COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.050   0.269   0.007  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.801  -0.615   0.010  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.570   0.255   0.006  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.901  -0.347   0.006  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.446  -0.042   0.004  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.250   0.804   0.000  1.00  0.00           C  
HETATM    7  C   UNL     1       1.248   0.804  -0.002  1.00  0.00           C  
HETATM    8  C   UNL     1       3.669   0.521  -0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       8.569   0.252  -0.003  1.00  0.00           C  
HETATM   10  C   UNL     1       9.799  -0.618  -0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      14.672  -0.869  -0.002  1.00  0.00           C  
HETATM   12  C   UNL     1      16.937  -1.263   0.694  1.00  0.00           C  
HETATM   13  C   UNL     1     -15.819  -0.462  -0.681  1.00  0.00           C  
HETATM   14  C   UNL     1     -16.941  -1.260  -0.675  1.00  0.00           C  
HETATM   15  C   UNL     1     -16.937  -2.464   0.020  1.00  0.00           C  
HETATM   16  O   UNL     1     -18.045  -3.247   0.024  1.00  0.00           O  
HETATM   17  C   UNL     1     -15.801  -2.867   0.712  1.00  0.00           C  
HETATM   18  C   UNL     1     -14.674  -2.075   0.711  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.674  -0.864   0.014  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.470  -0.013   0.010  1.00  0.00           C  
HETATM   21  S   UNL     1     -13.627   1.692   0.003  1.00  0.00           S  
HETATM   22  N   UNL     1     -12.246  -0.577   0.011  1.00  0.00           N  
HETATM   23  S   UNL     1      -8.717   1.847   0.000  1.00  0.00           S  
HETATM   24  N   UNL     1      -7.346  -0.309   0.007  1.00  0.00           N  
HETATM   25  C   UNL     1      -6.150   0.536   0.004  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.670   0.523   0.002  1.00  0.00           C  
HETATM   27  S   UNL     1      -3.817   2.115  -0.004  1.00  0.00           S  
HETATM   28  C   UNL     1      -0.001  -0.079   0.002  1.00  0.00           C  
HETATM   29  N   UNL     1       2.444  -0.042   0.001  1.00  0.00           N  
HETATM   30  S   UNL     1       3.816   2.114  -0.008  1.00  0.00           S  
HETATM   31  C   UNL     1       4.899  -0.349   0.001  1.00  0.00           C  
HETATM   32  C   UNL     1       6.148   0.534  -0.003  1.00  0.00           C  
HETATM   33  N   UNL     1       7.344  -0.312  -0.001  1.00  0.00           N  
HETATM   34  S   UNL     1       8.716   1.844  -0.009  1.00  0.00           S  
HETATM   35  C   UNL     1      11.048   0.265  -0.005  1.00  0.00           C  
HETATM   36  N   UNL     1      12.244  -0.581  -0.002  1.00  0.00           N  
HETATM   37  C   UNL     1      13.469  -0.017  -0.005  1.00  0.00           C  
HETATM   38  S   UNL     1      13.626   1.687  -0.012  1.00  0.00           S  
HETATM   39  C   UNL     1      14.674  -2.082  -0.696  1.00  0.00           C  
HETATM   40  C   UNL     1      15.800  -2.874  -0.691  1.00  0.00           C  
HETATM   41  C   UNL     1      16.934  -2.469   0.003  1.00  0.00           C  
HETATM   42  O   UNL     1      18.042  -3.253   0.006  1.00  0.00           O  
HETATM   43  C   UNL     1      15.817  -0.462   0.689  1.00  0.00           C  
HETATM   44  H   UNL     1     -11.050   0.901   0.895  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.050   0.894  -0.885  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.801  -1.241   0.902  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.802  -1.248  -0.878  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.900  -0.973   0.899  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.902  -0.980  -0.881  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.358  -1.008   0.007  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.250   1.430  -0.892  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.249   1.437   0.887  1.00  0.00           H  
HETATM   53  H   UNL     1       1.248   1.430  -0.894  1.00  0.00           H  
HETATM   54  H   UNL     1       1.249   1.436   0.886  1.00  0.00           H  
HETATM   55  H   UNL     1       9.799  -1.244   0.892  1.00  0.00           H  
HETATM   56  H   UNL     1       9.798  -1.251  -0.888  1.00  0.00           H  
HETATM   57  H   UNL     1      17.822  -0.950   1.228  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.821   0.471  -1.225  1.00  0.00           H  
HETATM   59  H   UNL     1     -17.826  -0.951  -1.212  1.00  0.00           H  
HETATM   60  H   UNL     1     -18.074  -3.891  -0.697  1.00  0.00           H  
