COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.843  -0.004  -0.717  1.00  0.00           N  
HETATM    2  O   UNL     1       4.355   1.725  -1.106  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.469  -1.261  -0.997  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.266  -2.019  -1.508  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.078  -1.750  -0.690  1.00  0.00           C  
HETATM    6  O   UNL     1      -2.408   2.015   0.057  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.103  -0.570  -0.759  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.648  -0.351   1.152  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.594   0.525   0.194  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.412   0.441   0.084  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.011   0.891  -0.162  1.00  0.00           C  
HETATM   12  C   UNL     1       1.293  -1.031  -0.336  1.00  0.00           C  
HETATM   13  C   UNL     1       2.288   0.115  -0.525  1.00  0.00           C  
HETATM   14  C   UNL     1       3.707  -0.391  -0.256  1.00  0.00           C  
HETATM   15  O   UNL     1       1.978   1.170   0.388  1.00  0.00           O  
HETATM   16  C   UNL     1       4.704   0.704  -0.563  1.00  0.00           C  
HETATM   17  C   UNL     1       6.149   0.488  -0.173  1.00  0.00           C  
HETATM   18  C   UNL     1       6.199   0.071   1.300  1.00  0.00           C  
HETATM   19  C   UNL     1       5.299  -1.147   1.515  1.00  0.00           C  
HETATM   20  C   UNL     1       3.845  -0.776   1.220  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.212   0.411  -1.035  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.214   0.151   1.259  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.665   0.560   1.000  1.00  0.00           C  
HETATM   24  C   UNL     1       6.933   1.787  -0.367  1.00  0.00           C  
HETATM   25  C   UNL     1       5.737  -2.274   0.576  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.106   0.139   0.147  1.00  0.00           C  
HETATM   27  H   UNL     1      -1.057  -2.182   0.311  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.788  -2.506  -1.420  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.070  -0.182  -1.777  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.559   0.158   1.220  1.00  0.00           H  
HETATM   31  H   UNL     1       0.043   1.404   0.098  1.00  0.00           H  
HETATM   32  H   UNL     1       1.275  -1.328   0.713  1.00  0.00           H  
HETATM   33  H   UNL     1       1.596  -1.880  -0.948  1.00  0.00           H  
HETATM   34  H   UNL     1       2.223   0.488  -1.547  1.00  0.00           H  
HETATM   35  H   UNL     1       3.911  -1.258  -0.884  1.00  0.00           H  
HETATM   36  H   UNL     1       2.017   0.909   1.319  1.00  0.00           H  
HETATM   37  H   UNL     1       6.581  -0.299  -0.791  1.00  0.00           H  
HETATM   38  H   UNL     1       7.224  -0.181   1.572  1.00  0.00           H  
HETATM   39  H   UNL     1       5.850   0.895   1.923  1.00  0.00           H  
HETATM   40  H   UNL     1       5.385  -1.484   2.548  1.00  0.00           H  
HETATM   41  H   UNL     1       3.552   0.068   1.845  1.00  0.00           H  
HETATM   42  H   UNL     1       3.201  -1.629   1.436  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.225   1.477  -1.263  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.570  -0.150  -1.898  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.170  -0.916   1.475  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.825   0.710   2.111  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.709   1.628   0.785  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.054   0.001   0.149  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.267   0.343   1.883  1.00  0.00           H  
HETATM   50  H   UNL     1       6.503   2.568   0.259  1.00  0.00           H  
HETATM   51  H   UNL     1       7.974   1.629  -0.085  1.00  0.00           H  
HETATM   52  H   UNL     1       6.882   2.090  -1.413  1.00  0.00           H  
HETATM   53  H   UNL     1       6.771  -2.543   0.789  1.00  0.00           H  
HETATM   54  H   UNL     1       5.096  -3.142   0.728  1.00  0.00           H  
HETATM   55  H   UNL     1       5.654  -1.938  -0.458  1.00  0.00           H  
CONECT    1    3   11   21                                            
CONECT    2   16   16                                                 
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    7   27   28                                       
CONECT    6   11   11                                                 
CONECT    7    5    9   12   29                                       
CONECT    8   26   26                                                 
CONECT    9    7   11   30   31                                       
CONECT   10   22   26                                                 
CONECT   11    1    6    6    9                                       
CONECT   12    7   13   32   33                                       
CONECT   13   12   14   15   34                                       
CONECT   14   13   16   20   35                                       
CONECT   15   13   36                                                 
CONECT   16    2    2   14   17                                       
CONECT   17   16   18   24   37                                       
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   25   40                                       
CONECT   20   14   19   41   42                                       
CONECT   21    1   26   43   44                                       
CONECT   22   10   23   45   46                                       
CONECT   23   22   47   48   49                                       
CONECT   24   17   50   51   52                                       
CONECT   25   19   53   54   55                                       
CONECT   26    8    8   10   21                                       
CONECT   27    5                                                      
CONECT   28    5                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32   12                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   15                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
