COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.927  -1.788  -0.997  1.00  0.00           O  
HETATM    2  C   UNL     1       0.885  -0.752  -0.363  1.00  0.00           C  
HETATM    3  C   UNL     1       2.089   0.100  -0.257  1.00  0.00           C  
HETATM    4  C   UNL     1       3.278  -0.278  -0.879  1.00  0.00           C  
HETATM    5  C   UNL     1       4.406   0.523  -0.776  1.00  0.00           C  
HETATM    6  C   UNL     1       4.372   1.720  -0.078  1.00  0.00           C  
HETATM    7  C   UNL     1       5.521   2.688   0.056  1.00  0.00           C  
HETATM    8  C   UNL     1       6.433   2.682  -1.171  1.00  0.00           C  
HETATM    9  C   UNL     1       7.661   1.772  -0.890  1.00  0.00           C  
HETATM   10  S   UNL     1       6.995   0.139  -0.457  1.00  0.00           S  
HETATM   11  O   UNL     1       7.800  -0.899  -1.000  1.00  0.00           O  
HETATM   12  O   UNL     1       6.563   0.109   0.896  1.00  0.00           O  
HETATM   13  N   UNL     1       5.598   0.099  -1.348  1.00  0.00           N  
HETATM   14  C   UNL     1       5.621  -0.382  -2.732  1.00  0.00           C  
HETATM   15  C   UNL     1       2.049   1.294   0.463  1.00  0.00           C  
HETATM   16  C   UNL     1       3.177   2.088   0.554  1.00  0.00           C  
HETATM   17  N   UNL     1       3.122   3.279   1.283  1.00  0.00           N  
HETATM   18  C   UNL     1       1.879   3.674   1.948  1.00  0.00           C  
HETATM   19  C   UNL     1       2.088   5.007   2.670  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.262  -0.375   0.237  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.457  -1.215   0.126  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.419  -2.300   1.205  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.257  -3.224   0.949  1.00  0.00           C  
HETATM   24  C   UNL     1       0.979  -2.952   1.506  1.00  0.00           C  
HETATM   25  C   UNL     1       2.045  -3.800   1.271  1.00  0.00           C  
HETATM   26  C   UNL     1       1.876  -4.919   0.478  1.00  0.00           C  
HETATM   27  C   UNL     1       0.640  -5.192  -0.079  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.427  -4.347   0.160  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.706  -0.352   0.314  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.731   0.167   1.645  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.954  -1.204   0.075  1.00  0.00           C  
HETATM   32  N   UNL     1      -5.148  -0.350   0.137  1.00  0.00           N  
HETATM   33  C   UNL     1      -6.369  -1.136  -0.089  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.570  -0.229  -0.018  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.035   0.391  -1.162  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.141   1.226  -1.097  1.00  0.00           C  
HETATM   37  O   UNL     1      -9.601   1.837  -2.220  1.00  0.00           O  
HETATM   38  C   UNL     1     -10.744   2.682  -2.078  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.778   1.436   0.118  1.00  0.00           C  
HETATM   40  C   UNL     1      -9.309   0.814   1.259  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.210  -0.022   1.190  1.00  0.00           C  
HETATM   42  H   UNL     1      -0.295   0.452   0.743  1.00  0.00           H  
HETATM   43  H   UNL     1       3.322  -1.198  -1.443  1.00  0.00           H  
HETATM   44  H   UNL     1       1.136   1.597   0.954  1.00  0.00           H  
HETATM   45  H   UNL     1       5.122   3.693   0.194  1.00  0.00           H  
HETATM   46  H   UNL     1       6.108   2.419   0.934  1.00  0.00           H  
HETATM   47  H   UNL     1       5.885   2.298  -2.031  1.00  0.00           H  
HETATM   48  H   UNL     1       6.772   3.697  -1.378  1.00  0.00           H  
HETATM   49  H   UNL     1       8.284   1.698  -1.782  1.00  0.00           H  
HETATM   50  H   UNL     1       8.242   2.172  -0.059  1.00  0.00           H  
HETATM   51  H   UNL     1       5.809   0.455  -3.405  1.00  0.00           H  
HETATM   52  H   UNL     1       6.411  -1.124  -2.846  1.00  0.00           H  
HETATM   53  H   UNL     1       4.659  -0.834  -2.975  1.00  0.00           H  
HETATM   54  H   UNL     1       3.908   3.843   1.348  1.00  0.00           H  
HETATM   55  H   UNL     1       1.088   3.784   1.205  1.00  0.00           H  
HETATM   56  H   UNL     1       1.594   2.910   2.671  1.00  0.00           H  
HETATM   57  H   UNL     1       2.878   4.897   3.412  1.00  0.00           H  
HETATM   58  H   UNL     1       2.372   5.771   1.947  1.00  0.00           H  
HETATM   59  H   UNL     1       1.163   5.301   3.165  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.482  -1.683  -0.858  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.304  -1.834   2.184  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.348  -2.869   1.180  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.687   0.473  -0.398  1.00  0.00           H  
HETATM   64  H   UNL     1       1.111  -2.077   2.125  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.394  -4.562  -0.272  1.00  0.00           H  
HETATM   66  H   UNL     1       3.010  -3.587   1.706  1.00  0.00           H  
HETATM   67  H   UNL     1       2.709  -5.581   0.294  1.00  0.00           H  
HETATM   68  H   UNL     1       0.508  -6.067  -0.698  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.748  -0.513   2.332  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.893  -1.672  -0.908  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.020  -1.976   0.841  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.194   0.145   1.014  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.324  -1.603  -1.072  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.451  -1.908   0.677  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.537   0.227  -2.106  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.848  -0.511   2.082  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.639   2.086   0.172  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.582   2.099  -1.699  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.515   3.487  -1.380  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.005   3.106  -3.048  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.805   0.977   2.205  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   20                                       
CONECT    3    2    4   15   15                                       
CONECT    4    3    5    5   43                                       
CONECT    5    4    4    6   13                                       
CONECT    6    5    7   16   16                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   11   12                                       
CONECT   10   12   13                                                 
CONECT   11   10   10                                                 
CONECT   12   10   10                                                 
CONECT   13    5   10   14                                            
CONECT   14   13   51   52   53                                       
CONECT   15    3    3   16   44                                       
CONECT   16    6    6   15   17                                       
CONECT   17   16   18   54                                            
CONECT   18   17   19   55   56                                       
CONECT   19   18   57   58   59                                       
CONECT   20    2   21   42                                            
CONECT   21   20   22   29   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   22   24   28   28                                       
CONECT   24   23   25   25   64                                       
CONECT   25   24   24   26   66                                       
CONECT   26   25   27   27   67                                       
CONECT   27   26   26   28   68                                       
CONECT   28   23   23   27   65                                       
CONECT   29   21   30   31   63                                       
CONECT   30   29   69                                                 
CONECT   31   29   32   70   71                                       
CONECT   32   31   33   72                                            
CONECT   33   32   34   73   74                                       
CONECT   34   33   35   41   41                                       
CONECT   35   34   36   36   75                                       
CONECT   36   35   35   37   39                                       
CONECT   37   36   38                                                 
CONECT   38   37   78   79   80                                       
CONECT   39   36   40   40   77                                       
CONECT   40   39   39   41   81                                       
CONECT   41   34   34   40   76                                       
CONECT   42   20                                                      
CONECT   43    4                                                      
CONECT   44   15                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   29                                                      
CONECT   64   24                                                      
CONECT   65   28                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   30                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   41                                                      
CONECT   77   39                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
