COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.323   2.280  -0.269  1.00  0.00           C  
HETATM    2  C   UNL     1       4.587   3.599  -0.064  1.00  0.00           C  
HETATM    3  C   UNL     1       3.527   4.495   0.145  1.00  0.00           C  
HETATM    4  C   UNL     1       2.253   4.049   0.143  1.00  0.00           C  
HETATM    5  C   UNL     1       0.684   2.321  -0.056  1.00  0.00           C  
HETATM    6  C   UNL     1       2.986   1.828  -0.269  1.00  0.00           C  
HETATM    7  C   UNL     1       1.517   0.028  -0.486  1.00  0.00           C  
HETATM    8  C   UNL     1       0.414   0.900  -0.277  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.883   0.392  -0.288  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.828  -0.353   0.112  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.647   1.527   0.855  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.343   1.385  -0.486  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.412   0.432  -0.870  1.00  0.00           C  
HETATM   14  C   UNL     1       2.940  -2.701   0.442  1.00  0.00           C  
HETATM   15  C   UNL     1       4.562  -2.184   2.012  1.00  0.00           C  
HETATM   16  C   UNL     1       5.269  -3.139   1.011  1.00  0.00           C  
HETATM   17  C   UNL     1       4.073  -3.722   0.220  1.00  0.00           C  
HETATM   18  N   UNL     1       1.975   2.728  -0.061  1.00  0.00           N  
HETATM   19  C   UNL     1       5.451   1.309  -0.501  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.223   3.112   0.128  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.048  -0.977  -0.508  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.395  -1.570  -0.530  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.811  -1.403  -0.255  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.185  -0.157   1.432  1.00  0.00           C  
HETATM   25  C   UNL     1       0.092  -1.786  -0.708  1.00  0.00           C  
HETATM   26  C   UNL     1       2.458  -2.157  -0.904  1.00  0.00           C  
HETATM   27  N   UNL     1       2.753   0.536  -0.471  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.470  -0.813  -0.233  1.00  0.00           N  
HETATM   29  N   UNL     1      -7.071   0.763   1.762  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.069  -3.139  -0.925  1.00  0.00           N  
HETATM   31  N   UNL     1       1.308  -1.275  -0.691  1.00  0.00           N1+
HETATM   32  O   UNL     1      -2.539  -2.743  -0.818  1.00  0.00           O  
HETATM   33  O   UNL     1       3.475  -1.631   1.239  1.00  0.00           O  
HETATM   34  H   UNL     1       5.607   3.955  -0.063  1.00  0.00           H  
HETATM   35  H   UNL     1       3.731   5.543   0.308  1.00  0.00           H  
HETATM   36  H   UNL     1       1.444   4.745   0.305  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.734   1.038  -0.132  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.370   2.268   1.163  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.825   2.008  -1.225  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.149   0.305  -1.910  1.00  0.00           H  
HETATM   41  H   UNL     1       2.111  -3.176   0.968  1.00  0.00           H  
HETATM   42  H   UNL     1       4.180  -2.741   2.867  1.00  0.00           H  
HETATM   43  H   UNL     1       5.239  -1.395   2.341  1.00  0.00           H  
HETATM   44  H   UNL     1       5.938  -2.585   0.352  1.00  0.00           H  
HETATM   45  H   UNL     1       5.809  -3.925   1.539  1.00  0.00           H  
HETATM   46  H   UNL     1       3.792  -4.697   0.617  1.00  0.00           H  
HETATM   47  H   UNL     1       4.317  -3.796  -0.840  1.00  0.00           H  
HETATM   48  H   UNL     1       5.665   1.248  -1.568  1.00  0.00           H  
HETATM   49  H   UNL     1       6.340   1.652   0.028  1.00  0.00           H  
HETATM   50  H   UNL     1       5.165   0.324  -0.131  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.859  -2.222   0.461  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.024  -1.781  -1.255  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.734  -0.765   2.203  1.00  0.00           H  
HETATM   54  H   UNL     1       3.263  -1.597  -1.379  1.00  0.00           H  
HETATM   55  H   UNL     1       2.165  -2.987  -1.547  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.356   0.123  -0.003  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.870  -3.468  -1.360  1.00  0.00           H  
HETATM   58  H   UNL     1       0.620  -3.761  -0.642  1.00  0.00           H  
CONECT    1   19    2    2    6                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3   18   36                                       
CONECT    5   18    8   20   20                                       
CONECT    6    1   27   27   18                                       
CONECT    7   27   31    8    8                                       
CONECT    8    7    7    5    9                                       
CONECT    9    8   21   21   37                                       
CONECT   10   23   24   24   13                                       
CONECT   11   29   29   12   38                                       
CONECT   12   13   13   11   39                                       
CONECT   13   10   12   12   40                                       
CONECT   14   17   33   26   41                                       
CONECT   15   16   33   42   43                                       
CONECT   16   15   17   44   45                                       
CONECT   17   16   14   46   47                                       
CONECT   18    6    4    5                                            
CONECT   19    1   48   49   50                                       
CONECT   20    5    5                                                 
CONECT   21   25    9    9   22                                       
CONECT   22   21   32   32   28                                       
CONECT   23   28   10   51   52                                       
CONECT   24   10   10   29   53                                       
CONECT   25   31   31   30   21                                       
CONECT   26   14   31   54   55                                       
CONECT   27    6    6    7                                            
CONECT   28   22   23   56                                            
CONECT   29   24   11   11                                            
CONECT   30   25   57   58                                            
CONECT   31   26    7   25   25                                       
CONECT   32   22   22                                                 
CONECT   33   15   14                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
