COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.928   2.955  -0.859  1.00  0.00           C  
HETATM    2  C   UNL     1       1.592   2.076   0.183  1.00  0.00           C  
HETATM    3  C   UNL     1       3.932  -2.113   0.039  1.00  0.00           C  
HETATM    4  C   UNL     1       2.325  -0.617  -0.796  1.00  0.00           C  
HETATM    5  C   UNL     1       3.475  -4.051  -1.810  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.124  -0.623   0.784  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.253   0.341   1.538  1.00  0.00           C  
HETATM    8  O   UNL     1       3.222   1.709   1.806  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.247  -1.007  -0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.722   2.734  -0.022  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.271  -2.240  -0.489  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.217  -0.633   3.858  1.00  0.00           C  
HETATM   13  C   UNL     1       2.634   1.272   0.835  1.00  0.00           C  
HETATM   14  O   UNL     1       3.216   3.061  -1.271  1.00  0.00           O  
HETATM   15  C   UNL     1       4.679  -3.280   0.100  1.00  0.00           C  
HETATM   16  C   UNL     1       0.253   1.971   0.599  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.364  -0.857  -2.227  1.00  0.00           C  
HETATM   18  N   UNL     1       2.782  -2.931  -1.834  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.071   0.250   0.455  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.379   3.600  -1.051  1.00  0.00           C  
HETATM   21  C   UNL     1       0.942   3.710  -1.467  1.00  0.00           C  
HETATM   22  C   UNL     1       3.947  -0.872   0.894  1.00  0.00           C  
HETATM   23  C   UNL     1       2.982  -1.966  -0.952  1.00  0.00           C  
HETATM   24  C   UNL     1       4.442  -4.265  -0.846  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.318  -0.496  -1.401  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.341  -1.724  -1.770  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.229  -1.885   0.345  1.00  0.00           C  
HETATM   28  N   UNL     1      -1.778  -0.441   2.518  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.945  -1.035   2.021  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.091   1.104   1.629  1.00  0.00           N  
HETATM   31  N   UNL     1       2.939   0.049   0.358  1.00  0.00           N  
HETATM   32  O   UNL     1      -1.340   4.345  -1.654  1.00  0.00           O  
HETATM   33  H   UNL     1       2.486  -0.021  -1.694  1.00  0.00           H  
HETATM   34  H   UNL     1       1.256  -0.743  -0.623  1.00  0.00           H  
HETATM   35  H   UNL     1       3.280  -4.814  -2.549  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.751   2.655   0.295  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.033  -2.920  -0.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.526  -1.476   3.845  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.685   0.268   4.162  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.023  -0.835   4.563  1.00  0.00           H  
HETATM   41  H   UNL     1       3.724   3.739  -0.806  1.00  0.00           H  
HETATM   42  H   UNL     1       5.427  -3.418   0.866  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.424  -0.457  -3.228  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.936   0.758  -0.488  1.00  0.00           H  
HETATM   45  H   UNL     1       1.199   4.386  -2.269  1.00  0.00           H  
HETATM   46  H   UNL     1       3.701  -1.130   1.924  1.00  0.00           H  
HETATM   47  H   UNL     1       4.931  -0.407   0.852  1.00  0.00           H  
HETATM   48  H   UNL     1       5.007  -5.186  -0.831  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.557   0.182  -1.758  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.160  -2.000  -2.417  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.176  -2.289   1.345  1.00  0.00           H  
HETATM   52  H   UNL     1       0.478   1.030   2.411  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.487   5.207  -1.241  1.00  0.00           H  
CONECT    1   14    2    2   21                                       
CONECT    2   13    1    1   16                                       
CONECT    3   15   23   23   22                                       
CONECT    4   23   31   33   34                                       
CONECT    5   24   18   18   35                                       
CONECT    6   29   29   19    9                                       
CONECT    7   28   30   19   19                                       
CONECT    8   13   13                                                 
CONECT    9    6   25   25   27                                       
CONECT   10   16   16   20   36                                       
CONECT   11   27   27   26   37                                       
CONECT   12   28   38   39   40                                       
CONECT   13   31    8    8    2                                       
CONECT   14    1   41                                                 
CONECT   15   24   24    3   42                                       
CONECT   16    2   30   10   10                                       
CONECT   17   25   26   26   43                                       
CONECT   18    5    5   23                                            
CONECT   19    7    7    6   44                                       
CONECT   20   21   21   10   32                                       
CONECT   21    1   20   20   45                                       
CONECT   22    3   31   46   47                                       
CONECT   23   18    3    3    4                                       
CONECT   24    5   15   15   48                                       
CONECT   25    9    9   17   49                                       
CONECT   26   17   17   11   50                                       
CONECT   27    9   11   11   51                                       
CONECT   28   12   29    7                                            
CONECT   29   28    6    6                                            
CONECT   30   16    7   52                                            
CONECT   31   22    4   13                                            
CONECT   32   20   53                                                 
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   30                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
