COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.010   2.788  -1.038  1.00  0.00           O  
HETATM    2  C   UNL     1       1.237   2.168  -0.340  1.00  0.00           C  
HETATM    3  N   UNL     1       1.229   0.838  -0.187  1.00  0.00           N  
HETATM    4  C   UNL     1       2.181  -0.043  -0.867  1.00  0.00           C  
HETATM    5  C   UNL     1       3.422  -0.227   0.009  1.00  0.00           C  
HETATM    6  C   UNL     1       4.416  -1.148  -0.701  1.00  0.00           C  
HETATM    7  N   UNL     1       5.607  -1.325   0.140  1.00  0.00           N1+
HETATM    8  C   UNL     1       5.216  -1.924   1.423  1.00  0.00           C  
HETATM    9  C   UNL     1       6.235  -0.019   0.381  1.00  0.00           C  
HETATM   10  C   UNL     1       6.562  -2.209  -0.542  1.00  0.00           C  
HETATM   11  C   UNL     1       0.132   2.775   0.494  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.526   1.543   1.170  1.00  0.00           C  
HETATM   13  C   UNL     1       0.277   0.380   0.634  1.00  0.00           C  
HETATM   14  O   UNL     1       0.081  -0.788   0.897  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.945   3.362  -0.440  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.786   4.379   0.356  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.256   4.030   0.053  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.194   2.845  -0.932  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.862   2.218  -0.724  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.948   1.503   0.570  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.389   0.078   0.353  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.261  -0.517   1.247  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.667  -1.821   1.054  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.198  -2.539  -0.045  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.631  -3.940  -0.258  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.451  -4.503   0.582  1.00  0.00           N  
HETATM   27  N   UNL     1      -3.165  -4.647  -1.345  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.319  -1.934  -0.943  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.924  -0.627  -0.742  1.00  0.00           C  
HETATM   30  H   UNL     1       2.472   0.401  -1.819  1.00  0.00           H  
HETATM   31  H   UNL     1       1.715  -1.012  -1.045  1.00  0.00           H  
HETATM   32  H   UNL     1       3.131  -0.672   0.961  1.00  0.00           H  
HETATM   33  H   UNL     1       3.888   0.742   0.188  1.00  0.00           H  
HETATM   34  H   UNL     1       4.706  -0.704  -1.653  1.00  0.00           H  
HETATM   35  H   UNL     1       3.950  -2.117  -0.879  1.00  0.00           H  
HETATM   36  H   UNL     1       4.507  -1.268   1.930  1.00  0.00           H  
HETATM   37  H   UNL     1       4.750  -2.893   1.245  1.00  0.00           H  
HETATM   38  H   UNL     1       6.099  -2.055   2.048  1.00  0.00           H  
HETATM   39  H   UNL     1       7.119  -0.150   1.005  1.00  0.00           H  
HETATM   40  H   UNL     1       6.525   0.426  -0.571  1.00  0.00           H  
HETATM   41  H   UNL     1       5.527   0.637   0.887  1.00  0.00           H  
HETATM   42  H   UNL     1       6.096  -3.178  -0.720  1.00  0.00           H  
HETATM   43  H   UNL     1       6.852  -1.764  -1.494  1.00  0.00           H  
HETATM   44  H   UNL     1       7.445  -2.340   0.083  1.00  0.00           H  
HETATM   45  H   UNL     1       0.502   3.504   1.215  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.532   1.599   2.259  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.520   3.792  -1.347  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.587   4.279   1.423  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.564   5.393   0.024  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.771   3.735   0.968  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.759   4.879  -0.408  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.989   2.132  -0.715  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.277   3.203  -1.958  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.639   2.015   1.241  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.623   0.040   2.099  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.348  -2.285   1.753  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.734  -5.420   0.443  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.554  -4.227  -1.971  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.448  -5.564  -1.485  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.953  -2.485  -1.796  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.244  -0.157  -1.437  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4   13                                            
CONECT    4    3    5   30   31                                       
CONECT    5    4    6   32   33                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8    9   10                                       
CONECT    8    7   36   37   38                                       
CONECT    9    7   39   40   41                                       
CONECT   10    7   42   43   44                                       
CONECT   11    2   12   15   45                                       
CONECT   12   11   13   20   46                                       
CONECT   13    3   12   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   11   16   19   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   52   53                                       
CONECT   19   15   18   20                                            
CONECT   20   12   19   21   54                                       
CONECT   21   20   22   22   29                                       
CONECT   22   21   21   23   55                                       
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   25   28                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25   57                                            
CONECT   27   25   58   59                                            
CONECT   28   24   29   29   60                                       
CONECT   29   21   28   28   61                                       
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
