COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       6.881  -0.745   0.022  1.00  0.00           S  
HETATM    2  C   UNL     1       7.874  -1.979   0.655  1.00  0.00           C  
HETATM    3  C   UNL     1       9.140  -1.565   0.765  1.00  0.00           C  
HETATM    4  C   UNL     1       9.368  -0.270   0.357  1.00  0.00           C  
HETATM    5  C   UNL     1       8.243   0.361  -0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       8.182   1.740  -0.588  1.00  0.00           C  
HETATM    7  N   UNL     1       7.016   2.305  -0.816  1.00  0.00           N  
HETATM    8  N   UNL     1       9.347   2.444  -0.816  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.539  -0.390   0.972  1.00  0.00           N  
HETATM   10  C   UNL     1       5.863   1.670  -0.444  1.00  0.00           C  
HETATM   11  C   UNL     1       5.569   1.487   0.910  1.00  0.00           C  
HETATM   12  C   UNL     1       4.406   0.847   1.280  1.00  0.00           C  
HETATM   13  C   UNL     1       3.527   0.384   0.310  1.00  0.00           C  
HETATM   14  C   UNL     1       3.815   0.563  -1.036  1.00  0.00           C  
HETATM   15  C   UNL     1       4.973   1.207  -1.416  1.00  0.00           C  
HETATM   16  O   UNL     1       2.381  -0.247   0.680  1.00  0.00           O  
HETATM   17  C   UNL     1       1.521  -0.698  -0.368  1.00  0.00           C  
HETATM   18  C   UNL     1       0.292  -1.379   0.237  1.00  0.00           C  
HETATM   19  S   UNL     1      -8.275   2.446  -0.769  1.00  0.00           S  
HETATM   20  C   UNL     1      -8.264   4.064  -0.227  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.324   4.249   0.705  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.587   3.129   1.021  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.957   2.023   0.315  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.351   0.688   0.441  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.815  -0.357  -0.333  1.00  0.00           N  
HETATM   26  N   UNL     1      -5.372   0.492   1.285  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.633  -1.911  -0.878  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.157  -1.590  -0.310  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.890  -2.770  -0.315  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.240  -3.989  -0.291  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.859  -4.037  -0.264  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.121  -2.862  -0.260  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.770  -1.637  -0.289  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.763  -2.911  -0.233  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.066  -1.670  -0.360  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.886  -1.013   1.026  1.00  0.00           C  
HETATM   37  H   UNL     1       7.526  -2.964   0.931  1.00  0.00           H  
HETATM   38  H   UNL     1       9.926  -2.200   1.147  1.00  0.00           H  
HETATM   39  H   UNL     1      10.340   0.200   0.388  1.00  0.00           H  
HETATM   40  H   UNL     1      10.206   2.027  -0.648  1.00  0.00           H  
HETATM   41  H   UNL     1       9.306   3.356  -1.144  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.176  -0.232   1.900  1.00  0.00           H  
HETATM   43  H   UNL     1       6.253   1.847   1.665  1.00  0.00           H  
HETATM   44  H   UNL     1       4.178   0.704   2.326  1.00  0.00           H  
HETATM   45  H   UNL     1       3.128   0.200  -1.787  1.00  0.00           H  
HETATM   46  H   UNL     1       5.194   1.350  -2.464  1.00  0.00           H  
HETATM   47  H   UNL     1       1.205   0.153  -0.971  1.00  0.00           H  
HETATM   48  H   UNL     1       2.057  -1.409  -0.997  1.00  0.00           H  
HETATM   49  H   UNL     1       0.595  -2.189   0.901  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.927   4.835  -0.589  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.155   5.206   1.176  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.795   3.127   1.756  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.598  -0.235  -0.893  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.001  -0.397   1.398  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.468  -1.359  -1.803  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.462  -2.976  -1.036  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.969  -2.735  -0.336  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.811  -4.905  -0.294  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.353  -4.991  -0.246  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.197  -0.722  -0.290  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.604  -1.001  -1.031  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.926  -1.766   1.812  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.650  -0.252   1.188  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3    3   37                                       
CONECT    3    2    2    4   38                                       
CONECT    4    3    5    5   39                                       
CONECT    5    1    4    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6   10                                            
CONECT    8    6   40   41                                            
CONECT    9   18   36   42                                            
CONECT   10    7   11   11   15                                       
CONECT   11   10   10   12   43                                       
CONECT   12   11   13   13   44                                       
CONECT   13   12   12   14   16                                       
CONECT   14   13   15   15   45                                       
CONECT   15   10   14   14   46                                       
CONECT   16   13   17                                                 
CONECT   17   16   18   47   48                                       
CONECT   18    9   17   27   49                                       
CONECT   19   20   23                                                 
CONECT   20   19   21   21   50                                       
CONECT   21   20   20   22   51                                       
CONECT   22   21   23   23   52                                       
CONECT   23   19   22   22   24                                       
CONECT   24   23   25   26   26                                       
CONECT   25   24   28   53                                            
CONECT   26   24   24   54                                            
CONECT   27   18   35   55   56                                       
CONECT   28   25   29   29   33                                       
CONECT   29   28   28   30   57                                       
CONECT   30   29   31   31   58                                       
CONECT   31   30   30   32   59                                       
CONECT   32   31   33   33   34                                       
CONECT   33   28   32   32   60                                       
CONECT   34   32   35                                                 
CONECT   35   27   34   36   61                                       
CONECT   36    9   35   62   63                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   33                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
