COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.242   0.183   0.173  1.00  0.00           C  
HETATM    2  C   UNL     1       2.152   1.499  -0.137  1.00  0.00           C  
HETATM    3  C   UNL     1       0.783   1.572  -0.280  1.00  0.00           C  
HETATM    4  C   UNL     1       0.015   0.416  -0.258  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.838   2.336  -1.880  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.892   2.786   0.714  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.211   2.727   1.123  1.00  0.00           C  
HETATM    8  C   UNL     1       7.027   2.645   0.252  1.00  0.00           C  
HETATM    9  C   UNL     1       6.435   1.235   0.307  1.00  0.00           C  
HETATM   10  N   UNL     1       4.980   1.310   0.155  1.00  0.00           N  
HETATM   11  O   UNL     1       4.783  -0.897   0.315  1.00  0.00           O  
HETATM   12  C   UNL     1       2.775   0.259   0.026  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.332   0.495  -0.399  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.904   1.803  -0.448  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.342   1.739  -0.002  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.979   1.618   0.822  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.428   0.568   0.111  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.112   0.632  -0.308  1.00  0.00           C  
HETATM   19  C   UNL     1       0.630  -0.830  -0.089  1.00  0.00           C  
HETATM   20  C   UNL     1       2.009  -0.908   0.050  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.191  -2.067  -0.065  1.00  0.00           C  
HETATM   22  C   UNL     1       0.259  -3.347   0.086  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.838  -4.136   0.047  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.848  -5.596   0.169  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.873  -3.388  -0.115  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.528  -2.151  -0.180  1.00  0.00           N  
HETATM   27  H   UNL     1       2.744   2.402  -0.156  1.00  0.00           H  
HETATM   28  H   UNL     1       0.306   2.533  -0.410  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.798   2.382  -2.203  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.394   1.671  -2.541  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.275   3.334  -1.917  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.291   3.653   0.949  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.641   3.548   1.678  1.00  0.00           H  
HETATM   34  H   UNL     1       6.785   3.103  -0.707  1.00  0.00           H  
HETATM   35  H   UNL     1       6.608   3.247   1.058  1.00  0.00           H  
HETATM   36  H   UNL     1       8.110   2.589   0.365  1.00  0.00           H  
HETATM   37  H   UNL     1       6.854   0.633  -0.499  1.00  0.00           H  
HETATM   38  H   UNL     1       6.677   0.777   1.266  1.00  0.00           H  
HETATM   39  H   UNL     1       4.548   2.171   0.042  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.348   2.467   0.213  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.009   1.572   1.141  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.028  -0.298  -0.124  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.683  -0.186  -0.867  1.00  0.00           H  
HETATM   44  H   UNL     1       2.487  -1.867   0.180  1.00  0.00           H  
HETATM   45  H   UNL     1       1.284  -3.664   0.210  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.948  -5.872   1.219  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.687  -6.002  -0.395  1.00  0.00           H  
HETATM   48  H   UNL     1       0.085  -5.999  -0.226  1.00  0.00           H  
CONECT    1   12   10   11   11                                       
CONECT    2   12   12    3   27                                       
CONECT    3    4    4    2   28                                       
CONECT    4   19   13    3    3                                       
CONECT    5   14   29   30   31                                       
CONECT    6   15    7    7   32                                       
CONECT    7    6    6   16   33                                       
CONECT    8    9   34   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    1    9   39                                            
CONECT   11    1    1                                                 
CONECT   12   20    1    2    2                                       
CONECT   13    4   14                                                 
CONECT   14   13    5   15   40                                       
CONECT   15   14   18   18    6                                       
CONECT   16   17   17    7   41                                       
CONECT   17   18   16   16   42                                       
CONECT   18   15   15   17   43                                       
CONECT   19   21   20   20    4                                       
CONECT   20   19   19   12   44                                       
CONECT   21   26   22   22   19                                       
CONECT   22   23   21   21   45                                       
CONECT   23   24   25   22                                            
CONECT   24   23   46   47   48                                       
CONECT   25   23   26   26                                            
CONECT   26   25   25   21                                            
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   14                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
