COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.997  -1.142  -0.733  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.127  -1.674  -0.150  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.013  -2.543   0.927  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.130  -3.066   1.497  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.760  -2.880   1.423  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.624  -2.354   0.848  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.734  -1.479  -0.237  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.523  -0.913  -0.856  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.151   0.391  -0.880  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.875   1.531  -0.292  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.041   1.618   1.093  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.720   2.687   1.638  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.239   3.676   0.813  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.908   4.727   1.354  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.077   3.594  -0.564  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.395   2.533  -1.118  1.00  0.00           C  
HETATM   17  C   UNL     1       0.177   0.436  -1.642  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.015  -0.670  -2.588  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.424  -1.678  -1.598  1.00  0.00           C  
HETATM   20  C   UNL     1       0.802  -1.668  -0.633  1.00  0.00           C  
HETATM   21  C   UNL     1       1.227  -0.182  -0.667  1.00  0.00           C  
HETATM   22  S   UNL     1       2.908   0.001  -1.325  1.00  0.00           S  
HETATM   23  O   UNL     1       3.080  -0.804  -2.483  1.00  0.00           O  
HETATM   24  O   UNL     1       3.301   1.366  -1.316  1.00  0.00           O  
HETATM   25  O   UNL     1       3.798  -0.653  -0.277  1.00  0.00           O  
HETATM   26  C   UNL     1       3.969   0.127   0.908  1.00  0.00           C  
HETATM   27  C   UNL     1       4.009  -0.787   2.096  1.00  0.00           C  
HETATM   28  C   UNL     1       5.115  -1.137   2.678  1.00  0.00           C  
HETATM   29  C   UNL     1       6.461  -0.659   2.221  1.00  0.00           C  
HETATM   30  C   UNL     1       6.340   0.575   1.378  1.00  0.00           C  
HETATM   31  C   UNL     1       5.234   0.923   0.794  1.00  0.00           C  
HETATM   32  H   UNL     1      -4.087  -0.470  -1.573  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.104  -1.415  -0.532  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.417  -3.902   1.106  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.676  -3.556   2.261  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.651  -2.616   1.234  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.638   0.849   1.735  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.848   2.755   2.708  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.343   5.482   1.573  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.483   4.366  -1.202  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.266   2.472  -2.189  1.00  0.00           H  
HETATM   42  H   UNL     1       0.436   1.399  -2.081  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.713  -2.650  -1.999  1.00  0.00           H  
HETATM   44  H   UNL     1       0.508  -1.968   0.373  1.00  0.00           H  
HETATM   45  H   UNL     1       1.600  -2.308  -1.010  1.00  0.00           H  
HETATM   46  H   UNL     1       1.147   0.264   0.324  1.00  0.00           H  
HETATM   47  H   UNL     1       3.077  -1.172   2.483  1.00  0.00           H  
HETATM   48  H   UNL     1       5.064  -1.799   3.530  1.00  0.00           H  
HETATM   49  H   UNL     1       7.077  -0.437   3.093  1.00  0.00           H  
HETATM   50  H   UNL     1       6.940  -1.445   1.638  1.00  0.00           H  
HETATM   51  H   UNL     1       7.211   1.200   1.250  1.00  0.00           H  
HETATM   52  H   UNL     1       5.225   1.826   0.202  1.00  0.00           H  
HETATM   53  H   UNL     1       3.126   0.810   1.011  1.00  0.00           H  
CONECT    1    2    2    7   32                                       
CONECT    2    1    1    3   33                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   34                                                 
CONECT    5    3    3    6   35                                       
CONECT    6    5    7    7   36                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9    9   19                                       
CONECT    9    8    8   10   17                                       
CONECT   10    9   11   11   16                                       
CONECT   11   10   10   12   37                                       
CONECT   12   11   13   13   38                                       
CONECT   13   12   12   14   15                                       
CONECT   14   13   39                                                 
CONECT   15   13   16   16   40                                       
CONECT   16   10   15   15   41                                       
CONECT   17    9   18   21   42                                       
CONECT   18   17   19                                                 
CONECT   19    8   18   20   43                                       
CONECT   20   19   21   44   45                                       
CONECT   21   17   20   22   46                                       
CONECT   22   21   23   23   24                                       
CONECT   22   24   25                                                 
CONECT   23   22   22                                                 
CONECT   24   22   22                                                 
CONECT   25   22   26                                                 
CONECT   26   25   27   31   53                                       
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   29   48                                       
CONECT   29   28   30   49   50                                       
CONECT   30   29   31   31   51                                       
CONECT   31   26   30   30   52                                       
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   26                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
