COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.667  -3.363  -0.976  1.00  0.00           O  
HETATM    2  C   UNL     1     -10.600  -2.848  -0.345  1.00  0.00           C  
HETATM    3  O   UNL     1     -10.434  -3.060   0.834  1.00  0.00           O  
HETATM    4  C   UNL     1      -9.609  -2.005  -1.105  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.497  -1.546  -0.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.506  -0.704  -0.920  1.00  0.00           C  
HETATM    7  O   UNL     1      -7.672  -0.491  -2.103  1.00  0.00           O  
HETATM    8  C   UNL     1      -6.381  -0.160  -0.254  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.445   0.605  -0.836  1.00  0.00           C  
HETATM   10  S   UNL     1      -6.021  -0.388   1.449  1.00  0.00           S  
HETATM   11  C   UNL     1      -4.560   0.585   1.322  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.412   1.041   0.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.292   1.851  -0.312  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.614   0.932   2.290  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.533   1.719   1.952  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.616   2.054   2.896  1.00  0.00           O  
HETATM   17  C   UNL     1      -1.834   1.557   4.218  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.382   2.175   0.642  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.200   3.037   0.282  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000   2.146  -0.045  1.00  0.00           C  
HETATM   21  C   UNL     1       1.201   3.022  -0.409  1.00  0.00           C  
HETATM   22  C   UNL     1       2.383   2.145  -0.732  1.00  0.00           C  
HETATM   23  C   UNL     1       3.293   1.860   0.235  1.00  0.00           C  
HETATM   24  C   UNL     1       4.411   1.037  -0.048  1.00  0.00           C  
HETATM   25  C   UNL     1       2.529   1.627  -2.020  1.00  0.00           C  
HETATM   26  O   UNL     1       1.607   1.916  -2.975  1.00  0.00           O  
HETATM   27  C   UNL     1       1.819   1.354  -4.271  1.00  0.00           C  
HETATM   28  C   UNL     1       3.608   0.823  -2.324  1.00  0.00           C  
HETATM   29  C   UNL     1       4.558   0.523  -1.344  1.00  0.00           C  
HETATM   30  S   UNL     1       6.017  -0.456  -1.429  1.00  0.00           S  
HETATM   31  C   UNL     1       6.385  -0.145   0.258  1.00  0.00           C  
HETATM   32  C   UNL     1       5.444   0.637   0.811  1.00  0.00           C  
HETATM   33  C   UNL     1       7.514  -0.656   0.945  1.00  0.00           C  
HETATM   34  O   UNL     1       7.685  -0.386   2.116  1.00  0.00           O  
HETATM   35  C   UNL     1       8.501  -1.536   0.222  1.00  0.00           C  
HETATM   36  C   UNL     1       9.616  -1.948   1.184  1.00  0.00           C  
HETATM   37  C   UNL     1      10.604  -2.828   0.461  1.00  0.00           C  
HETATM   38  O   UNL     1      11.673  -3.312   1.112  1.00  0.00           O  
HETATM   39  O   UNL     1      10.432  -3.097  -0.704  1.00  0.00           O  
HETATM   40  H   UNL     1     -12.274  -3.897  -0.446  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.177  -2.594  -1.914  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.115  -1.134  -1.520  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.929  -0.958   0.650  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.990  -2.418   0.256  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.485   0.868  -1.883  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.162   2.213  -1.321  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.730   0.584   3.306  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.788   1.927   4.592  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.849   0.467   4.198  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.031   1.897   4.871  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.446   3.648  -0.586  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.953   3.684   1.124  1.00  0.00           H  
HETATM   53  H   UNL     1       0.247   1.535   0.823  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.247   1.499  -0.887  1.00  0.00           H  
HETATM   55  H   UNL     1       0.955   3.633  -1.278  1.00  0.00           H  
HETATM   56  H   UNL     1       1.448   3.669   0.432  1.00  0.00           H  
HETATM   57  H   UNL     1       3.163   2.265   1.228  1.00  0.00           H  
HETATM   58  H   UNL     1       2.772   1.703  -4.668  1.00  0.00           H  
HETATM   59  H   UNL     1       1.833   0.266  -4.197  1.00  0.00           H  
HETATM   60  H   UNL     1       1.013   1.662  -4.937  1.00  0.00           H  
HETATM   61  H   UNL     1       3.718   0.425  -3.321  1.00  0.00           H  
HETATM   62  H   UNL     1       5.485   0.944   1.845  1.00  0.00           H  
HETATM   63  H   UNL     1       7.992  -2.426  -0.148  1.00  0.00           H  
HETATM   64  H   UNL     1       8.929  -0.987  -0.618  1.00  0.00           H  
HETATM   65  H   UNL     1      10.125  -1.058   1.554  1.00  0.00           H  
HETATM   66  H   UNL     1       9.188  -2.496   2.023  1.00  0.00           H  
HETATM   67  H   UNL     1      12.278  -3.872   0.606  1.00  0.00           H  
CONECT    1    2   40                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   10                                       
CONECT    9    8    8   12   45                                       
CONECT   10    8   11                                                 
CONECT   11   12   10   14   14                                       
CONECT   12    9   13   13   11                                       
CONECT   13   12   12   18   46                                       
CONECT   14   11   11   15   47                                       
CONECT   15   18   18   14   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   48   49   50                                       
CONECT   18   13   19   15   15                                       
CONECT   19   20   18   51   52                                       
CONECT   20   21   19   53   54                                       
CONECT   21   22   20   55   56                                       
CONECT   22   25   21   23   23                                       
CONECT   23   22   22   24   57                                       
CONECT   24   29   29   23   32                                       
CONECT   25   26   28   28   22                                       
CONECT   26   27   25                                                 
CONECT   27   26   58   59   60                                       
CONECT   28   25   25   29   61                                       
CONECT   29   28   30   24   24                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   33                                       
CONECT   32   24   31   31   62                                       
CONECT   33   31   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   63   64                                       
CONECT   36   35   37   65   66                                       
CONECT   37   36   39   39   38                                       
CONECT   38   37   67                                                 
CONECT   39   37   37                                                 
CONECT   40    1                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    9                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   32                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
