COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.799   2.692  -1.321  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.310   1.462  -0.567  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.839   1.493  -0.516  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.880   0.278  -1.241  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.324   0.373   0.294  1.00  0.00           N  
HETATM    6  C   UNL     1      -2.991   0.302   1.719  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.801   1.350   2.484  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.142  -1.974  -1.132  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.639  -3.018  -0.379  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.771  -3.929  -0.952  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.406  -3.795  -2.279  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.909  -2.751  -3.032  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.782  -1.844  -2.461  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.330  -0.706  -3.282  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.036  -3.163   1.067  1.00  0.00           C  
HETATM   16  C   UNL     1       2.714   2.848   0.019  1.00  0.00           C  
HETATM   17  C   UNL     1       3.326   3.796  -1.009  1.00  0.00           C  
HETATM   18  C   UNL     1       2.720   3.507  -2.386  1.00  0.00           C  
HETATM   19  C   UNL     1       1.197   3.644  -2.304  1.00  0.00           C  
HETATM   20  N   UNL     1       0.670   2.692  -1.318  1.00  0.00           N  
HETATM   21  C   UNL     1       1.194   2.975   0.025  1.00  0.00           C  
HETATM   22  C   UNL     1       3.275   3.160   1.421  1.00  0.00           C  
HETATM   23  C   UNL     1       4.411   2.117   1.577  1.00  0.00           C  
HETATM   24  N   UNL     1       3.858   0.909   0.913  1.00  0.00           N  
HETATM   25  C   UNL     1       3.128   1.400  -0.278  1.00  0.00           C  
HETATM   26  C   UNL     1       4.865   0.040   0.551  1.00  0.00           C  
HETATM   27  C   UNL     1       4.854  -1.309   0.986  1.00  0.00           C  
HETATM   28  C   UNL     1       5.917  -2.151   0.580  1.00  0.00           C  
HETATM   29  N   UNL     1       6.885  -1.640  -0.196  1.00  0.00           N  
HETATM   30  C   UNL     1       6.843  -0.383  -0.569  1.00  0.00           C  
HETATM   31  N   UNL     1       5.868   0.441  -0.218  1.00  0.00           N  
HETATM   32  C   UNL     1       3.834  -1.821   1.794  1.00  0.00           C  
HETATM   33  C   UNL     1       3.876  -3.128   2.182  1.00  0.00           C  
HETATM   34  C   UNL     1       4.920  -3.958   1.784  1.00  0.00           C  
HETATM   35  C   UNL     1       5.929  -3.489   0.996  1.00  0.00           C  
HETATM   36  O   UNL     1      -5.192   1.030   2.403  1.00  0.00           O  
HETATM   37  C   UNL     1      -7.499   1.513   2.937  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.041   1.952   3.089  1.00  0.00           C  
HETATM   39  S   UNL     1      -4.247  -0.812  -0.402  1.00  0.00           S  
HETATM   40  O   UNL     1      -4.896  -1.492   0.664  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.949  -0.198  -1.474  1.00  0.00           O  
HETATM   42  H   UNL     1      -1.161   2.664  -2.348  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.163   3.595  -0.831  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.913   1.467   0.448  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.168   2.432  -0.072  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.237   1.410  -1.528  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.155   0.230  -2.167  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.232  -0.691   2.098  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.927   0.495   1.854  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.490   1.358   3.529  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.629   2.333   2.046  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.378  -4.744  -0.363  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.728  -4.507  -2.726  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.624  -2.647  -4.069  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.286  -0.998  -3.717  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.472   0.167  -2.645  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.628  -0.462  -4.080  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.991  -3.685   1.131  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.274  -3.733   1.598  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.132  -2.175   1.519  1.00  0.00           H  
HETATM   61  H   UNL     1       3.113   4.826  -0.726  1.00  0.00           H  
HETATM   62  H   UNL     1       4.405   3.643  -1.047  1.00  0.00           H  
HETATM   63  H   UNL     1       3.111   4.219  -3.113  1.00  0.00           H  
HETATM   64  H   UNL     1       2.978   2.493  -2.693  1.00  0.00           H  
HETATM   65  H   UNL     1       0.940   4.659  -2.003  1.00  0.00           H  
HETATM   66  H   UNL     1       0.761   3.434  -3.281  1.00  0.00           H  
HETATM   67  H   UNL     1       0.774   2.264   0.736  1.00  0.00           H  
HETATM   68  H   UNL     1       0.916   3.987   0.317  1.00  0.00           H  
HETATM   69  H   UNL     1       3.673   4.174   1.460  1.00  0.00           H  
HETATM   70  H   UNL     1       2.509   3.018   2.183  1.00  0.00           H  
HETATM   71  H   UNL     1       5.315   2.455   1.070  1.00  0.00           H  
HETATM   72  H   UNL     1       4.612   1.922   2.630  1.00  0.00           H  
HETATM   73  H   UNL     1       2.244   0.788  -0.451  1.00  0.00           H  
HETATM   74  H   UNL     1       3.779   1.370  -1.152  1.00  0.00           H  
HETATM   75  H   UNL     1       7.639  -0.003  -1.193  1.00  0.00           H  
HETATM   76  H   UNL     1       3.019  -1.186   2.109  1.00  0.00           H  
HETATM   77  H   UNL     1       3.089  -3.525   2.806  1.00  0.00           H  
HETATM   78  H   UNL     1       4.931  -4.989   2.104  1.00  0.00           H  
HETATM   79  H   UNL     1       6.733  -4.145   0.695  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.147   2.217   3.460  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.763   1.493   1.880  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.625   0.518   3.362  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.776   1.973   4.147  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.915   2.948   2.664  1.00  0.00           H  
CONECT    1    2   20   42   43                                       
CONECT    2    1    4    3   44                                       
CONECT    3    2    5   45   46                                       
CONECT    4    2   47                                                 
CONECT    5    3    6   39                                            
CONECT    6    5    7   48   49                                       
CONECT    7    6   36   50   51                                       
CONECT    8   13   13    9   39                                       
CONECT    9    8   10   10   15                                       
CONECT   10    9    9   11   52                                       
CONECT   11   10   12   12   53                                       
CONECT   12   11   11   13   54                                       
CONECT   13    8    8   12   14                                       
CONECT   14   13   55   56   57                                       
CONECT   15    9   58   59   60                                       
CONECT   16   25   22   21   17                                       
CONECT   17   16   18   61   62                                       
CONECT   18   17   19   63   64                                       
CONECT   19   18   20   65   66                                       
CONECT   20    1   19   21                                            
CONECT   21   16   20   67   68                                       
CONECT   22   16   23   69   70                                       
CONECT   23   22   24   71   72                                       
CONECT   24   23   26   25                                            
CONECT   25   16   24   73   74                                       
CONECT   26   24   31   31   27                                       
CONECT   27   26   28   32   32                                       
CONECT   28   27   29   35   35                                       
CONECT   29   28   30   30                                            
CONECT   30   29   29   31   75                                       
CONECT   31   26   26   30                                            
CONECT   32   27   27   33   76                                       
CONECT   33   32   34   34   77                                       
CONECT   34   33   33   35   78                                       
CONECT   35   28   28   34   79                                       
CONECT   36    7   38                                                 
CONECT   37   38   80   81   82                                       
CONECT   38   36   37   83   84                                       
CONECT   39    5    8   41   41                                       
CONECT   39   40   40                                                 
CONECT   40   39   39                                                 
CONECT   41   39   39                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   14                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
