COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.973  -1.553   0.924  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.986  -0.628  -0.111  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.800  -0.039  -0.531  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.193  -0.286  -0.733  1.00  0.00           N  
HETATM    5  C   UNL     1       0.856  -1.600   0.932  1.00  0.00           C  
HETATM    6  C   UNL     1       2.013  -0.869   0.630  1.00  0.00           C  
HETATM    7  C   UNL     1       0.978   1.085   1.309  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.574   2.531   2.096  1.00  0.00           C  
HETATM    9  C   UNL     1       0.744   2.441   1.607  1.00  0.00           C  
HETATM   10  C   UNL     1       1.668   3.522   1.443  1.00  0.00           C  
HETATM   11  C   UNL     1       3.276  -2.974  -0.040  1.00  0.00           C  
HETATM   12  C   UNL     1       4.805  -3.224  -0.022  1.00  0.00           C  
HETATM   13  C   UNL     1       5.333  -1.978  -0.782  1.00  0.00           C  
HETATM   14  C   UNL     1       4.365  -0.863  -0.334  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.818   0.965  -1.655  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.903   0.584  -2.663  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.194   0.300  -1.944  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.248   0.604  -2.462  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.609  -0.374   0.079  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.595  -1.299   1.115  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.781  -1.887   1.536  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.388  -1.640   1.735  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.236  -0.946   1.428  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.171   0.411   1.617  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.103   1.337   2.099  1.00  0.00           N  
HETATM   26  N   UNL     1       2.402   4.380   1.312  1.00  0.00           N  
HETATM   27  N   UNL     1       2.041   0.441   0.826  1.00  0.00           N  
HETATM   28  N   UNL     1       3.127  -1.517   0.127  1.00  0.00           N  
HETATM   29  C   UNL     1       4.057   0.063  -1.512  1.00  0.00           C  
HETATM   30  C   UNL     1       5.309   0.800  -1.912  1.00  0.00           C  
HETATM   31  O   UNL     1       6.357   0.551  -1.365  1.00  0.00           O  
HETATM   32  O   UNL     1       5.259   1.733  -2.876  1.00  0.00           O  
HETATM   33  H   UNL     1      -5.896  -2.007   1.254  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.034  -0.473  -0.288  1.00  0.00           H  
HETATM   35  H   UNL     1       0.826  -2.668   0.771  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.066   3.438   2.416  1.00  0.00           H  
HETATM   37  H   UNL     1       2.851  -3.292  -0.992  1.00  0.00           H  
HETATM   38  H   UNL     1       2.796  -3.501   0.784  1.00  0.00           H  
HETATM   39  H   UNL     1       5.185  -3.248   0.999  1.00  0.00           H  
HETATM   40  H   UNL     1       5.057  -4.142  -0.553  1.00  0.00           H  
HETATM   41  H   UNL     1       6.354  -1.746  -0.480  1.00  0.00           H  
HETATM   42  H   UNL     1       5.274  -2.130  -1.860  1.00  0.00           H  
HETATM   43  H   UNL     1       4.809  -0.292   0.481  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.028   1.956  -1.253  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.848   0.972  -2.151  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.051   1.407  -3.363  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.592  -0.306  -3.211  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.686   0.083  -0.248  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.771  -2.606   2.342  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.360  -2.364   2.380  1.00  0.00           H  
HETATM   51  H   UNL     1       3.698  -0.528  -2.354  1.00  0.00           H  
HETATM   52  H   UNL     1       3.290   0.781  -1.219  1.00  0.00           H  
HETATM   53  H   UNL     1       6.088   2.179  -3.098  1.00  0.00           H  
CONECT    1    2    2   21   33                                       
CONECT    2    4    1    1    3                                       
CONECT    3    2   15   19   19                                       
CONECT    4   17    2   34                                            
CONECT    5   23   23    6   35                                       
CONECT    6    5   28   27   27                                       
CONECT    7   24   27    9    9                                       
CONECT    8   25   25    9   36                                       
CONECT    9    7    7    8   10                                       
CONECT   10    9   26   26   26                                       
CONECT   11   12   28   37   38                                       
CONECT   12   13   11   39   40                                       
CONECT   13   14   12   41   42                                       
CONECT   14   13   29   28   43                                       
CONECT   15   16    3   44   45                                       
CONECT   16   17   15   46   47                                       
CONECT   17   18   18    4   16                                       
CONECT   18   17   17                                                 
CONECT   19    3    3   20   48                                       
CONECT   20   21   21   19   22                                       
CONECT   21    1   20   20   49                                       
CONECT   22   20   23   50                                            
CONECT   23    5    5   22   24                                       
CONECT   24   23    7   25                                            
CONECT   25   24    8    8                                            
CONECT   26   10   10   10                                            
CONECT   27    6    6    7                                            
CONECT   28   14    6   11                                            
CONECT   29   30   14   51   52                                       
CONECT   30   31   31   32   29                                       
CONECT   31   30   30                                                 
CONECT   32   30   53                                                 
CONECT   33    1                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    8                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   32                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
