COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.525  -0.712   0.007  1.00  0.00           C  
HETATM    2  C   UNL     1       4.835  -2.198  -0.183  1.00  0.00           C  
HETATM    3  C   UNL     1       4.314  -2.986   1.020  1.00  0.00           C  
HETATM    4  C   UNL     1       2.801  -2.792   1.141  1.00  0.00           C  
HETATM    5  C   UNL     1       2.491  -1.306   1.331  1.00  0.00           C  
HETATM    6  C   UNL     1       3.012  -0.518   0.127  1.00  0.00           C  
HETATM    7  N   UNL     1       2.715   0.905   0.309  1.00  0.00           N  
HETATM    8  S   UNL     1       1.818   1.715  -0.822  1.00  0.00           S  
HETATM    9  O   UNL     1       1.657   3.040  -0.334  1.00  0.00           O  
HETATM   10  O   UNL     1       2.400   1.418  -2.084  1.00  0.00           O  
HETATM   11  C   UNL     1       0.212   0.990  -0.831  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.256   0.341  -1.941  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.517  -0.251  -2.006  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.362  -0.199  -0.913  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.872   0.465   0.208  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.614   1.060   0.303  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.287   1.681   1.520  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.203   1.665   2.539  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.454   1.060   2.430  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.819   0.448   1.243  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.958  -0.286   0.678  1.00  0.00           C  
HETATM   22  O   UNL     1      -5.005  -0.530   1.249  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.638  -0.644  -0.593  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.514  -1.394  -1.497  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.264  -2.894  -1.322  1.00  0.00           C  
HETATM   26  H   UNL     1       5.011  -0.353   0.914  1.00  0.00           H  
HETATM   27  H   UNL     1       4.896  -0.151  -0.850  1.00  0.00           H  
HETATM   28  H   UNL     1       4.350  -2.557  -1.090  1.00  0.00           H  
HETATM   29  H   UNL     1       5.913  -2.336  -0.269  1.00  0.00           H  
HETATM   30  H   UNL     1       4.535  -4.045   0.885  1.00  0.00           H  
HETATM   31  H   UNL     1       4.799  -2.627   1.928  1.00  0.00           H  
HETATM   32  H   UNL     1       2.315  -3.151   0.233  1.00  0.00           H  
HETATM   33  H   UNL     1       2.430  -3.353   1.998  1.00  0.00           H  
HETATM   34  H   UNL     1       1.413  -1.167   1.416  1.00  0.00           H  
HETATM   35  H   UNL     1       2.977  -0.946   2.238  1.00  0.00           H  
HETATM   36  H   UNL     1       2.527  -0.877  -0.780  1.00  0.00           H  
HETATM   37  H   UNL     1       3.045   1.373   1.093  1.00  0.00           H  
HETATM   38  H   UNL     1       0.383   0.284  -2.810  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.834  -0.750  -2.910  1.00  0.00           H  
HETATM   40  H   UNL     1       0.671   2.162   1.651  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.943   2.145   3.471  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.139   1.077   3.264  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.555  -1.170  -1.263  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.303  -1.109  -2.527  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.915  -3.452  -1.994  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.223  -3.118  -1.556  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.474  -3.180  -0.292  1.00  0.00           H  
CONECT    1    2    6   26   27                                       
CONECT    2    3    1   28   29                                       
CONECT    3    2    4   30   31                                       
CONECT    4    3    5   32   33                                       
CONECT    5    4    6   34   35                                       
CONECT    6    1    5    7   36                                       
CONECT    7    6    8   37                                            
CONECT    8    7    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   12   16                                       
CONECT   12   11   11   13   38                                       
CONECT   13   12   14   14   39                                       
CONECT   14   15   13   13   23                                       
CONECT   15   16   14   20   20                                       
CONECT   16   11   17   17   15                                       
CONECT   17   16   16   18   40                                       
CONECT   18   17   19   19   41                                       
CONECT   19   18   18   20   42                                       
CONECT   20   15   15   19   21                                       
CONECT   21   20   23   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   14   21   24                                            
CONECT   24   23   25   43   44                                       
CONECT   25   24   45   46   47                                       
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   24                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
