COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.592  -0.701  -1.801  1.00  0.00           O  
HETATM    2  C   UNL     1       4.972  -1.980  -1.648  1.00  0.00           C  
HETATM    3  C   UNL     1       4.617  -2.202  -0.176  1.00  0.00           C  
HETATM    4  N   UNL     1       3.602  -1.228   0.233  1.00  0.00           N  
HETATM    5  C   UNL     1       2.256  -1.533   0.102  1.00  0.00           C  
HETATM    6  C   UNL     1       1.854  -2.804  -0.315  1.00  0.00           C  
HETATM    7  C   UNL     1       0.503  -3.063  -0.431  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.368  -2.105  -0.146  1.00  0.00           N  
HETATM    9  C   UNL     1       0.041  -0.908   0.248  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.900   0.066   0.537  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.261  -0.252   0.525  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.701  -1.480   1.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.041  -1.794   0.993  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.983  -0.888   0.502  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.472  -1.045   0.407  1.00  0.00           C  
HETATM   16  N   UNL     1      -7.169   0.106  -0.163  1.00  0.00           N  
HETATM   17  S   UNL     1      -5.968   1.213  -0.506  1.00  0.00           S  
HETATM   18  O   UNL     1      -6.141   2.314   0.376  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.893   1.332  -1.920  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.529   0.330   0.029  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.193   0.658   0.040  1.00  0.00           C  
HETATM   22  N   UNL     1       1.328  -0.621   0.377  1.00  0.00           N  
HETATM   23  C   UNL     1       3.990   0.007   0.755  1.00  0.00           C  
HETATM   24  C   UNL     1       4.182   0.157   2.115  1.00  0.00           C  
HETATM   25  C   UNL     1       4.568   1.383   2.639  1.00  0.00           C  
HETATM   26  C   UNL     1       4.766   2.468   1.816  1.00  0.00           C  
HETATM   27  C   UNL     1       4.580   2.343   0.441  1.00  0.00           C  
HETATM   28  N   UNL     1       4.694   3.213  -0.613  1.00  0.00           N  
HETATM   29  N   UNL     1       4.377   2.519  -1.786  1.00  0.00           N  
HETATM   30  C   UNL     1       4.080   1.284  -1.500  1.00  0.00           C  
HETATM   31  C   UNL     1       4.194   1.104  -0.101  1.00  0.00           C  
HETATM   32  H   UNL     1       5.845  -0.493  -2.711  1.00  0.00           H  
HETATM   33  H   UNL     1       4.065  -2.018  -2.251  1.00  0.00           H  
HETATM   34  H   UNL     1       5.660  -2.759  -1.977  1.00  0.00           H  
HETATM   35  H   UNL     1       4.226  -3.211  -0.045  1.00  0.00           H  
HETATM   36  H   UNL     1       5.509  -2.076   0.436  1.00  0.00           H  
HETATM   37  H   UNL     1       2.584  -3.567  -0.542  1.00  0.00           H  
HETATM   38  H   UNL     1       0.159  -4.035  -0.752  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.615   0.969   0.747  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.986  -2.193   1.388  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.368  -2.753   1.368  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.689  -1.919  -0.208  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.866  -1.223   1.408  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.123   0.206  -0.310  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.869   1.619  -0.332  1.00  0.00           H  
HETATM   46  H   UNL     1       4.030  -0.684   2.774  1.00  0.00           H  
HETATM   47  H   UNL     1       4.714   1.487   3.704  1.00  0.00           H  
HETATM   48  H   UNL     1       5.066   3.417   2.236  1.00  0.00           H  
HETATM   49  H   UNL     1       4.949   4.148  -0.555  1.00  0.00           H  
HETATM   50  H   UNL     1       3.796   0.523  -2.211  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    3    1   33   34                                       
CONECT    3    4    2   35   36                                       
CONECT    4   23    5    3                                            
CONECT    5    6    4   22   22                                       
CONECT    6    7    7    5   37                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9    9                                            
CONECT    9    8    8   22   10                                       
CONECT   10    9   11   39                                            
CONECT   11   10   21   21   12                                       
CONECT   12   11   13   13   40                                       
CONECT   13   12   12   14   41                                       
CONECT   14   20   20   13   15                                       
CONECT   15   14   16   42   43                                       
CONECT   16   17   15   44                                            
CONECT   17   19   19   20   18                                       
CONECT   17   18   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   21   17   14   14                                       
CONECT   21   11   11   20   45                                       
CONECT   22    5    5    9                                            
CONECT   23   24   24   31    4                                       
CONECT   24   25   23   23   46                                       
CONECT   25   26   26   24   47                                       
CONECT   26   25   25   27   48                                       
CONECT   27   26   28   31   31                                       
CONECT   28   27   29   49                                            
CONECT   29   28   30   30                                            
CONECT   30   31   29   29   50                                       
CONECT   31   27   27   23   30                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   21                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
