COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.597   1.169  -2.965  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.207   0.566  -1.822  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.379  -0.033  -0.924  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.010  -0.034  -1.137  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.905  -0.640   0.212  1.00  0.00           C  
HETATM    6  O   UNL     1      -9.249  -0.635   0.425  1.00  0.00           O  
HETATM    7  C   UNL     1      -9.720  -1.277   1.612  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.061  -1.249   1.125  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.695  -1.255   0.908  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.168  -0.646  -0.221  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.824  -0.648  -0.429  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.016  -1.295   0.556  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.543  -1.196   0.153  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.130   0.196   0.171  1.00  0.00           O  
HETATM   15  C   UNL     1       0.145   0.457  -0.161  1.00  0.00           C  
HETATM   16  O   UNL     1       0.889  -0.447  -0.457  1.00  0.00           O  
HETATM   17  C   UNL     1       0.646   1.878  -0.164  1.00  0.00           C  
HETATM   18  C   UNL     1       1.140   2.245  -1.567  1.00  0.00           C  
HETATM   19  C   UNL     1       1.774   3.637  -1.533  1.00  0.00           C  
HETATM   20  C   UNL     1       2.976   3.628  -0.585  1.00  0.00           C  
HETATM   21  C   UNL     1       2.503   3.277   0.829  1.00  0.00           C  
HETATM   22  N   UNL     1       1.765   2.008   0.779  1.00  0.00           N  
HETATM   23  S   UNL     1       2.186   0.747   1.768  1.00  0.00           S  
HETATM   24  O   UNL     1       2.874   1.317   2.873  1.00  0.00           O  
HETATM   25  O   UNL     1       1.024  -0.059   1.907  1.00  0.00           O  
HETATM   26  C   UNL     1       3.366  -0.228   0.895  1.00  0.00           C  
HETATM   27  C   UNL     1       4.655   0.235   0.716  1.00  0.00           C  
HETATM   28  C   UNL     1       5.576  -0.537   0.031  1.00  0.00           C  
HETATM   29  S   UNL     1       7.276  -0.278  -0.384  1.00  0.00           S  
HETATM   30  C   UNL     1       7.458  -1.826  -1.225  1.00  0.00           C  
HETATM   31  O   UNL     1       8.463  -2.253  -1.763  1.00  0.00           O  
HETATM   32  N   UNL     1       6.268  -2.431  -1.150  1.00  0.00           N  
HETATM   33  C   UNL     1       5.237  -1.786  -0.492  1.00  0.00           C  
HETATM   34  C   UNL     1       3.921  -2.234  -0.298  1.00  0.00           C  
HETATM   35  C   UNL     1       3.011  -1.466   0.389  1.00  0.00           C  
HETATM   36  H   UNL     1      -6.905   1.947  -2.640  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.053   0.412  -3.529  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.368   1.610  -3.598  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.599   0.439  -2.016  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.429  -2.328   1.597  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.283  -0.792   2.485  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.806  -1.201   1.660  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.469  -1.720   2.007  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.038  -1.730   1.621  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.162  -0.811   1.521  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.303  -2.345   0.628  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.935  -1.765   0.856  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.413  -1.601  -0.851  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.160   2.551   0.130  1.00  0.00           H  
HETATM   50  H   UNL     1       1.880   1.516  -1.895  1.00  0.00           H  
HETATM   51  H   UNL     1       0.298   2.245  -2.260  1.00  0.00           H  
HETATM   52  H   UNL     1       2.104   3.911  -2.535  1.00  0.00           H  
HETATM   53  H   UNL     1       1.040   4.362  -1.181  1.00  0.00           H  
HETATM   54  H   UNL     1       3.699   2.886  -0.922  1.00  0.00           H  
HETATM   55  H   UNL     1       3.441   4.614  -0.579  1.00  0.00           H  
HETATM   56  H   UNL     1       3.366   3.172   1.487  1.00  0.00           H  
HETATM   57  H   UNL     1       1.850   4.066   1.203  1.00  0.00           H  
HETATM   58  H   UNL     1       4.944   1.198   1.111  1.00  0.00           H  
HETATM   59  H   UNL     1       6.131  -3.305  -1.548  1.00  0.00           H  
HETATM   60  H   UNL     1       3.622  -3.196  -0.689  1.00  0.00           H  
HETATM   61  H   UNL     1       2.004  -1.832   0.531  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    3                                                 
CONECT    3    4    2    5    5                                       
CONECT    4   10   10    3   39                                       
CONECT    5    3    3    8    6                                       
CONECT    6    5    7                                                 
CONECT    7    6   40   41   42                                       
CONECT    8    9    9    5   43                                       
CONECT    9   10    8    8   44                                       
CONECT   10   11    4    4    9                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   45   46                                       
CONECT   13   14   12   47   48                                       
CONECT   14   15   13                                                 
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   22   15   49                                       
CONECT   18   19   17   50   51                                       
CONECT   19   18   20   52   53                                       
CONECT   20   19   21   54   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   17   21   23                                            
CONECT   23   22   25   25   24                                       
CONECT   23   24   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   27   27   35   23                                       
CONECT   27   26   26   28   58                                       
CONECT   28   27   29   33   33                                       
CONECT   29   28   30                                                 
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   59                                            
CONECT   33   28   28   34   32                                       
CONECT   34   35   35   33   60                                       
CONECT   35   26   34   34   61                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   27                                                      
CONECT   59   32                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