HETATM   61  H   UNL     1     -15.802  -3.803   1.251  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.792  -2.390   1.249  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.158  -1.543   0.015  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.258  -1.275   0.011  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.149   1.169   0.891  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.150   1.162  -0.889  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.001  -0.705   0.895  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.002  -0.712  -0.885  1.00  0.00           H  
HETATM   69  H   UNL     1       2.355  -1.008   0.005  1.00  0.00           H  
HETATM   70  H   UNL     1       4.899  -0.975   0.893  1.00  0.00           H  
HETATM   71  H   UNL     1       4.898  -0.982  -0.887  1.00  0.00           H  
HETATM   72  H   UNL     1       6.148   1.160  -0.896  1.00  0.00           H  
HETATM   73  H   UNL     1       6.149   1.167   0.884  1.00  0.00           H  
HETATM   74  H   UNL     1       7.255  -1.278   0.003  1.00  0.00           H  
HETATM   75  H   UNL     1      11.048   0.891  -0.897  1.00  0.00           H  
HETATM   76  H   UNL     1      11.049   0.898   0.883  1.00  0.00           H  
HETATM   77  H   UNL     1      12.155  -1.547   0.002  1.00  0.00           H  
HETATM   78  H   UNL     1      13.793  -2.398  -1.235  1.00  0.00           H  
HETATM   79  H   UNL     1      15.802  -3.812  -1.227  1.00  0.00           H  
HETATM   80  H   UNL     1      18.658  -3.067  -0.716  1.00  0.00           H  
HETATM   81  H   UNL     1      15.821   0.477   1.222  1.00  0.00           H  
CONECT    1    2   22   44   45                                       
CONECT    2    3    1   46   47                                       
CONECT    3   24    2   23   23                                       
CONECT    4   25   26   48   49                                       
CONECT    5    6   26   50                                            
CONECT    6   28    5   51   52                                       
CONECT    7   29   28   53   54                                       
CONECT    8   30   30   31   29                                       
CONECT    9   34   34   10   33                                       
CONECT   10   35    9   55   56                                       
CONECT   11   39   37   43   43                                       
CONECT   12   41   41   43   57                                       
CONECT   13   14   14   19   58                                       
CONECT   14   13   13   15   59                                       
CONECT   15   14   16   17   17                                       
CONECT   16   15   60                                                 
CONECT   17   15   15   18   61                                       
CONECT   18   19   19   17   62                                       
CONECT   19   13   20   18   18                                       
CONECT   20   21   21   19   22                                       
CONECT   21   20   20                                                 
CONECT   22   20    1   63                                            
CONECT   23    3    3                                                 
CONECT   24   25    3   64                                            
CONECT   25   24    4   65   66                                       
CONECT   26    5   27   27    4                                       
CONECT   27   26   26                                                 
CONECT   28    7    6   67   68                                       
CONECT   29    8    7   69                                            
CONECT   30    8    8                                                 
CONECT   31   32    8   70   71                                       
CONECT   32   33   31   72   73                                       
CONECT   33    9   32   74                                            
CONECT   34    9    9                                                 
CONECT   35   36   10   75   76                                       
CONECT   36   37   35   77                                            
CONECT   37   38   38   11   36                                       
CONECT   38   37   37                                                 
CONECT   39   40   40   11   78                                       
CONECT   40   39   39   41   79                                       
CONECT   41   40   42   12   12                                       
CONECT   42   41   80                                                 
CONECT   43   11   11   12   81                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    7                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   31                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
