COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.336   2.685  -0.363  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.156  -1.342   0.345  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.492  -1.214   0.396  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.840   0.093   0.192  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.183   1.036  -0.261  1.00  0.00           C  
HETATM    6  C   UNL     1       0.282   0.923  -0.320  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.049  -0.007  -0.042  1.00  0.00           N  
HETATM    8  C   UNL     1       1.177   1.966  -0.184  1.00  0.00           C  
HETATM    9  C   UNL     1       2.455   1.424  -0.305  1.00  0.00           C  
HETATM   10  C   UNL     1       2.296   0.062  -0.513  1.00  0.00           C  
HETATM   11  C   UNL     1       3.333  -0.872  -0.688  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.864   2.150  -0.408  1.00  0.00           N  
HETATM   13  C   UNL     1       4.653  -0.481  -0.528  1.00  0.00           C  
HETATM   14  C   UNL     1       4.972   0.921  -0.227  1.00  0.00           C  
HETATM   15  C   UNL     1       5.161   2.778   1.340  1.00  0.00           C  
HETATM   16  N   UNL     1       4.951   1.357   1.048  1.00  0.00           N  
HETATM   17  N   UNL     1       6.541  -2.206  -0.760  1.00  0.00           N  
HETATM   18  C   UNL     1       5.706  -1.443  -0.658  1.00  0.00           C  
HETATM   19  O   UNL     1       5.255   1.688  -1.128  1.00  0.00           O  
HETATM   20  C   UNL     1       4.719   0.412   2.143  1.00  0.00           C  
HETATM   21  O   UNL     1       0.975  -0.214  -0.511  1.00  0.00           O  
HETATM   22  C   UNL     1      -3.180   1.894  -0.295  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.528   2.158  -0.212  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.319   0.512  -0.059  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.610  -0.008   0.096  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.713   0.858   0.007  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.686  -1.410   0.170  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.688  -1.510   1.325  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.308  -2.975   1.546  1.00  0.00           C  
HETATM   30  C   UNL     1       0.328  -3.535   0.272  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.670  -3.435  -0.883  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.050  -1.970  -1.104  1.00  0.00           C  
HETATM   33  H   UNL     1      -4.243   3.747  -0.539  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.592  -2.255   0.470  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.187  -2.022   0.571  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.749   0.432   0.184  1.00  0.00           H  
HETATM   37  H   UNL     1       0.933   3.004  -0.015  1.00  0.00           H  
HETATM   38  H   UNL     1       3.390   1.962  -0.249  1.00  0.00           H  
HETATM   39  H   UNL     1       3.100  -1.895  -0.947  1.00  0.00           H  
HETATM   40  H   UNL     1       4.339   3.359   0.922  1.00  0.00           H  
HETATM   41  H   UNL     1       5.198   2.925   2.419  1.00  0.00           H  
HETATM   42  H   UNL     1       6.101   3.105   0.896  1.00  0.00           H  
HETATM   43  H   UNL     1       3.647   0.271   2.281  1.00  0.00           H  
HETATM   44  H   UNL     1       5.182  -0.545   1.900  1.00  0.00           H  
HETATM   45  H   UNL     1       5.156   0.804   3.061  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.580  -1.984   0.412  1.00  0.00           H  
HETATM   47  H   UNL     1       0.206  -0.935   1.083  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.141  -1.111   2.233  1.00  0.00           H  
HETATM   49  H   UNL     1       0.403  -3.046   2.369  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.203  -3.550   1.788  1.00  0.00           H  
HETATM   51  H   UNL     1       1.222  -2.961   0.030  1.00  0.00           H  
HETATM   52  H   UNL     1       0.598  -4.579   0.430  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.217  -3.834  -1.790  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.565  -4.010  -0.641  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.761  -1.899  -1.927  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.155  -1.395  -1.346  1.00  0.00           H  
CONECT    1   22   22   23   33                                       
CONECT    2   25    3    3   34                                       
CONECT    3    2    2    4   35                                       
CONECT    4   26    3   36                                            
CONECT    5    6   12   12    7                                       
CONECT    6   21    8    8    5                                       
CONECT    7    5   27   24                                            
CONECT    8    9    6    6   37                                       
CONECT    9   10   10    8   38                                       
CONECT   10   11    9    9   21                                       
CONECT   11   13   13   10   39                                       
CONECT   12    5    5   22                                            
CONECT   13   18   11   11   14                                       
CONECT   14   13   16   19   19                                       
CONECT   15   16   40   41   42                                       
CONECT   16   20   15   14                                            
CONECT   17   18   18   18                                            
CONECT   18   17   17   17   13                                       
CONECT   19   14   14                                                 
CONECT   20   16   43   44   45                                       
CONECT   21   10    6                                                 
CONECT   22   12    1    1   24                                       
CONECT   23    1   26   26                                            
CONECT   24    7   22   25   25                                       
CONECT   25   24   24   26    2                                       
CONECT   26   23   23   25    4                                       
CONECT   27   32    7   28   46                                       
CONECT   28   27   29   47   48                                       
CONECT   29   30   28   49   50                                       
CONECT   30   31   29   51   52                                       
CONECT   31   32   30   53   54                                       
CONECT   32   31   27   55   56                                       
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
