773  -0.490  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.196   2.913  -0.509  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.702   4.014   0.064  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.866   3.980   0.686  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.590   2.805   0.706  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.951   3.110  -1.100  1.00  0.00           N  
HETATM    9  C   UNL     1       0.223   2.513  -0.621  1.00  0.00           C  
HETATM   10  C   UNL     1       0.208   1.228  -0.111  1.00  0.00           C  
HETATM   11  C   UNL     1       1.382   0.637   0.324  1.00  0.00           C  
HETATM   12  C   UNL     1       2.564   1.357   0.301  1.00  0.00           C  
HETATM   13  C   UNL     1       2.581   2.670  -0.168  1.00  0.00           C  
HETATM   14  C   UNL     1       1.410   3.245  -0.628  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.869   0.435   0.019  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.248   0.479   0.260  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.989  -0.688   0.241  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.366  -1.899  -0.020  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.012  -1.945  -0.280  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.261  -0.787  -0.269  1.00  0.00           C  
HETATM   21  C   UNL     1       1.324  -0.809   0.773  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.330  -3.259  -0.570  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.421  -3.548   0.498  1.00  0.00           O  
HETATM   24  O   UNL     1       0.871  -1.581  -0.351  1.00  0.00           O  
HETATM   25  C   UNL     1       1.028  -2.993  -0.214  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.222  -3.604   0.364  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.231  -3.912  -0.414  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.461  -4.560   0.171  1.00  0.00           C  
HETATM   29  C   UNL     1       4.900   1.577   0.688  1.00  0.00           C  
HETATM   30  C   UNL     1       6.084   0.764   1.217  1.00  0.00           C  
HETATM   31  N   UNL     1       6.340  -0.370   0.319  1.00  0.00           N  
HETATM   32  C   UNL     1       7.314  -1.309   0.915  1.00  0.00           C  
HETATM   33  C   UNL     1       8.151  -1.888  -0.241  1.00  0.00           C  
HETATM   34  C   UNL     1       7.612  -1.196  -1.515  1.00  0.00           C  
HETATM   35  C   UNL     1       6.948   0.088  -0.957  1.00  0.00           C  
HETATM   36  H   UNL     1      -4.248   4.864   1.175  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.541   2.751   1.217  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.894   3.686  -1.878  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.723   0.683  -0.051  1.00  0.00           H  
HETATM   40  H   UNL     1       3.502   3.234  -0.171  1.00  0.00           H  
HETATM   41  H   UNL     1       1.415   4.261  -0.994  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.732   1.423   0.461  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.051  -0.656   0.430  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.944  -2.811  -0.020  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.203  -0.828  -0.483  1.00  0.00           H  
HETATM   46  H   UNL     1       2.315  -1.144   1.079  1.00  0.00           H  
HETATM   47  H   UNL     1       0.624  -0.913   1.603  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.075  -4.050  -0.640  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.783  -3.187  -1.510  1.00  0.00           H  
HETATM   50  H   UNL     1       1.225  -3.431  -1.192  1.00  0.00           H  
HETATM   51  H   UNL     1       1.867  -3.200   0.449  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.293  -3.789   1.427  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.180  -3.713  -1.474  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.190  -5.107   1.073  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.891  -5.248  -0.557  1.00  0.00           H  
HETATM   56  H   UNL     1       5.095   1.874  -0.342  1.00  0.00           H  
HETATM   57  H   UNL     1       4.766   2.466   1.304  1.00  0.00           H  
HETATM   58  H   UNL     1       6.969   1.399   1.262  1.00  0.00           H  
HETATM   59  H   UNL     1       5.853   0.392   2.215  1.00  0.00           H  
HETATM   60  H   UNL     1       7.962  -0.779   1.613  1.00  0.00           H  
HETATM   61  H   UNL     1       6.788  -2.111   1.434  1.00  0.00           H  
HETATM   62  H   UNL     1       9.205  -1.651  -0.100  1.00  0.00           H  
HETATM   63  H   UNL     1       8.009  -2.966  -0.308  1.00  0.00           H  
HETATM   64  H   UNL     1       8.428  -0.945  -2.192  1.00  0.00           H  
HETATM   65  H   UNL     1       6.877  -1.827  -2.015  1.00  0.00           H  
HETATM   66  H   UNL     1       6.181   0.453  -1.640  1.00  0.00           H  
HETATM   67  H   UNL     1       7.697   0.859  -0.771  1.00  0.00           H  
CONECT    1    7   15    3    3                                       
CONECT    2   12   29                                                 
CONECT    3    1    1    4                                            
CONECT    4    5    5    3    8                                       
CONECT    5    6    4    4                                            
CONECT    6    7    7    5   36                                       
CONECT    7    6    6    1   37                                       
CONECT    8    4    9   38                                            
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   39                                       
CONECT   11   10   21   12   12                                       
CONECT   12   11   11   13    2                                       
CONECT   13   14   14   12   40                                       
CONECT   14    9   13   13   41                                       
CONECT   15   16    1   20   20                                       
CONECT   16   17   17   15   42                                       
CONECT   17   16   16   18   43                                       
CONECT   18   17   19   19   44                                       
CONECT   19   18   18   20   22                                       
CONECT   20   15   15   19   45                                       
CONECT   21   24   11   46   47                                       
CONECT   22   19   23   48   49                                       
CONECT   23   28   22                                                 
CONECT   24   25   21                                                 
CONECT   25   26   24   50   51                                       
CONECT   26   27   27   25   52                                       
CONECT   27   28   26   26   53                                       
CONECT   28   27   23   54   55                                       
CONECT   29    2   30   56   57                                       
CONECT   30   31   29   58   59                                       
CONECT   31   32   35   30                                            
CONECT   32   33   31   60   61                                       
CONECT   33   32   34   62   63                                       
CONECT   34   33   35   64   65                                       
CONECT   35   31   34   66   67                                       
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
