COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -2.689  -2.678   0.193  1.00  0.00           N  
HETATM    2  N   UNL     1       1.814  -1.093  -0.378  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.470  -1.943  -0.144  1.00  0.00           C  
HETATM    4  C   UNL     1       0.495  -0.832  -0.282  1.00  0.00           C  
HETATM    5  C   UNL     1       2.770   0.008  -0.515  1.00  0.00           C  
HETATM    6  C   UNL     1       3.286   0.461   0.867  1.00  0.00           C  
HETATM    7  C   UNL     1       4.733   0.844   0.644  1.00  0.00           C  
HETATM    8  C   UNL     1       4.062  -0.471  -1.210  1.00  0.00           C  
HETATM    9  C   UNL     1       6.892   1.823   1.011  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.443   1.447   0.677  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.103   3.534  -0.653  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.276  -0.361   0.153  1.00  0.00           N  
HETATM   13  C   UNL     1      -3.560  -0.105   0.468  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.305  -1.016   0.774  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.830  -1.673   0.070  1.00  0.00           C  
HETATM   16  C   UNL     1       6.483   0.530  -0.961  1.00  0.00           C  
HETATM   17  C   UNL     1       7.338   1.287  -0.183  1.00  0.00           C  
HETATM   18  C   UNL     1       5.592   1.601   1.423  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.975   2.287  -0.488  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.666   3.115  -0.975  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.108   2.284   0.185  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.261  -3.925   0.113  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.916  -4.192  -0.098  1.00  0.00           C  
HETATM   24  C   UNL     1       5.180   0.308  -0.550  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.053  -3.204  -0.222  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.020   1.162   0.445  1.00  0.00           N  
HETATM   27  O   UNL     1       0.099   0.317  -0.309  1.00  0.00           O  
HETATM   28  H   UNL     1       2.129  -2.010  -0.357  1.00  0.00           H  
HETATM   29  H   UNL     1       2.324   0.841  -1.058  1.00  0.00           H  
HETATM   30  H   UNL     1       2.717   1.322   1.219  1.00  0.00           H  
HETATM   31  H   UNL     1       3.218  -0.357   1.584  1.00  0.00           H  
HETATM   32  H   UNL     1       4.203  -1.540  -1.053  1.00  0.00           H  
HETATM   33  H   UNL     1       4.023  -0.249  -2.277  1.00  0.00           H  
HETATM   34  H   UNL     1       7.558   2.415   1.620  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.557   2.001   1.609  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.998   0.511   0.736  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.494   4.145  -1.466  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.114   4.109   0.273  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.662   0.371  -0.016  1.00  0.00           H  
HETATM   40  H   UNL     1       6.832   0.112  -1.893  1.00  0.00           H  
HETATM   41  H   UNL     1       8.353   1.460  -0.507  1.00  0.00           H  
HETATM   42  H   UNL     1       5.244   2.020   2.355  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.944   1.698  -1.405  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.002   2.586  -0.282  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.657   2.518  -1.887  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.051   4.004  -1.116  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.123   1.901  -0.081  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.030   2.908   1.076  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.962  -4.740   0.214  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.575  -5.215  -0.162  1.00  0.00           H  
CONECT    1   15   22   22                                            
CONECT    2    4    5   28                                            
CONECT    3    4   15   15   25                                       
CONECT    4   27   27    2    3                                       
CONECT    5    6    2    8   29                                       
CONECT    6    7    5   30   31                                       
CONECT    7    6   18   18   24                                       
CONECT    8    5   24   32   33                                       
CONECT    9   18   17   17   34                                       
CONECT   10   19   26   35   36                                       
CONECT   11   19   20   37   38                                       
CONECT   12   13   15   39                                            
CONECT   13   26   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   12    3    3    1                                       
CONECT   16   24   24   17   40                                       
CONECT   17    9    9   16   41                                       
CONECT   18    7    7    9   42                                       
CONECT   19   10   11   43   44                                       
CONECT   20   11   21   45   46                                       
CONECT   21   26   20   47   48                                       
CONECT   22    1    1   23   49                                       
CONECT   23   25   25   22   50                                       
CONECT   24    7    8   16   16                                       
CONECT   25    3   23   23                                            
CONECT   26   10   21   13                                            
CONECT   27    4    4                                                 
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
