COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.333   0.145  -0.370  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.197   0.444  -1.542  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.608  -0.398   0.104  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.632  -0.563  -0.757  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.913  -1.110  -0.281  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.978  -1.282  -1.171  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.175  -1.794  -0.717  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.324  -2.138   0.615  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.275  -1.970   1.502  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.070  -1.465   1.062  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.309   0.310   0.491  1.00  0.00           N  
HETATM   12  CA  UNL     1      -0.034   0.854   0.017  1.00  0.00           C  
HETATM   13  C   UNL     1       1.077   0.389   0.923  1.00  0.00           C  
HETATM   14  O   UNL     1       0.829  -0.325   1.870  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.096   2.382   0.028  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.140   2.857  -0.985  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.202   4.386  -0.974  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.247   4.861  -1.987  1.00  0.00           C  
HETATM   19  C   UNL     1       4.664  -3.251  -0.752  1.00  0.00           C  
HETATM   20  CA  UNL     1       3.428   0.318   1.559  1.00  0.00           C  
HETATM   21  C   UNL     1       4.488  -2.181   0.333  1.00  0.00           C  
HETATM   22  C   UNL     1       5.874  -0.770  -1.168  1.00  0.00           C  
HETATM   23  C   UNL     1       4.739   0.265   0.772  1.00  0.00           C  
HETATM   24  C   UNL     1       3.572   1.279   2.711  1.00  0.00           C  
HETATM   25  C   UNL     1       4.636  -0.804  -0.318  1.00  0.00           C  
HETATM   26  C   UNL     1       6.114  -3.224  -1.237  1.00  0.00           C  
HETATM   27  N   UNL     1       2.348   0.769   0.679  1.00  0.00           N  
HETATM   28  N   UNL     1       6.510  -1.865  -1.586  1.00  0.00           N  
HETATM   29  O   UNL     1       2.847   2.242   2.788  1.00  0.00           O  
HETATM   30  O   UNL     1       6.320   0.310  -1.491  1.00  0.00           O  
HETATM   31  H   UNL     1      -3.727  -0.668   1.143  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.512  -0.294  -1.796  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.863  -1.013  -2.211  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.998  -1.927  -1.403  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.264  -2.539   0.964  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.399  -2.240   2.540  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.251  -1.339   1.755  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.416   0.068   1.424  1.00  0.00           H  
HETATM   39  HA  UNL     1       0.155   0.505  -0.998  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.373   2.728   1.024  1.00  0.00           H  
HETATM   41  H   UNL     1       0.880   2.787  -0.240  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.864   2.512  -1.981  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.116   2.452  -0.718  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.479   4.731   0.022  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.227   4.791  -1.241  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.970   4.516  -2.983  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.222   4.456  -1.719  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.291   5.950  -1.979  1.00  0.00           H  
HETATM   49  H   UNL     1       4.435  -4.233  -0.338  1.00  0.00           H  
HETATM   50  H   UNL     1       3.994  -3.040  -1.585  1.00  0.00           H  
HETATM   51  HA  UNL     1       3.194  -0.675   1.942  1.00  0.00           H  
HETATM   52  H   UNL     1       3.499  -2.271   0.780  1.00  0.00           H  
HETATM   53  H   UNL     1       5.251  -2.309   1.101  1.00  0.00           H  
HETATM   54  H   UNL     1       4.926   1.235   0.313  1.00  0.00           H  
HETATM   55  H   UNL     1       5.559   0.018   1.447  1.00  0.00           H  
HETATM   56  H   UNL     1       4.324   1.107   3.467  1.00  0.00           H  
HETATM   57  H   UNL     1       3.765  -0.602  -0.941  1.00  0.00           H  
HETATM   58  H   UNL     1       6.765  -3.596  -0.446  1.00  0.00           H  
HETATM   59  H   UNL     1       6.212  -3.862  -2.115  1.00  0.00           H  
HETATM   60  H   UNL     1       2.546   1.340  -0.079  1.00  0.00           H  
HETATM   61  H   UNL     1       7.284  -1.751  -2.159  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    4    4    1   31                                       
CONECT    4    5    3    3   32                                       
CONECT    5    4   10   10    6                                       
CONECT    6    5    7    7   33                                       
CONECT    7    6    6    8   34                                       
CONECT    8    9    9    7   35                                       
CONECT    9   10    8    8   36                                       
CONECT   10    5    5    9   37                                       
CONECT   11    1   12   38                                            
CONECT   12   13   11   15   39                                       
CONECT   13   27   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   40   41                                       
CONECT   16   15   17   42   43                                       
CONECT   17   16   18   44   45                                       
CONECT   18   17   46   47   48                                       
CONECT   19   26   21   49   50                                       
CONECT   20   23   24   27   51                                       
CONECT   21   19   25   52   53                                       
CONECT   22   28   30   30   25                                       
CONECT   23   25   20   54   55                                       
CONECT   24   29   29   20   56                                       
CONECT   25   22   23   21   57                                       
CONECT   26   28   19   58   59                                       
CONECT   27   20   13   60                                            
CONECT   28   22   26   61                                            
CONECT   29   24   24                                                 
CONECT   30   22   22                                                 
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
