COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.512   1.541   1.886  1.00  0.00           C  
HETATM    2  C   UNL     1       3.705   0.178   2.003  1.00  0.00           C  
HETATM    3  C   UNL     1       3.138  -0.660   1.041  1.00  0.00           C  
HETATM    4  N   UNL     1      -4.176   0.263   1.848  1.00  0.00           N  
HETATM    5  C   UNL     1       2.273   1.191  -0.026  1.00  0.00           C  
HETATM    6  C   UNL     1       2.351   2.643  -1.880  1.00  0.00           C  
HETATM    7  C   UNL     1       1.625   4.005  -1.894  1.00  0.00           C  
HETATM    8  C   UNL     1       0.157   3.621  -1.567  1.00  0.00           C  
HETATM    9  C   UNL     1       0.354   2.455  -0.567  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.857   1.559  -0.560  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.731   0.531  -0.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.848   1.547   0.361  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.996   0.091   0.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.302  -0.130   2.414  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.799  -0.700  -1.704  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.998  -0.502  -0.223  1.00  0.00           C  
HETATM   17  N   UNL     1      -6.121  -0.891   0.351  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.295  -0.719   1.650  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.203   0.062  -1.201  1.00  0.00           N  
HETATM   20  O   UNL     1      -1.166   0.624  -1.469  1.00  0.00           O  
HETATM   21  N   UNL     1       1.535   1.721  -1.071  1.00  0.00           N  
HETATM   22  N   UNL     1       2.799   2.010   0.872  1.00  0.00           N  
HETATM   23  C   UNL     1       4.100   2.484   2.904  1.00  0.00           C  
HETATM   24  N   UNL     1       2.435  -0.121   0.050  1.00  0.00           N  
HETATM   25  N   UNL     1       3.306  -2.034   1.117  1.00  0.00           N  
HETATM   26  C   UNL     1       2.648  -2.865   0.222  1.00  0.00           C  
HETATM   27  S   UNL     1       1.715  -2.329  -1.107  1.00  0.00           S  
HETATM   28  C   UNL     1       1.362  -3.999  -1.546  1.00  0.00           C  
HETATM   29  C   UNL     1       1.970  -4.796  -0.666  1.00  0.00           C  
HETATM   30  N   UNL     1       2.656  -4.161   0.267  1.00  0.00           N  
HETATM   31  H   UNL     1       4.282  -0.230   2.819  1.00  0.00           H  
HETATM   32  H   UNL     1       2.443   2.262  -2.897  1.00  0.00           H  
HETATM   33  H   UNL     1       3.340   2.752  -1.434  1.00  0.00           H  
HETATM   34  H   UNL     1       2.030   4.666  -1.128  1.00  0.00           H  
HETATM   35  H   UNL     1       1.692   4.467  -2.879  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.368   4.453  -1.099  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.367   3.284  -2.461  1.00  0.00           H  
HETATM   38  H   UNL     1       0.545   2.842   0.434  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.945   2.165   1.242  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.449   0.009   3.475  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.340  -1.672  -1.882  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.764  -0.655  -2.209  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.150   0.086  -2.091  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.215  -1.039   2.117  1.00  0.00           H  
HETATM   45  H   UNL     1       5.098   2.784   2.587  1.00  0.00           H  
HETATM   46  H   UNL     1       3.465   3.366   2.992  1.00  0.00           H  
HETATM   47  H   UNL     1       4.161   1.983   3.870  1.00  0.00           H  
HETATM   48  H   UNL     1       3.884  -2.415   1.797  1.00  0.00           H  
HETATM   49  H   UNL     1       0.759  -4.320  -2.382  1.00  0.00           H  
HETATM   50  H   UNL     1       1.910  -5.873  -0.715  1.00  0.00           H  
CONECT    1   23   22   22    2                                       
CONECT    2    1    3    3   31                                       
CONECT    3    2    2   24   25                                       
CONECT    4   14   14   13                                            
CONECT    5   22   21   24   24                                       
CONECT    6    7   21   32   33                                       
CONECT    7    6    8   34   35                                       
CONECT    8    7    9   36   37                                       
CONECT    9    8   21   10   38                                       
CONECT   10   12   12    9   20                                       
CONECT   11   12   13   19   19                                       
CONECT   12   11   10   10   39                                       
CONECT   13    4   11   16   16                                       
CONECT   14    4    4   18   40                                       
CONECT   15   16   41   42   43                                       
CONECT   16   13   13   17   15                                       
CONECT   17   18   18   16                                            
CONECT   18   14   17   17   44                                       
CONECT   19   11   11   20                                            
CONECT   20   10   19                                                 
CONECT   21    6    5    9                                            
CONECT   22    1    1    5                                            
CONECT   23    1   45   46   47                                       
CONECT   24    5    5    3                                            
CONECT   25    3   26   48                                            
CONECT   26   25   27   30   30                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   29   49                                       
CONECT   29   30   28   28   50                                       
CONECT   30   26   26   29                                            
CONECT   31    2                                                      
CONECT   32    6                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   23                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   28                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
