COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.195  -0.398   1.905  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.954  -0.485   2.502  1.00  0.00           C  
HETATM    3  C   UNL     1       0.192  -0.297   1.753  1.00  0.00           C  
HETATM    4  C   UNL     1       0.101  -0.019   0.394  1.00  0.00           C  
HETATM    5  C   UNL     1       2.380   0.645   0.228  1.00  0.00           C  
HETATM    6  C   UNL     1       4.506   2.448   1.186  1.00  0.00           C  
HETATM    7  C   UNL     1       3.089   3.414  -0.490  1.00  0.00           C  
HETATM    8  C   UNL     1       3.318   2.232  -1.435  1.00  0.00           C  
HETATM    9  C   UNL     1       4.124  -1.326  -0.901  1.00  0.00           C  
HETATM   10  C   UNL     1       3.929  -1.494   0.462  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.303  -0.235   0.304  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.918  -0.095  -0.172  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.815  -0.216   0.597  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.630  -0.037  -0.103  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.790   0.224  -1.416  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.296  -0.125   0.542  1.00  0.00           C  
HETATM   17  C   UNL     1       3.591   0.972  -0.607  1.00  0.00           C  
HETATM   18  C   UNL     1       4.793   1.227   0.309  1.00  0.00           C  
HETATM   19  C   UNL     1       4.174  -2.721   1.048  1.00  0.00           C  
HETATM   20  C   UNL     1       4.614  -3.781   0.276  1.00  0.00           C  
HETATM   21  C   UNL     1       4.810  -3.616  -1.082  1.00  0.00           C  
HETATM   22  C   UNL     1       4.566  -2.391  -1.673  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.143   0.070  -0.213  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.354  -0.095  -0.580  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.539  -0.492   1.563  1.00  0.00           N  
HETATM   26  N   UNL     1       1.264   0.171  -0.361  1.00  0.00           N  
HETATM   27  O   UNL     1       2.409   0.809   1.429  1.00  0.00           O  
HETATM   28  O   UNL     1       4.231   3.577   0.354  1.00  0.00           O  
HETATM   29  O   UNL     1       3.879  -0.121  -1.480  1.00  0.00           O  
HETATM   30  S   UNL     1      -5.445   0.249  -1.829  1.00  0.00           S  
HETATM   31  H   UNL     1      -3.089  -0.545   2.493  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.878  -0.701   3.557  1.00  0.00           H  
HETATM   33  H   UNL     1       1.162  -0.366   2.224  1.00  0.00           H  
HETATM   34  H   UNL     1       3.644   2.245   1.821  1.00  0.00           H  
HETATM   35  H   UNL     1       5.375   2.659   1.810  1.00  0.00           H  
HETATM   36  H   UNL     1       2.937   4.322  -1.074  1.00  0.00           H  
HETATM   37  H   UNL     1       2.208   3.224   0.123  1.00  0.00           H  
HETATM   38  H   UNL     1       2.431   2.079  -2.049  1.00  0.00           H  
HETATM   39  H   UNL     1       4.175   2.439  -2.076  1.00  0.00           H  
HETATM   40  H   UNL     1       3.586  -0.666   1.065  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.851  -0.431   1.655  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.981   0.391  -2.111  1.00  0.00           H  
HETATM   43  H   UNL     1       5.679   1.413  -0.297  1.00  0.00           H  
HETATM   44  H   UNL     1       4.960   0.355   0.941  1.00  0.00           H  
HETATM   45  H   UNL     1       4.022  -2.852   2.109  1.00  0.00           H  
HETATM   46  H   UNL     1       4.805  -4.739   0.736  1.00  0.00           H  
HETATM   47  H   UNL     1       5.154  -4.445  -1.683  1.00  0.00           H  
HETATM   48  H   UNL     1       4.719  -2.262  -2.734  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.216   0.286  -1.268  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.179   0.096  -1.515  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.452  -0.585   1.876  1.00  0.00           H  
HETATM   52  H   UNL     1       1.267  -0.038  -1.308  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.267  -0.187  -0.266  1.00  0.00           H  
CONECT    1    2    2   16   31                                       
CONECT    2    3    1    1   32                                       
CONECT    3    4    4    2   33                                       
CONECT    4   26    3    3   23                                       
CONECT    5   17   27   27   26                                       
CONECT    6   28   18   34   35                                       
CONECT    7   28    8   36   37                                       
CONECT    8    7   17   38   39                                       
CONECT    9   10   29   22   22                                       
CONECT   10   19   19    9   40                                       
CONECT   11   25   25   12   24                                       
CONECT   12   13   13   11   30                                       
CONECT   13   14   12   12   41                                       
CONECT   14   16   13   15   15                                       
CONECT   15   14   14   30   42                                       
CONECT   16   23   23    1   14                                       
CONECT   17   18    8   29    5                                       
CONECT   18    6   17   43   44                                       
CONECT   19   10   10   20   45                                       
CONECT   20   19   21   21   46                                       
CONECT   21   20   20   22   47                                       
CONECT   22    9    9   21   48                                       
CONECT   23    4   16   16   49                                       
CONECT   24   11   50   53                                            
CONECT   25   11   11   51                                            
CONECT   26    5    4   52                                            
CONECT   27    5    5                                                 
CONECT   28    6    7                                                 
CONECT   29   17    9                                                 
CONECT   30   12   15                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   15                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   24                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
