COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.045  -0.380   0.230  1.00  0.00           N  
HETATM    2  C   UNL     1       6.965  -0.888  -1.196  1.00  0.00           C  
HETATM    3  O   UNL     1       5.668   1.736   0.350  1.00  0.00           O  
HETATM    4  C   UNL     1       4.758   0.932   0.287  1.00  0.00           C  
HETATM    5  N   UNL     1       3.488   1.379   0.275  1.00  0.00           N  
HETATM    6  C   UNL     1       3.218   2.818   0.338  1.00  0.00           C  
HETATM    7  C   UNL     1       3.163   3.389  -1.080  1.00  0.00           C  
HETATM    8  C   UNL     1       2.435   0.480   0.202  1.00  0.00           C  
HETATM    9  N   UNL     1       1.111   0.618   0.173  1.00  0.00           N  
HETATM   10  C   UNL     1       0.536  -0.570   0.100  1.00  0.00           C  
HETATM   11  N   UNL     1       1.502  -1.536   0.078  1.00  0.00           N  
HETATM   12  C   UNL     1       1.291  -2.983   0.001  1.00  0.00           C  
HETATM   13  C   UNL     1       2.719  -0.882   0.143  1.00  0.00           C  
HETATM   14  C   UNL     1       4.064  -1.304   0.159  1.00  0.00           C  
HETATM   15  O   UNL     1       4.338  -2.490   0.108  1.00  0.00           O  
HETATM   16  C   UNL     1       6.444  -0.812   0.240  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.907  -0.813   0.049  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.767   0.225   0.077  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.216  -0.019   0.026  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.705  -1.327  -0.051  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.064  -1.553  -0.098  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.950  -0.485  -0.070  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.289  -0.714  -0.117  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.711  -2.077  -0.194  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.471   0.822   0.007  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.110   1.057   0.060  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.343   1.865   0.034  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.782   3.177   0.113  1.00  0.00           C  
HETATM   29  H   UNL     1       6.367  -1.602  -1.763  1.00  0.00           H  
HETATM   30  H   UNL     1       6.892   0.096  -1.661  1.00  0.00           H  
HETATM   31  H   UNL     1       8.006  -1.210  -1.189  1.00  0.00           H  
HETATM   32  H   UNL     1       2.263   2.987   0.836  1.00  0.00           H  
HETATM   33  H   UNL     1       4.012   3.312   0.898  1.00  0.00           H  
HETATM   34  H   UNL     1       2.963   4.460  -1.033  1.00  0.00           H  
HETATM   35  H   UNL     1       4.118   3.220  -1.577  1.00  0.00           H  
HETATM   36  H   UNL     1       2.369   2.895  -1.640  1.00  0.00           H  
HETATM   37  H   UNL     1       1.266  -3.291  -1.045  1.00  0.00           H  
HETATM   38  H   UNL     1       2.104  -3.497   0.512  1.00  0.00           H  
HETATM   39  H   UNL     1       0.344  -3.238   0.477  1.00  0.00           H  
HETATM   40  H   UNL     1       7.042  -0.098   0.806  1.00  0.00           H  
HETATM   41  H   UNL     1       6.517  -1.796   0.705  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.283  -1.824  -0.010  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.391   1.236   0.136  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.018  -2.160  -0.074  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.440  -2.564  -0.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.305  -2.533  -1.097  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.352  -2.619   0.680  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.800  -2.118  -0.225  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.738   2.068   0.124  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.143   3.352  -0.753  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.584   3.915   0.128  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.191   3.265   1.025  1.00  0.00           H  
CONECT    1    4   16   14                                            
CONECT    2   16   29   30   31                                       
CONECT    3    4    4                                                 
CONECT    4    3    3    5    1                                       
CONECT    5    6    4    8                                            
CONECT    6    7    5   32   33                                       
CONECT    7    6   34   35   36                                       
CONECT    8    5    9   13   13                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   17                                       
CONECT   11   13   10   12                                            
CONECT   12   11   37   38   39                                       
CONECT   13    8    8   14   11                                       
CONECT   14    1   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16    2    1   40   41                                       
CONECT   17   10   18   18   42                                       
CONECT   18   17   17   19   43                                       
CONECT   19   18   26   26   20                                       
CONECT   20   19   21   21   44                                       
CONECT   21   20   20   22   45                                       
CONECT   22   25   25   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   46   47   48                                       
CONECT   25   26   27   22   22                                       
CONECT   26   19   19   25   49                                       
CONECT   27   28   25                                                 
CONECT   28   27   50   51   52                                       
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
