COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.939   0.730   2.384  1.00  0.00           C  
HETATM    2  C   UNL     1       5.063   1.664   1.547  1.00  0.00           C  
HETATM    3  C   UNL     1       5.950   2.511   0.632  1.00  0.00           C  
HETATM    4  N   UNL     1       4.141   0.869   0.733  1.00  0.00           N  
HETATM    5  C   UNL     1       2.776   1.107   0.799  1.00  0.00           C  
HETATM    6  C   UNL     1       2.286   2.239   1.454  1.00  0.00           C  
HETATM    7  C   UNL     1       0.919   2.436   1.495  1.00  0.00           C  
HETATM    8  N   UNL     1       0.119   1.552   0.916  1.00  0.00           N  
HETATM    9  C   UNL     1       0.613   0.487   0.302  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.257  -0.414  -0.291  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.627  -0.139  -0.332  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.546  -1.176  -0.249  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.905  -0.899  -0.290  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.342   0.415  -0.415  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.424   1.444  -0.498  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.070   1.172  -0.451  1.00  0.00           C  
HETATM   17  S   UNL     1      -3.981   3.108  -0.656  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.912   3.776  -1.312  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.259   2.993  -1.268  1.00  0.00           O  
HETATM   20  C   UNL     1      -4.145   3.695   1.053  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.834  -1.939  -0.208  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.159  -3.239  -0.082  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.208  -4.352  -0.055  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.123  -4.112   1.018  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.799  -2.855   0.927  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.765  -1.726   0.910  1.00  0.00           C  
HETATM   27  N   UNL     1       1.917   0.264   0.236  1.00  0.00           N  
HETATM   28  C   UNL     1       4.636  -0.130  -0.111  1.00  0.00           C  
HETATM   29  C   UNL     1       4.786  -1.428   0.361  1.00  0.00           C  
HETATM   30  C   UNL     1       5.275  -2.412  -0.475  1.00  0.00           C  
HETATM   31  C   UNL     1       5.438  -3.820   0.035  1.00  0.00           C  
HETATM   32  O   UNL     1       4.234  -4.554  -0.199  1.00  0.00           O  
HETATM   33  C   UNL     1       5.615  -2.107  -1.781  1.00  0.00           C  
HETATM   34  C   UNL     1       5.467  -0.815  -2.253  1.00  0.00           C  
HETATM   35  C   UNL     1       4.973   0.172  -1.423  1.00  0.00           C  
HETATM   36  C   UNL     1       4.806   1.578  -1.941  1.00  0.00           C  
HETATM   37  H   UNL     1       6.626   1.321   2.990  1.00  0.00           H  
HETATM   38  H   UNL     1       5.307   0.126   3.036  1.00  0.00           H  
HETATM   39  H   UNL     1       6.509   0.076   1.723  1.00  0.00           H  
HETATM   40  H   UNL     1       4.494   2.318   2.208  1.00  0.00           H  
HETATM   41  H   UNL     1       6.520   1.857  -0.029  1.00  0.00           H  
HETATM   42  H   UNL     1       5.326   3.177   0.036  1.00  0.00           H  
HETATM   43  H   UNL     1       6.637   3.103   1.238  1.00  0.00           H  
HETATM   44  H   UNL     1       2.960   2.944   1.918  1.00  0.00           H  
HETATM   45  H   UNL     1       0.507   3.300   1.993  1.00  0.00           H  
HETATM   46  H   UNL     1       0.085  -1.235  -0.678  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.204  -2.196  -0.153  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.355   1.980  -0.511  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.399   0.632  -0.447  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.178   3.636   1.552  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.490   4.729   1.051  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.866   3.073   1.583  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.493  -3.387  -0.933  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.580  -3.261   0.841  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.213  -1.724   1.849  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.273  -0.770   0.783  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.751  -4.365  -1.000  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.716  -5.313   0.095  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.388  -2.823   0.010  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.457  -2.732   1.787  1.00  0.00           H  
HETATM   61  H   UNL     1       4.520  -1.667   1.380  1.00  0.00           H  
HETATM   62  H   UNL     1       6.265  -4.303  -0.487  1.00  0.00           H  
HETATM   63  H   UNL     1       5.648  -3.797   1.105  1.00  0.00           H  
HETATM   64  H   UNL     1       5.997  -2.878  -2.432  1.00  0.00           H  
HETATM   65  H   UNL     1       4.268  -5.472   0.106  1.00  0.00           H  
HETATM   66  H   UNL     1       5.735  -0.580  -3.272  1.00  0.00           H  
HETATM   67  H   UNL     1       5.724   2.140  -1.768  1.00  0.00           H  
HETATM   68  H   UNL     1       4.594   1.549  -3.010  1.00  0.00           H  
HETATM   69  H   UNL     1       3.980   2.061  -1.419  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3    4   40                                       
CONECT    3    2   41   42   43                                       
CONECT    4    2    5   28                                            
CONECT    5    4    6    6   27                                       
CONECT    6    5    5    7   44                                       
CONECT    7    6    8    8   45                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   27   27                                       
CONECT   10    9   11   46                                            
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   47                                       
CONECT   13   12   12   14   21                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   17                                       
CONECT   16   11   11   15   48                                       
CONECT   17   15   18   18   19                                       
CONECT   17   19   20                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   50   51   52                                       
CONECT   21   13   22   26                                            
CONECT   22   21   23   53   54                                       
CONECT   23   22   24   57   58                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   59   60                                       
CONECT   26   21   25   55   56                                       
CONECT   27    5    9    9                                            
CONECT   28    4   29   35   35                                       
CONECT   29   28   30   30   61                                       
CONECT   30   29   29   31   33                                       
CONECT   31   30   32   62   63                                       
CONECT   32   31   65                                                 
CONECT   33   30   34   34   64                                       
CONECT   34   33   33   35   66                                       
CONECT   35   28   28   34   36                                       
CONECT   36   35   67   68   69                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   16                                                      
CONECT   49   14                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
