COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.648   2.841   0.882  1.00  0.00           C  
HETATM    2  C   UNL     1       6.002   2.644  -0.491  1.00  0.00           C  
HETATM    3  C   UNL     1       3.449   2.154  -0.709  1.00  0.00           C  
HETATM    4  C   UNL     1       2.594   0.950  -0.398  1.00  0.00           C  
HETATM    5  C   UNL     1       1.262   0.700  -0.514  1.00  0.00           C  
HETATM    6  C   UNL     1       0.751  -0.548  -0.134  1.00  0.00           C  
HETATM    7  C   UNL     1       1.613  -1.532   0.362  1.00  0.00           C  
HETATM    8  C   UNL     1       2.950  -1.278   0.477  1.00  0.00           C  
HETATM    9  C   UNL     1       3.461  -0.032   0.098  1.00  0.00           C  
HETATM   10  C   UNL     1       4.826   0.520   0.106  1.00  0.00           C  
HETATM   11  C   UNL     1       5.115  -2.923  -0.296  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.692  -0.824  -0.257  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.773  -1.716  -0.738  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.703   2.344   0.666  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.171   3.559   1.458  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.738   3.699   0.896  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.396   2.310   0.403  1.00  0.00           C  
HETATM   18  C   UNL     1       7.008   1.988  -1.439  1.00  0.00           C  
HETATM   19  C   UNL     1       8.315   2.736  -1.709  1.00  0.00           C  
HETATM   20  C   UNL     1       8.319   1.479  -0.836  1.00  0.00           C  
HETATM   21  N   UNL     1       4.824   1.783  -0.357  1.00  0.00           N  
HETATM   22  O   UNL     1       5.815  -0.080   0.481  1.00  0.00           O  
HETATM   23  S   UNL     1       4.031  -2.521   1.102  1.00  0.00           S  
HETATM   24  O   UNL     1       4.763  -1.865   2.128  1.00  0.00           O  
HETATM   25  O   UNL     1       3.174  -3.615   1.399  1.00  0.00           O  
HETATM   26  S   UNL     1      -1.415  -2.247  -1.002  1.00  0.00           S  
HETATM   27  C   UNL     1      -2.978  -1.648  -0.656  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.161  -2.291  -0.978  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.380  -1.658  -0.755  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.565  -2.355  -0.963  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.758  -0.396  -0.317  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.538   0.244  -0.135  1.00  0.00           C  
HETATM   33  N   UNL     1      -5.400  -0.394  -0.358  1.00  0.00           N  
HETATM   34  N   UNL     1      -6.513   1.572   0.288  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.276   1.920   0.147  1.00  0.00           O  
HETATM   36  N   UNL     1      -2.898  -0.502  -0.048  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.693  -0.033   0.188  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.449   1.277   0.891  1.00  0.00           C  
HETATM   39  H   UNL     1       6.949   1.873   1.284  1.00  0.00           H  
HETATM   40  H   UNL     1       7.524   3.481   0.782  1.00  0.00           H  
HETATM   41  H   UNL     1       5.931   3.308   1.557  1.00  0.00           H  
HETATM   42  H   UNL     1       5.701   3.611  -0.893  1.00  0.00           H  
HETATM   43  H   UNL     1       3.385   2.395  -1.770  1.00  0.00           H  
HETATM   44  H   UNL     1       3.126   3.006  -0.111  1.00  0.00           H  
HETATM   45  H   UNL     1       0.599   1.462  -0.897  1.00  0.00           H  
HETATM   46  H   UNL     1       1.220  -2.494   0.655  1.00  0.00           H  
HETATM   47  H   UNL     1       5.657  -2.029  -0.604  1.00  0.00           H  
HETATM   48  H   UNL     1       5.825  -3.693   0.005  1.00  0.00           H  
HETATM   49  H   UNL     1       4.514  -3.288  -1.128  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.708  -2.235  -0.891  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.359   1.742   1.294  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.762   4.451   1.246  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.718   4.412   0.072  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.048   4.004   1.683  1.00  0.00           H  
HETATM   55  H   UNL     1       6.576   1.416  -2.261  1.00  0.00           H  
HETATM   56  H   UNL     1       8.743   2.656  -2.709  1.00  0.00           H  
HETATM   57  H   UNL     1       8.458   3.695  -1.212  1.00  0.00           H  
HETATM   58  H   UNL     1       8.464   1.611   0.236  1.00  0.00           H  
HETATM   59  H   UNL     1       8.749   0.572  -1.261  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.140  -3.183  -1.359  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.544  -3.382  -1.295  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.683   0.130  -0.134  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.319   2.067   0.151  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.302   1.512   1.528  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.549   1.200   1.502  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.235   2.676  -0.225  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.154   3.350   2.527  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2   21   18    1   42                                       
CONECT    3   21    4   43   44                                       
CONECT    4    9    3    5    5                                       
CONECT    5    4    4    6   45                                       
CONECT    6    7    7    5   12                                       
CONECT    7    8    6    6   46                                       
CONECT    8   23    9    9    7                                       
CONECT    9    8    8   10    4                                       
CONECT   10   22   22    9   21                                       
CONECT   11   23   47   48   49                                       
CONECT   12    6   26   37   37                                       
CONECT   13   31   30   30   50                                       
CONECT   14   15   34   51   66                                       
CONECT   15   16   14   52   67                                       
CONECT   16   15   17   53   54                                       
CONECT   17   16   35   35   34                                       
CONECT   18   19   20    2   55                                       
CONECT   19   20   18   56   57                                       
CONECT   20   19   18   58   59                                       
CONECT   21   10    2    3                                            
CONECT   22   10   10                                                 
CONECT   23   24   24   25   25                                       
CONECT   23   11    8                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   12   27                                                 
CONECT   27   26   28   36   36                                       
CONECT   28   29   27   60                                            
CONECT   29   33   33   30   28                                       
CONECT   30   13   13   29   61                                       
CONECT   31   32   32   13   62                                       
CONECT   32   34   31   31   33                                       
CONECT   33   32   29   29                                            
CONECT   34   17   14   32                                            
CONECT   35   17   17                                                 
CONECT   36   27   27   37                                            
CONECT   37   12   12   36   38                                       
CONECT   38   37   63   64   65                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   28                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
