COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.729   4.645  -0.801  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.837   3.794  -0.158  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.896   4.301   0.625  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.025   3.536   1.258  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.060   2.165   1.129  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.946   2.422  -0.339  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.038   1.580   0.311  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.110   0.116   0.145  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.242  -0.666   0.184  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.856  -1.945  -0.014  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.778  -3.136  -0.048  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.543  -3.151  -1.373  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.957  -4.420   0.082  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.771  -3.046   1.113  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.054  -0.747  -0.087  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.562  -1.991  -0.170  1.00  0.00           N  
HETATM   17  C   UNL     1       0.373  -0.373  -0.218  1.00  0.00           C  
HETATM   18  C   UNL     1       1.353  -1.225   0.259  1.00  0.00           C  
HETATM   19  C   UNL     1       2.703  -0.865   0.132  1.00  0.00           C  
HETATM   20  C   UNL     1       3.042   0.367  -0.483  1.00  0.00           C  
HETATM   21  C   UNL     1       2.021   1.212  -0.958  1.00  0.00           C  
HETATM   22  C   UNL     1       0.721   0.843  -0.831  1.00  0.00           C  
HETATM   23  C   UNL     1       3.727  -1.706   0.607  1.00  0.00           C  
HETATM   24  C   UNL     1       5.026  -1.329   0.470  1.00  0.00           C  
HETATM   25  C   UNL     1       5.362  -0.115  -0.137  1.00  0.00           C  
HETATM   26  C   UNL     1       4.394   0.725  -0.608  1.00  0.00           C  
HETATM   27  O   UNL     1       6.670   0.234  -0.259  1.00  0.00           O  
HETATM   28  C   UNL     1       7.637  -0.685   0.253  1.00  0.00           C  
HETATM   29  H   UNL     1      -3.660   5.605  -0.675  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.417   4.280  -1.378  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.717   2.012  -0.974  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.274   3.992   1.886  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.343   1.549   1.651  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.150  -0.356   0.327  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.836  -3.215  -2.200  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.210  -4.012  -1.398  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.128  -2.236  -1.465  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.413  -4.410   1.026  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.625  -5.282   0.057  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.250  -4.485  -0.745  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.356  -2.130   1.021  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.438  -3.907   1.088  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.226  -3.035   2.057  1.00  0.00           H  
HETATM   44  H   UNL     1       1.081  -2.160   0.726  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.056   1.495  -1.202  1.00  0.00           H  
HETATM   46  H   UNL     1       3.481  -2.646   1.078  1.00  0.00           H  
HETATM   47  H   UNL     1       2.273   2.151  -1.428  1.00  0.00           H  
HETATM   48  H   UNL     1       4.667   1.660  -1.075  1.00  0.00           H  
HETATM   49  H   UNL     1       5.809  -1.977   0.835  1.00  0.00           H  
HETATM   50  H   UNL     1       8.638  -0.286   0.092  1.00  0.00           H  
HETATM   51  H   UNL     1       7.471  -0.830   1.320  1.00  0.00           H  
HETATM   52  H   UNL     1       7.540  -1.640  -0.263  1.00  0.00           H  
CONECT    1    2   29   30                                            
CONECT    2    1    3    3    6                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   32                                       
CONECT    5    4    4    7   33                                       
CONECT    6    2    7    7   31                                       
CONECT    7    5    6    6    8                                       
CONECT    8    7    9   15   15                                       
CONECT    9    8   10   34                                            
CONECT   10    9   11   16   16                                       
CONECT   11   10   12   13   14                                       
CONECT   12   11   35   36   37                                       
CONECT   13   11   38   39   40                                       
CONECT   14   11   41   42   43                                       
CONECT   15    8    8   16   17                                       
CONECT   16   10   10   15                                            
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   44                                       
CONECT   19   18   20   20   23                                       
CONECT   20   19   19   21   26                                       
CONECT   21   20   22   22   47                                       
CONECT   22   17   21   21   45                                       
CONECT   23   19   24   24   46                                       
CONECT   24   23   23   25   49                                       
CONECT   25   24   26   26   27                                       
CONECT   26   20   25   25   48                                       
CONECT   27   25   28                                                 
CONECT   28   27   50   51   52                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    6                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    9                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   18                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   21                                                      
CONECT   48   26                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
