COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.546   1.147  -0.438  1.00  0.00           C  
HETATM    2  S   UNL     1       4.247   0.451   1.211  1.00  0.00           S  
HETATM    3  C   UNL     1       5.989   1.565  -0.553  1.00  0.00           C  
HETATM    4  C   UNL     1       6.934   0.667  -1.014  1.00  0.00           C  
HETATM    5  C   UNL     1       8.258   1.050  -1.120  1.00  0.00           C  
HETATM    6  C   UNL     1       8.637   2.331  -0.764  1.00  0.00           C  
HETATM    7  C   UNL     1       7.692   3.229  -0.303  1.00  0.00           C  
HETATM    8  C   UNL     1       6.368   2.847  -0.202  1.00  0.00           C  
HETATM    9  O   UNL     1       4.343   1.462   2.204  1.00  0.00           O  
HETATM   10  O   UNL     1       4.927  -0.789   1.359  1.00  0.00           O  
HETATM   11  N   UNL     1       2.643   0.038   1.200  1.00  0.00           N  
HETATM   12  C   UNL     1       2.148  -0.955   0.244  1.00  0.00           C  
HETATM   13  C   UNL     1       0.783  -0.544  -0.245  1.00  0.00           C  
HETATM   14  O   UNL     1       0.157   0.308   0.349  1.00  0.00           O  
HETATM   15  C   UNL     1       2.056  -2.320   0.928  1.00  0.00           C  
HETATM   16  C   UNL     1       1.256  -2.188   2.225  1.00  0.00           C  
HETATM   17  C   UNL     1       1.512  -3.410   3.110  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.236  -2.099   1.898  1.00  0.00           C  
HETATM   19  N   UNL     1       0.257  -1.125  -1.342  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.003  -0.741  -1.994  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.153  -0.930  -1.037  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.048  -1.703  -0.109  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.184  -1.661  -3.220  1.00  0.00           C  
HETATM   24  C   UNL     1       0.264  -2.133  -3.516  1.00  0.00           C  
HETATM   25  C   UNL     1       0.851  -2.250  -2.087  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.297  -0.240  -1.214  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.414  -0.424  -0.285  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.582   0.469  -0.708  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.749   0.277   0.263  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.917   1.170  -0.161  1.00  0.00           C  
HETATM   31  N   UNL     1      -9.034   0.986   0.769  1.00  0.00           N  
HETATM   32  C   UNL     1     -10.202   1.689   0.589  1.00  0.00           C  
HETATM   33  N   UNL     1     -10.314   2.520  -0.409  1.00  0.00           N  
HETATM   34  N   UNL     1     -11.250   1.517   1.461  1.00  0.00           N  
HETATM   35  H   UNL     1       4.324   0.396  -1.195  1.00  0.00           H  
HETATM   36  H   UNL     1       3.903   2.015  -0.587  1.00  0.00           H  
HETATM   37  H   UNL     1       6.637  -0.334  -1.292  1.00  0.00           H  
HETATM   38  H   UNL     1       8.996   0.349  -1.480  1.00  0.00           H  
HETATM   39  H   UNL     1       9.672   2.630  -0.845  1.00  0.00           H  
HETATM   40  H   UNL     1       7.989   4.229  -0.024  1.00  0.00           H  
HETATM   41  H   UNL     1       5.629   3.549   0.155  1.00  0.00           H  
HETATM   42  H   UNL     1       2.032   0.454   1.828  1.00  0.00           H  
HETATM   43  H   UNL     1       2.833  -1.018  -0.602  1.00  0.00           H  
HETATM   44  H   UNL     1       1.557  -3.026   0.264  1.00  0.00           H  
HETATM   45  H   UNL     1       3.059  -2.682   1.155  1.00  0.00           H  
HETATM   46  H   UNL     1       1.566  -1.286   2.753  1.00  0.00           H  
HETATM   47  H   UNL     1       2.575  -3.473   3.343  1.00  0.00           H  
HETATM   48  H   UNL     1       0.942  -3.315   4.034  1.00  0.00           H  
HETATM   49  H   UNL     1       1.202  -4.312   2.582  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.488  -2.847   1.146  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.818  -2.282   2.801  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.465  -1.106   1.513  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.954   0.300  -2.312  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.824  -2.508  -2.975  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.588  -1.102  -4.064  1.00  0.00           H  
HETATM   56  H   UNL     1       0.805  -1.390  -4.102  1.00  0.00           H  
HETATM   57  H   UNL     1       0.264  -3.100  -4.018  1.00  0.00           H  
HETATM   58  H   UNL     1       1.937  -2.155  -2.115  1.00  0.00           H  
HETATM   59  H   UNL     1       0.563  -3.198  -1.635  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.381   0.378  -1.957  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.097  -0.154   0.723  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.731  -1.467  -0.299  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.899   0.199  -1.715  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.266   1.512  -0.694  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.432   0.547   1.270  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.065  -0.766   0.249  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.234   0.900  -1.168  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.601   2.213  -0.147  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.950   0.368   1.512  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.575   2.642  -1.025  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.074   2.013   1.334  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.166   0.899   2.204  1.00  0.00           H  
CONECT    1    2    3   35   36                                       
CONECT    2   11    9    9   10                                       
CONECT    2   10    1                                                 
CONECT    3    1    4    4    8                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4    6    6   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   40                                       
CONECT    8    3    7    7   41                                       
CONECT    9    2    2                                                 
CONECT   10    2    2                                                 
CONECT   11   12    2   42                                            
CONECT   12   13   11   15   43                                       
CONECT   13   19   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   44   45                                       
CONECT   16   15   18   17   46                                       
CONECT   17   16   47   48   49                                       
CONECT   18   16   50   51   52                                       
CONECT   19   20   13   25                                            
CONECT   20   21   19   23   53                                       
CONECT   21   26   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   54   55                                       
CONECT   24   25   23   56   57                                       
CONECT   25   19   24   58   59                                       
CONECT   26   27   21   60                                            
CONECT   27   28   26   61   62                                       
CONECT   28   29   27   63   64                                       
CONECT   29   30   28   65   66                                       
CONECT   30   31   29   67   68                                       
CONECT   31   32   30   69                                            
CONECT   32   33   33   34   31                                       
CONECT   33   32   32   70                                            
CONECT   34   32   71   72                                            
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
