COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.351   3.035  -0.679  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.692   2.139   0.377  1.00  0.00           C  
HETATM    3  C   UNL     1       0.639   1.651  -0.136  1.00  0.00           C  
HETATM    4  C   UNL     1       2.674   1.085  -0.317  1.00  0.00           C  
HETATM    5  C   UNL     1       4.103   0.813  -0.021  1.00  0.00           C  
HETATM    6  C   UNL     1       4.956   0.306  -1.005  1.00  0.00           C  
HETATM    7  C   UNL     1       6.278   0.067  -0.687  1.00  0.00           C  
HETATM    8  C   UNL     1       5.968   0.797   1.479  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.805   3.210  -0.328  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.429  -2.720   0.116  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.567   0.988   0.645  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.206  -2.940   1.008  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.567  -5.153  -0.487  1.00  0.00           O  
HETATM   14  C   UNL     1       4.634   1.064   1.247  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.986  -2.633  -1.346  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.400  -3.891   0.285  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.715  -5.173  -0.109  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.126  -1.418   0.516  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.169  -0.265   0.350  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.890   1.239   1.245  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.494   2.418   0.521  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.867   3.915  -0.192  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.749   2.869   0.584  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.672   4.160  -0.778  1.00  0.00           N  
HETATM   25  N   UNL     1       1.755   1.574   0.545  1.00  0.00           N  
HETATM   26  N   UNL     1       6.738   0.313   0.524  1.00  0.00           N  
HETATM   27  N   UNL     1       2.068   0.893  -1.459  1.00  0.00           N  
HETATM   28  O   UNL     1      -2.379  -6.338  -0.041  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.042  -0.466  -0.050  1.00  0.00           O  
HETATM   30  O   UNL     1       0.901   1.211  -1.371  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.859   4.008  -0.692  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.266   2.570  -1.661  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.542   2.707   1.295  1.00  0.00           H  
HETATM   34  H   UNL     1       4.586   0.102  -1.999  1.00  0.00           H  
HETATM   35  H   UNL     1       6.944  -0.326  -1.441  1.00  0.00           H  
HETATM   36  H   UNL     1       6.386   0.983   2.458  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.522  -3.002   2.049  1.00  0.00           H  
HETATM   38  H   UNL     1       0.290  -3.867   0.723  1.00  0.00           H  
HETATM   39  H   UNL     1       0.486  -2.106   0.888  1.00  0.00           H  
HETATM   40  H   UNL     1       4.009   1.461   2.033  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.294  -1.799  -1.466  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.490  -3.560  -1.631  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.857  -2.476  -1.981  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.717  -3.953   1.326  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.272  -3.734  -0.351  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.997  -1.262  -0.119  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.442  -1.480   1.558  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.525   0.362   1.122  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.778   1.472   2.305  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.770   4.490  -0.341  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.897  -7.134  -0.305  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.471   4.876  -1.400  1.00  0.00           H  
CONECT    1    2    9   31   32                                       
CONECT    2   11    1    3   33                                       
CONECT    3    2   30   25   25                                       
CONECT    4   25   27   27    5                                       
CONECT    5    4    6    6   14                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6   26   26   35                                       
CONECT    8   14   14   26   36                                       
CONECT    9    1   21   21   24                                       
CONECT   10   12   16   18   15                                       
CONECT   11   19    2   20                                            
CONECT   12   10   37   38   39                                       
CONECT   13   17   17                                                 
CONECT   14    5    8    8   40                                       
CONECT   15   10   41   42   43                                       
CONECT   16   17   10   44   45                                       
CONECT   17   13   13   28   16                                       
CONECT   18   10   19   46   47                                       
CONECT   19   18   29   29   11                                       
CONECT   20   11   21   48   49                                       
CONECT   21   20    9    9   23                                       
CONECT   22   23   23   24   50                                       
CONECT   23   21   22   22                                            
CONECT   24    9   22   52                                            
CONECT   25    3    3    4                                            
CONECT   26    7    7    8                                            
CONECT   27   30    4    4                                            
CONECT   28   17   51                                                 
CONECT   29   19   19                                                 
CONECT   30    3   27                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   28                                                      
CONECT   52   24                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
