COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.574   0.049   0.154  1.00  0.00           C  
HETATM    2  C   UNL     1       2.665  -0.918   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1       2.091  -2.156   0.409  1.00  0.00           C  
HETATM    4  C   UNL     1       0.711  -2.202   0.635  1.00  0.00           C  
HETATM    5  C   UNL     1       2.921  -3.363   0.549  1.00  0.00           C  
HETATM    6  N   UNL     1       4.021  -0.815  -0.192  1.00  0.00           N  
HETATM    7  C   UNL     1       4.604   0.442  -0.377  1.00  0.00           C  
HETATM    8  C   UNL     1       3.849   1.493  -0.879  1.00  0.00           C  
HETATM    9  C   UNL     1       6.514   1.886  -0.237  1.00  0.00           C  
HETATM   10  C   UNL     1       5.940   0.643  -0.054  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.607   1.064   0.051  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.388   2.154   0.430  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.373   0.838   0.098  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.219  -0.129  -0.299  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.215  -1.565  -0.653  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.329  -0.698   0.115  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.664   4.402   1.155  1.00  0.00           C  
HETATM   18  N   UNL     1       0.001  -1.097   0.499  1.00  0.00           N  
HETATM   19  N   UNL     1       1.876   0.144  -0.071  1.00  0.00           N  
HETATM   20  O   UNL     1       4.133  -3.276   0.500  1.00  0.00           O  
HETATM   21  N   UNL     1       2.338  -4.564   0.731  1.00  0.00           N  
HETATM   22  C   UNL     1       4.428   2.734  -1.060  1.00  0.00           C  
HETATM   23  C   UNL     1       5.760   2.929  -0.742  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.212   1.176   0.019  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.766   2.034   0.451  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.600  -0.244  -0.269  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.635  -1.395  -0.979  1.00  0.00           N  
HETATM   28  C   UNL     1      -5.878   0.763   0.122  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.268  -2.690  -1.264  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.799   3.329   0.778  1.00  0.00           O  
HETATM   31  H   UNL     1       0.233  -3.129   0.916  1.00  0.00           H  
HETATM   32  H   UNL     1       4.569  -1.615  -0.229  1.00  0.00           H  
HETATM   33  H   UNL     1       2.809   1.341  -1.128  1.00  0.00           H  
HETATM   34  H   UNL     1       7.552   2.043   0.014  1.00  0.00           H  
HETATM   35  H   UNL     1       6.530  -0.171   0.341  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.615  -0.974  -0.597  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.692  -1.967  -1.521  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.119  -2.262   0.179  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.406  -0.748  -0.044  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.076  -1.166   1.066  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.328   4.642   0.325  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.256   4.105   2.020  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.067   5.279   1.407  1.00  0.00           H  
HETATM   44  H   UNL     1       1.371  -4.633   0.770  1.00  0.00           H  
HETATM   45  H   UNL     1       2.885  -5.360   0.823  1.00  0.00           H  
HETATM   46  H   UNL     1       3.841   3.552  -1.451  1.00  0.00           H  
HETATM   47  H   UNL     1       6.211   3.900  -0.885  1.00  0.00           H  
HETATM   48  H   UNL     1       0.203   2.045  -0.098  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.374   2.879   0.741  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.250   1.252   1.023  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.280   1.270  -0.755  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.306  -2.530  -1.554  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.735  -3.184  -2.076  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.232  -3.316  -0.372  1.00  0.00           H  
CONECT    1   24   18   18   19                                       
CONECT    2   19   19    3    6                                       
CONECT    3    4    4    2    5                                       
CONECT    4   18    3    3   31                                       
CONECT    5    3   21   20   20                                       
CONECT    6    2    7   32                                            
CONECT    7    8    6   10   10                                       
CONECT    8   22   22    7   33                                       
CONECT    9   23   23   10   34                                       
CONECT   10    7    7    9   35                                       
CONECT   11   12   12   14   24                                       
CONECT   12   25   30   11   11                                       
CONECT   13   28   25   25   26                                       
CONECT   14   26   26   11   36                                       
CONECT   15   27   26   37   38                                       
CONECT   16   28   27   39   40                                       
CONECT   17   30   41   42   43                                       
CONECT   18    1    1    4                                            
CONECT   19    1    2    2                                            
CONECT   20    5    5                                                 
CONECT   21    5   44   45                                            
CONECT   22    8    8   23   46                                       
CONECT   23   22    9    9   47                                       
CONECT   24   11    1   48                                            
CONECT   25   13   13   12   49                                       
CONECT   26   13   15   14   14                                       
CONECT   27   16   29   15                                            
CONECT   28   16   13   50   51                                       
CONECT   29   27   52   53   54                                       
CONECT   30   17   12                                                 
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
