COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.426  -1.268   0.004  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.394  -3.387  -0.006  1.00  0.00           N  
HETATM    3  O   UNL     1       1.751   2.556   0.027  1.00  0.00           O  
HETATM    4  C   UNL     1       4.763  -1.116   0.005  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.914  -3.387  -0.005  1.00  0.00           N  
HETATM    6  O   UNL     1       2.277  -0.837   0.008  1.00  0.00           O  
HETATM    7  C   UNL     1       5.989   0.962   0.016  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.079   0.745   0.015  1.00  0.00           N  
HETATM    9  O   UNL     1       7.136  -1.118   0.004  1.00  0.00           O  
HETATM   10  C   UNL     1      -4.485  -2.649  -0.003  1.00  0.00           C  
HETATM   11  N   UNL     1      -4.083   3.409  -0.010  1.00  0.00           N  
HETATM   12  O   UNL     1       4.819   3.029   0.028  1.00  0.00           O  
HETATM   13  C   UNL     1       0.024  -2.406   0.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.040  -1.451   0.004  1.00  0.00           C  
HETATM   15  C   UNL     1       3.583   0.983   0.018  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.590  -1.184   0.006  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.182  -0.641   0.008  1.00  0.00           C  
HETATM   18  C   UNL     1       3.563  -0.422   0.010  1.00  0.00           C  
HETATM   19  C   UNL     1       5.968  -0.427   0.008  1.00  0.00           C  
HETATM   20  C   UNL     1       4.802   1.673   0.020  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.181  -2.846  -0.003  1.00  0.00           C  
HETATM   22  C   UNL     1       2.177   1.413   0.020  1.00  0.00           C  
HETATM   23  C   UNL     1       1.419   0.210   0.014  1.00  0.00           C  
HETATM   24  C   UNL     1       0.060   0.125   0.013  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.724   1.315   1.206  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.643   1.322  -1.213  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.519   2.832   1.218  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.438   2.839  -1.201  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.621  -4.823  -0.013  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.540   3.221  -0.060  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.333  -0.683   0.002  1.00  0.00           H  
HETATM   32  H   UNL     1       4.761  -2.196   0.004  1.00  0.00           H  
HETATM   33  H   UNL     1       6.933   1.487   0.018  1.00  0.00           H  
HETATM   34  H   UNL     1       7.475  -1.313  -0.881  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.450  -3.135  -0.006  1.00  0.00           H  
HETATM   36  H   UNL     1       4.823   3.428  -0.853  1.00  0.00           H  
HETATM   37  H   UNL     1       1.092  -2.566   0.000  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.537   1.025   0.018  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.791   1.092   1.184  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.280   0.881   2.103  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.141   0.894  -2.080  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.709   1.100  -1.263  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.453   3.054   1.268  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.022   3.260   2.085  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.882   3.273  -2.098  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.372   3.062  -1.179  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.548  -5.184   1.013  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.420  -5.354  -0.530  1.00  0.00           H  
HETATM   49  H   UNL     1       0.324  -4.997  -0.527  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.998   3.710   0.800  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.931   3.657  -0.978  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.769   2.155  -0.036  1.00  0.00           H  
CONECT    1   10   10   17   31                                       
CONECT    2   10   21   21                                            
CONECT    3   22   22                                                 
CONECT    4   18   18   19   32                                       
CONECT    5   13   21   29                                            
CONECT    6   18   23                                                 
CONECT    7   19   19   20   33                                       
CONECT    8   17   25   26                                            
CONECT    9   19   34                                                 
CONECT   10    1    1    2   35                                       
CONECT   11   27   28   30                                            
CONECT   12   20   36                                                 
CONECT   13    5   16   16   37                                       
CONECT   14   16   17   17   21                                       
CONECT   15   18   20   20   22                                       
CONECT   16   13   13   14   24                                       
CONECT   17    1    8   14   14                                       
CONECT   18    4    4    6   15                                       
CONECT   19    4    7    7    9                                       
CONECT   20    7   12   15   15                                       
CONECT   21    2    2    5   14                                       
CONECT   22    3    3   15   23                                       
CONECT   23    6   22   24   24                                       
CONECT   24   16   23   23   38                                       
CONECT   25    8   27   39   40                                       
CONECT   26    8   28   41   42                                       
CONECT   27   11   25   43   44                                       
CONECT   28   11   26   45   46                                       
CONECT   29    5   47   48   49                                       
CONECT   30   11   50   51   52                                       
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    7                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   27                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   30                                                      
CONECT   51   30                                                      
CONECT   52   30                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
