COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.084   2.641  -0.120  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.668  -2.499   0.101  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.716  -1.547   0.163  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.679  -0.531  -0.003  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.249   0.787  -0.091  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.892   1.053  -0.007  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.370  -1.191   0.235  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.882  -1.058  -1.469  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.081  -0.827   1.011  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.206  -0.521  -0.206  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.899  -1.164  -0.042  1.00  0.00           N  
HETATM   12  N   UNL     1      -4.392  -2.722   0.223  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.010   0.073   0.154  1.00  0.00           N  
HETATM   14  N   UNL     1      -2.444   2.370  -0.093  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.625   3.945  -0.317  1.00  0.00           C  
HETATM   16  C   UNL     1       0.739   4.168  -0.337  1.00  0.00           C  
HETATM   17  N   UNL     1       1.565   3.147  -0.169  1.00  0.00           N  
HETATM   18  C   UNL     1       1.102   1.918   0.016  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.200   1.663   0.046  1.00  0.00           N  
HETATM   20  C   UNL     1       2.061   0.803   0.199  1.00  0.00           C  
HETATM   21  C   UNL     1       1.734  -0.553   0.399  1.00  0.00           C  
HETATM   22  N   UNL     1       2.848  -1.225   0.517  1.00  0.00           N  
HETATM   23  N   UNL     1       3.921  -0.333   0.398  1.00  0.00           N  
HETATM   24  C   UNL     1       3.423   0.902   0.198  1.00  0.00           C  
HETATM   25  S   UNL     1       5.526  -0.730   0.482  1.00  0.00           S  
HETATM   26  O   UNL     1       6.160   0.463   0.924  1.00  0.00           O  
HETATM   27  O   UNL     1       5.554  -1.910   1.273  1.00  0.00           O  
HETATM   28  C   UNL     1       5.991  -1.101  -1.232  1.00  0.00           C  
HETATM   29  C   UNL     1       7.408  -1.622  -1.482  1.00  0.00           C  
HETATM   30  C   UNL     1       6.212  -2.569  -1.602  1.00  0.00           C  
HETATM   31  H   UNL     1      -6.433  -3.261   0.114  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.960   1.589  -0.222  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.619  -1.956   0.369  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.854  -0.580  -1.591  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.259  -0.840  -2.336  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.016  -2.136  -1.379  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.215  -1.905   1.101  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.599  -0.445   1.911  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.053  -0.349   0.889  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.072   0.557  -0.296  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.084   3.098  -0.135  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.320   4.760  -0.452  1.00  0.00           H  
HETATM   43  H   UNL     1       1.127   5.165  -0.487  1.00  0.00           H  
HETATM   44  H   UNL     1       0.737  -0.965   0.447  1.00  0.00           H  
HETATM   45  H   UNL     1       3.997   1.807   0.065  1.00  0.00           H  
HETATM   46  H   UNL     1       5.553  -0.451  -1.989  1.00  0.00           H  
HETATM   47  H   UNL     1       7.901  -1.315  -2.404  1.00  0.00           H  
HETATM   48  H   UNL     1       8.060  -1.742  -0.617  1.00  0.00           H  
HETATM   49  H   UNL     1       6.078  -3.312  -0.816  1.00  0.00           H  
HETATM   50  H   UNL     1       5.919  -2.885  -2.603  1.00  0.00           H  
CONECT    1   15   15   19   14                                       
CONECT    2   11   12   12   31                                       
CONECT    3    4    4    7   12                                       
CONECT    4    5   11    3    3                                       
CONECT    5    6    6    4   32                                       
CONECT    6   14    5    5   13                                       
CONECT    7   13   13    3   33                                       
CONECT    8   10   34   35   36                                       
CONECT    9   10   37   38   39                                       
CONECT   10    8    9   11   40                                       
CONECT   11   10    4    2                                            
CONECT   12    3    2    2                                            
CONECT   13    6    7    7                                            
CONECT   14    1    6   41                                            
CONECT   15   16    1    1   42                                       
CONECT   16   17   17   15   43                                       
CONECT   17   16   16   18                                            
CONECT   18   17   20   19   19                                       
CONECT   19   18   18    1                                            
CONECT   20   21   18   24   24                                       
CONECT   21   22   22   20   44                                       
CONECT   22   21   21   23                                            
CONECT   23   22   25   24                                            
CONECT   24   20   20   23   45                                       
CONECT   25   26   26   23   28                                       
CONECT   25   27   27                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   30   46                                       
CONECT   29   28   30   47   48                                       
CONECT   30   28   29   49   50                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   24                                                      
CONECT   46   28                                                      
CONECT   47   29                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
CONECT   50   30                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
