COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.225   2.491  -2.254  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.831   3.157  -1.442  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.839   4.177  -1.905  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.608   2.980  -0.124  1.00  0.00           N  
HETATM    5  C   UNL     1      -0.632   1.985   0.326  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.307   0.631   0.402  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.649   0.637   0.478  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.076   2.411   1.670  1.00  0.00           C  
HETATM    9  C   UNL     1       0.661   1.261   2.350  1.00  0.00           C  
HETATM   10  C   UNL     1       1.539   0.557   1.347  1.00  0.00           C  
HETATM   11  C   UNL     1       2.902   0.767   1.352  1.00  0.00           C  
HETATM   12  C   UNL     1       3.711   0.109   0.433  1.00  0.00           C  
HETATM   13  C   UNL     1       3.153  -0.764  -0.495  1.00  0.00           C  
HETATM   14  C   UNL     1       1.780  -0.977  -0.508  1.00  0.00           C  
HETATM   15  O   UNL     1       1.227  -1.829  -1.411  1.00  0.00           O  
HETATM   16  C   UNL     1       0.927  -1.298  -2.703  1.00  0.00           C  
HETATM   17  O   UNL     1       3.951  -1.408  -1.389  1.00  0.00           O  
HETATM   18  C   UNL     1       4.478  -2.676  -0.993  1.00  0.00           C  
HETATM   19  O   UNL     1       5.053   0.320   0.441  1.00  0.00           O  
HETATM   20  C   UNL     1       5.562   1.229   1.419  1.00  0.00           C  
HETATM   21  C   UNL     1       0.973  -0.307   0.416  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.506  -0.512   0.390  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.948  -1.810   0.361  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.179  -2.356   0.378  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.386  -1.735   0.459  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.582  -0.360   0.535  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.742   0.004   0.670  1.00  0.00           O  
HETATM   28  O   UNL     1      -4.490  -2.521   0.467  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.282  -3.932   0.389  1.00  0.00           C  
HETATM   30  H   UNL     1      -2.886   4.173  -2.994  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.820   3.929  -1.499  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.542   5.166  -1.558  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.093   3.513   0.525  1.00  0.00           H  
HETATM   34  H   UNL     1       0.184   1.936  -0.395  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.076   1.629   0.499  1.00  0.00           H  
HETATM   36  H   UNL     1       0.615   3.242   1.524  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.896   2.738   2.309  1.00  0.00           H  
HETATM   38  H   UNL     1       1.277   1.652   3.159  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.064   0.555   2.755  1.00  0.00           H  
HETATM   40  H   UNL     1       3.342   1.443   2.071  1.00  0.00           H  
HETATM   41  H   UNL     1       0.285  -0.424  -2.597  1.00  0.00           H  
HETATM   42  H   UNL     1       1.852  -1.012  -3.202  1.00  0.00           H  
HETATM   43  H   UNL     1       0.413  -2.055  -3.296  1.00  0.00           H  
HETATM   44  H   UNL     1       5.025  -3.118  -1.825  1.00  0.00           H  
HETATM   45  H   UNL     1       5.150  -2.542  -0.146  1.00  0.00           H  
HETATM   46  H   UNL     1       3.659  -3.336  -0.706  1.00  0.00           H  
HETATM   47  H   UNL     1       5.317   0.863   2.417  1.00  0.00           H  
HETATM   48  H   UNL     1       6.644   1.306   1.316  1.00  0.00           H  
HETATM   49  H   UNL     1       5.112   2.210   1.272  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.152  -2.538   0.316  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.212  -3.434   0.319  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.758  -4.172  -0.537  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.684  -4.259   1.240  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.245  -4.443   0.404  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   30   31   32                                       
CONECT    4    2    5   33                                            
CONECT    5    4    6    8   34                                       
CONECT    6    5    7    7   22                                       
CONECT    7    6    6   26   35                                       
CONECT    8    5    9   36   37                                       
CONECT    9    8   10   38   39                                       
CONECT   10    9   11   11   21                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   13   19                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   21   21                                       
CONECT   15   14   16                                                 
CONECT   16   15   41   42   43                                       
CONECT   17   13   18                                                 
CONECT   18   17   44   45   46                                       
CONECT   19   12   20                                                 
CONECT   20   19   47   48   49                                       
CONECT   21   10   14   14   22                                       
CONECT   22    6   21   23   23                                       
CONECT   23   22   22   24   50                                       
CONECT   24   23   25   25   51                                       
CONECT   25   24   24   26   28                                       
CONECT   26    7   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   25   29                                                 
CONECT   29   28   52   53   54                                       
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
