COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.526  -1.196   2.750  1.00  0.00           O  
HETATM    2  C   UNL     1       9.501  -0.502   1.752  1.00  0.00           C  
HETATM    3  N   UNL     1      10.394  -0.617   0.759  1.00  0.00           N  
HETATM    4  C   UNL     1      10.078   0.366  -0.288  1.00  0.00           C  
HETATM    5  N   UNL     1       8.575   0.443   1.541  1.00  0.00           N  
HETATM    6  C   UNL     1       8.837   1.092   0.247  1.00  0.00           C  
HETATM    7  C   UNL     1       7.609   0.908  -0.665  1.00  0.00           C  
HETATM    8  S   UNL     1       7.985  -0.668  -1.536  1.00  0.00           S  
HETATM    9  C   UNL     1       9.799  -0.374  -1.611  1.00  0.00           C  
HETATM   10  C   UNL     1       6.331   0.778   0.165  1.00  0.00           C  
HETATM   11  C   UNL     1       5.120   0.722  -0.768  1.00  0.00           C  
HETATM   12  C   UNL     1       3.842   0.591   0.062  1.00  0.00           C  
HETATM   13  C   UNL     1       2.631   0.535  -0.872  1.00  0.00           C  
HETATM   14  C   UNL     1       1.371   0.407  -0.054  1.00  0.00           C  
HETATM   15  O   UNL     1       1.436   0.364   1.157  1.00  0.00           O  
HETATM   16  N   UNL     1       0.173   0.340  -0.667  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.051   0.215   0.128  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.262   0.159  -0.805  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.486   0.034  -0.010  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.684  -0.034  -0.624  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.749   0.009  -1.837  1.00  0.00           O  
HETATM   22  C   UNL     1      -5.916  -0.159   0.176  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.415  -1.429   0.513  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.706  -2.651   0.066  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.402  -3.658   0.981  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.741  -4.794   0.559  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.379  -4.933  -0.769  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.677  -3.937  -1.681  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.344  -2.800  -1.272  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.579  -1.534   1.269  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.243  -0.397   1.688  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.762   0.858   1.363  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.597   0.990   0.613  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.081   2.336   0.272  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.931   3.293  -0.282  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.444   4.545  -0.597  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.115   4.852  -0.365  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.267   3.907   0.184  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.744   2.654   0.509  1.00  0.00           C  
HETATM   40  H   UNL     1      11.132  -1.247   0.736  1.00  0.00           H  
HETATM   41  H   UNL     1       7.850   0.665   2.146  1.00  0.00           H  
HETATM   42  H   UNL     1      10.903   1.068  -0.409  1.00  0.00           H  
HETATM   43  H   UNL     1       9.052   2.151   0.389  1.00  0.00           H  
HETATM   44  H   UNL     1      10.054   0.253  -2.466  1.00  0.00           H  
HETATM   45  H   UNL     1      10.342  -1.318  -1.648  1.00  0.00           H  
HETATM   46  H   UNL     1       7.528   1.732  -1.375  1.00  0.00           H  
HETATM   47  H   UNL     1       6.375  -0.135   0.758  1.00  0.00           H  
HETATM   48  H   UNL     1       6.239   1.638   0.828  1.00  0.00           H  
HETATM   49  H   UNL     1       5.076   1.635  -1.362  1.00  0.00           H  
HETATM   50  H   UNL     1       5.212  -0.138  -1.432  1.00  0.00           H  
HETATM   51  H   UNL     1       3.885  -0.322   0.655  1.00  0.00           H  
HETATM   52  H   UNL     1       3.750   1.452   0.725  1.00  0.00           H  
HETATM   53  H   UNL     1       2.587   1.449  -1.465  1.00  0.00           H  
HETATM   54  H   UNL     1       2.723  -0.325  -1.535  1.00  0.00           H  
HETATM   55  H   UNL     1       0.122   0.374  -1.635  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.007  -0.698   0.721  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.143   1.075   0.791  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.306   1.072  -1.399  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.170  -0.701  -1.469  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.434   0.000   0.958  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.965  -2.509   1.530  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.684  -3.550   2.018  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.580  -2.025  -1.986  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.506  -5.575   1.267  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.862  -5.824  -1.094  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.391  -4.051  -2.716  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.146  -0.489   2.273  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.291   1.739   1.696  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.968   3.054  -0.463  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.081   1.918   0.942  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.101   5.286  -1.026  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.738   5.833  -0.614  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.230   4.152   0.362  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   40                                            
CONECT    4    3    6    9   42                                       
CONECT    5    2    6   41                                            
CONECT    6    4    5    7   43                                       
CONECT    7    6    8   10   46                                       
CONECT    8    7    9                                                 
CONECT    9    4    8   44   45                                       
CONECT   10    7   11   47   48                                       
CONECT   11   10   12   49   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   55                                            
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   20   60                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   33   33                                       
CONECT   23   22   24   30   30                                       
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   62                                       
CONECT   26   25   25   27   64                                       
CONECT   27   26   28   28   65                                       
CONECT   28   27   27   29   66                                       
CONECT   29   24   24   28   63                                       
CONECT   30   23   23   31   61                                       
CONECT   31   30   32   32   67                                       
CONECT   32   31   31   33   68                                       
CONECT   33   22   22   32   34                                       
CONECT   34   33   35   39   39                                       
CONECT   35   34   36   36   69                                       
CONECT   36   35   35   37   71                                       
CONECT   37   36   38   38   72                                       
CONECT   38   37   37   39   73                                       
CONECT   39   34   34   38   70                                       
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    7                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   30                                                      
CONECT   62   25                                                      
CONECT   63   29                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   35                                                      
CONECT   70   39                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
