COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.734  -0.282  -0.216  1.00  0.00           N  
HETATM    2  N   UNL     1       3.027   2.487  -0.683  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.114  -0.445  -0.043  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.204   0.982  -0.410  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.557   3.238  -0.734  1.00  0.00           C  
HETATM    6  C   UNL     1       0.808   3.438  -0.788  1.00  0.00           C  
HETATM    7  C   UNL     1       1.650   2.333  -0.636  1.00  0.00           C  
HETATM    8  C   UNL     1       5.046   1.247  -1.155  1.00  0.00           C  
HETATM    9  C   UNL     1       6.169  -1.983   0.533  1.00  0.00           C  
HETATM   10  C   UNL     1       4.338  -0.621   0.779  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.762  -1.527  -0.623  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.848  -0.767   0.298  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.043  -0.308  -0.500  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.168   2.300   2.188  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.901   1.215   1.617  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.197   0.313   0.882  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.831   0.473   0.711  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.026   2.013  -0.546  1.00  0.00           N  
HETATM   19  C   UNL     1       3.861   1.394  -0.433  1.00  0.00           C  
HETATM   20  C   UNL     1       5.872   0.187  -0.924  1.00  0.00           C  
HETATM   21  C   UNL     1       5.532  -0.763   0.045  1.00  0.00           C  
HETATM   22  C   UNL     1       7.477  -2.555   0.051  1.00  0.00           C  
HETATM   23  N   UNL     1       5.406  -2.488   1.459  1.00  0.00           N  
HETATM   24  N   UNL     1       4.274  -1.685   1.640  1.00  0.00           N  
HETATM   25  C   UNL     1       3.506   0.466   0.530  1.00  0.00           C  
HETATM   26  N   UNL     1       1.112   1.133  -0.451  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.128  -1.689  -0.452  1.00  0.00           C  
HETATM   28  O   UNL     1      -4.764  -2.749  -1.020  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.961  -3.656  -1.779  1.00  0.00           C  
HETATM   30  O   UNL     1      -6.190  -0.926   0.466  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.148  -1.055  -0.194  1.00  0.00           H  
HETATM   32  H   UNL     1       3.412   3.353  -0.890  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.236   4.070  -0.847  1.00  0.00           H  
HETATM   34  H   UNL     1       1.216   4.426  -0.940  1.00  0.00           H  
HETATM   35  H   UNL     1       5.309   1.976  -1.907  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.202  -2.243  -1.207  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.873   0.769  -0.498  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.822  -0.709  -1.489  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.084  -0.511  -0.249  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.403   1.908   2.859  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.693   2.876   1.393  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.847   2.943   2.747  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.325   1.312   1.165  1.00  0.00           H  
HETATM   44  H   UNL     1       6.787   0.081  -1.488  1.00  0.00           H  
HETATM   45  H   UNL     1       8.294  -2.147   0.646  1.00  0.00           H  
HETATM   46  H   UNL     1       7.459  -3.640   0.154  1.00  0.00           H  
HETATM   47  H   UNL     1       7.625  -2.293  -0.997  1.00  0.00           H  
HETATM   48  H   UNL     1       3.560  -1.855   2.274  1.00  0.00           H  
HETATM   49  H   UNL     1       2.588   0.585   1.086  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.489  -3.121  -2.603  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.192  -4.085  -1.137  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.590  -4.453  -2.175  1.00  0.00           H  
CONECT    1    3    4   31                                            
CONECT    2    7   19   32                                            
CONECT    3    1   11   11   17                                       
CONECT    4    1   18   18   26                                       
CONECT    5    6    6   18   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    2    6   26   26                                       
CONECT    8   19   19   20   35                                       
CONECT    9   21   22   23   23                                       
CONECT   10   21   24   25   25                                       
CONECT   11    3    3   27   36                                       
CONECT   12   16   27   27   30                                       
CONECT   13   30   37   38   39                                       
CONECT   14   15   40   41   42                                       
CONECT   15   14   16                                                 
CONECT   16   12   15   17   17                                       
CONECT   17    3   16   16   43                                       
CONECT   18    4    4    5                                            
CONECT   19    2    8    8   25                                       
CONECT   20    8   21   21   44                                       
CONECT   21    9   10   20   20                                       
CONECT   22    9   45   46   47                                       
CONECT   23    9    9   24                                            
CONECT   24   10   23   48                                            
CONECT   25   10   10   19   49                                       
CONECT   26    4    7    7                                            
CONECT   27   11   12   12   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   50   51   52                                       
CONECT   30   12   13                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   29                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
