COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.935   3.249  -0.231  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.988   1.304  -0.551  1.00  0.00           C  
HETATM    3  C   UNL     1       0.223   1.430  -1.206  1.00  0.00           C  
HETATM    4  C   UNL     1       1.060   2.493  -0.919  1.00  0.00           C  
HETATM    5  C   UNL     1       0.687   3.432   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.528   3.308   0.681  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.365   2.241   0.392  1.00  0.00           C  
HETATM    8  C   UNL     1       0.846  -0.926   0.345  1.00  0.00           C  
HETATM    9  C   UNL     1       2.227  -1.490   0.135  1.00  0.00           C  
HETATM   10  C   UNL     1       4.458  -0.528  -0.049  1.00  0.00           C  
HETATM   11  C   UNL     1       5.486   0.510   0.323  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.850   1.143   0.027  1.00  0.00           C  
HETATM   13  C   UNL     1       6.788   0.231  -0.432  1.00  0.00           C  
HETATM   14  C   UNL     1       7.832   1.284  -0.054  1.00  0.00           C  
HETATM   15  C   UNL     1       2.411  -2.729   1.014  1.00  0.00           C  
HETATM   16  C   UNL     1       3.793  -3.334   0.760  1.00  0.00           C  
HETATM   17  C   UNL     1       2.292  -2.331   2.487  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.320  -0.166  -0.500  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.474  -1.163  -0.643  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.927  -2.493  -1.171  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.850  -3.004  -0.207  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.560  -2.142  -0.185  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.571  -1.030   0.049  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.900   0.147  -0.871  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.875  -1.928   0.018  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.323  -0.703   0.437  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.218  -1.512  -0.240  1.00  0.00           N  
HETATM   28  N   UNL     1       3.227  -0.482   0.497  1.00  0.00           N  
HETATM   29  O   UNL     1      -6.449   2.008  -0.807  1.00  0.00           O  
HETATM   30  O   UNL     1      -5.735   1.414   1.198  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.174  -3.230  -0.557  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.897   4.230   1.609  1.00  0.00           O  
HETATM   33  O   UNL     1       0.691   0.056   1.040  1.00  0.00           O  
HETATM   34  O   UNL     1       4.739  -1.403  -0.840  1.00  0.00           O  
HETATM   35  S   UNL     1       9.375   0.953  -0.948  1.00  0.00           S  
HETATM   36  H   UNL     1      -7.672   3.027   0.541  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.101   3.796   0.209  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.396   3.855  -1.010  1.00  0.00           H  
HETATM   39  H   UNL     1       0.516   0.697  -1.943  1.00  0.00           H  
HETATM   40  H   UNL     1       2.006   2.589  -1.432  1.00  0.00           H  
HETATM   41  H   UNL     1       1.341   4.262   0.247  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.311   2.142   0.903  1.00  0.00           H  
HETATM   43  H   UNL     1       2.352  -1.766  -0.912  1.00  0.00           H  
HETATM   44  H   UNL     1       5.116   1.500   0.056  1.00  0.00           H  
HETATM   45  H   UNL     1       5.672   0.468   1.396  1.00  0.00           H  
HETATM   46  H   UNL     1       7.157  -0.759  -0.165  1.00  0.00           H  
HETATM   47  H   UNL     1       6.602   0.272  -1.505  1.00  0.00           H  
HETATM   48  H   UNL     1       7.462   2.274  -0.321  1.00  0.00           H  
HETATM   49  H   UNL     1       8.018   1.243   1.019  1.00  0.00           H  
HETATM   50  H   UNL     1       1.643  -3.463   0.773  1.00  0.00           H  
HETATM   51  H   UNL     1       4.562  -2.640   1.099  1.00  0.00           H  
HETATM   52  H   UNL     1       3.884  -4.273   1.306  1.00  0.00           H  
HETATM   53  H   UNL     1       3.917  -3.521  -0.307  1.00  0.00           H  
HETATM   54  H   UNL     1       1.308  -1.900   2.668  1.00  0.00           H  
HETATM   55  H   UNL     1       2.423  -3.213   3.113  1.00  0.00           H  
HETATM   56  H   UNL     1       3.061  -1.597   2.728  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.856  -0.006  -1.472  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.941  -1.321   0.329  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.211  -0.768  -1.341  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.736  -3.221  -1.233  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.494  -2.343  -2.160  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.310  -3.285   0.740  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.347  -3.867  -0.643  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.627  -0.707   1.088  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.936   0.449  -0.718  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.757  -0.151  -1.909  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.697  -0.756   1.373  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.087  -2.253  -0.852  1.00  0.00           H  
HETATM   69  H   UNL     1       3.002   0.219   1.129  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.394   4.976   1.247  1.00  0.00           H  
HETATM   71  H   UNL     1      10.186   1.939  -0.526  1.00  0.00           H  
CONECT    1   29   36   37   38                                       
CONECT    2    7   24    3    3                                       
CONECT    3    2    2    4   39                                       
CONECT    4    5    5    3   40                                       
CONECT    5    6    4    4   41                                       
CONECT    6   32    7    7    5                                       
CONECT    7    6    6    2   42                                       
CONECT    8   33   33    9   27                                       
CONECT    9   15    8   28   43                                       
CONECT   10   28   11   34   34                                       
CONECT   11   10   13   44   45                                       
CONECT   12   30   30   18   29                                       
CONECT   13   11   14   46   47                                       
CONECT   14   13   35   48   49                                       
CONECT   15   16   17    9   50                                       
CONECT   16   15   51   52   53                                       
CONECT   17   15   54   55   56                                       
CONECT   18   26   19   12   57                                       
CONECT   19   20   18   58   59                                       
CONECT   20   21   19   60   61                                       
CONECT   21   25   20   62   63                                       
CONECT   22   31   31   25   23                                       
CONECT   23   27   22   24   64                                       
CONECT   24   23    2   65   66                                       
CONECT   25   21   22   26                                            
CONECT   26   25   18   67                                            
CONECT   27    8   23   68                                            
CONECT   28    9   10   69                                            
CONECT   29   12    1                                                 
CONECT   30   12   12                                                 
CONECT   31   22   22                                                 
CONECT   32    6   70                                                 
CONECT   33    8    8                                                 
CONECT   34   10   10                                                 
CONECT   35   14   71                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
