COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.395  -2.708  -1.730  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.853  -1.999  -0.482  1.00  0.00           C  
HETATM    3  N   UNL     1     -11.023  -2.219   0.075  1.00  0.00           N  
HETATM    4  C   UNL     1     -11.305  -1.551   1.143  1.00  0.00           C  
HETATM    5  S   UNL     1     -10.011  -0.513   1.555  1.00  0.00           S  
HETATM    6  C   UNL     1      -9.095  -1.086   0.163  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.739  -0.646  -0.230  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.430   0.715  -0.275  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.163   1.119  -0.641  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.762  -1.588  -0.552  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.499  -1.170  -0.917  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.200   0.180  -0.965  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.819   0.629  -1.365  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.973   0.729  -0.173  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.687   1.115  -0.289  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.230   1.381  -1.381  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.817   1.217   0.937  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.389   2.280   1.899  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.114   2.970   2.452  1.00  0.00           C  
HETATM   20  O   UNL     1       0.449   2.219   3.530  1.00  0.00           O  
HETATM   21  C   UNL     1       0.816   2.945   1.213  1.00  0.00           C  
HETATM   22  N   UNL     1       0.534   1.655   0.556  1.00  0.00           N  
HETATM   23  C   UNL     1       1.376   0.988  -0.258  1.00  0.00           C  
HETATM   24  O   UNL     1       1.008  -0.027  -0.810  1.00  0.00           O  
HETATM   25  C   UNL     1       2.774   1.504  -0.482  1.00  0.00           C  
HETATM   26  C   UNL     1       2.808   2.350  -1.756  1.00  0.00           C  
HETATM   27  C   UNL     1       2.499   1.464  -2.965  1.00  0.00           C  
HETATM   28  C   UNL     1       1.760   3.461  -1.658  1.00  0.00           C  
HETATM   29  C   UNL     1       4.196   2.971  -1.919  1.00  0.00           C  
HETATM   30  N   UNL     1       3.695   0.373  -0.622  1.00  0.00           N  
HETATM   31  C   UNL     1       5.002   0.528  -0.330  1.00  0.00           C  
HETATM   32  O   UNL     1       5.415   1.603   0.048  1.00  0.00           O  
HETATM   33  C   UNL     1       5.949  -0.636  -0.475  1.00  0.00           C  
HETATM   34  N   UNL     1       7.323  -0.137  -0.573  1.00  0.00           N  
HETATM   35  C   UNL     1       7.850   0.589   0.433  1.00  0.00           C  
HETATM   36  O   UNL     1       7.187   0.830   1.419  1.00  0.00           O  
HETATM   37  C   UNL     1       9.263   1.102   0.332  1.00  0.00           C  
HETATM   38  C   UNL     1       5.824  -1.549   0.746  1.00  0.00           C  
HETATM   39  C   UNL     1       6.679  -2.774   0.546  1.00  0.00           C  
HETATM   40  C   UNL     1       6.149  -3.895  -0.065  1.00  0.00           C  
HETATM   41  C   UNL     1       6.933  -5.018  -0.249  1.00  0.00           C  
HETATM   42  C   UNL     1       8.248  -5.021   0.179  1.00  0.00           C  
HETATM   43  C   UNL     1       8.778  -3.900   0.789  1.00  0.00           C  
HETATM   44  C   UNL     1       7.995  -2.775   0.969  1.00  0.00           C  
HETATM   45  H   UNL     1      -8.796  -3.576  -1.456  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.264  -3.033  -2.303  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.795  -2.028  -2.335  1.00  0.00           H  
HETATM   48  H   UNL     1     -12.228  -1.635   1.698  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.181   1.449  -0.023  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.923   2.172  -0.677  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.994  -2.642  -0.515  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.741  -1.898  -1.166  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.388  -0.094  -2.057  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.880   1.604  -1.849  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.338   0.516   0.700  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.766   0.250   1.437  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.011   2.994   1.360  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.952   1.807   2.704  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.327   3.993   2.761  1.00  0.00           H  
HETATM   60  H   UNL     1       1.247   2.611   3.908  1.00  0.00           H  
HETATM   61  H   UNL     1       0.578   3.772   0.544  1.00  0.00           H  
HETATM   62  H   UNL     1       1.860   2.995   1.522  1.00  0.00           H  
HETATM   63  H   UNL     1       3.076   2.115   0.369  1.00  0.00           H  
HETATM   64  H   UNL     1       1.510   1.022  -2.848  1.00  0.00           H  
HETATM   65  H   UNL     1       2.523   2.067  -3.872  1.00  0.00           H  
HETATM   66  H   UNL     1       3.245   0.672  -3.034  1.00  0.00           H  
HETATM   67  H   UNL     1       2.023   4.137  -0.844  1.00  0.00           H  
HETATM   68  H   UNL     1       1.731   4.016  -2.595  1.00  0.00           H  
HETATM   69  H   UNL     1       0.782   3.022  -1.464  1.00  0.00           H  
HETATM   70  H   UNL     1       4.942   2.179  -1.989  1.00  0.00           H  
HETATM   71  H   UNL     1       4.220   3.574  -2.827  1.00  0.00           H  
HETATM   72  H   UNL     1       4.416   3.602  -1.058  1.00  0.00           H  
HETATM   73  H   UNL     1       3.364  -0.487  -0.925  1.00  0.00           H  
HETATM   74  H   UNL     1       5.700  -1.196  -1.376  1.00  0.00           H  
HETATM   75  H   UNL     1       7.853  -0.330  -1.362  1.00  0.00           H  
HETATM   76  H   UNL     1       9.697   0.788  -0.618  1.00  0.00           H  
HETATM   77  H   UNL     1       9.260   2.190   0.387  1.00  0.00           H  
HETATM   78  H   UNL     1       9.856   0.698   1.153  1.00  0.00           H  
HETATM   79  H   UNL     1       6.157  -1.015   1.636  1.00  0.00           H  
HETATM   80  H   UNL     1       4.783  -1.849   0.870  1.00  0.00           H  
HETATM   81  H   UNL     1       5.122  -3.893  -0.400  1.00  0.00           H  
HETATM   82  H   UNL     1       6.519  -5.894  -0.726  1.00  0.00           H  
HETATM   83  H   UNL     1       8.860  -5.899   0.036  1.00  0.00           H  
HETATM   84  H   UNL     1       9.805  -3.902   1.124  1.00  0.00           H  
HETATM   85  H   UNL     1       8.410  -1.898   1.443  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    3    1    6    6                                       
CONECT    3    4    4    2                                            
CONECT    4    3    3    5   48                                       
CONECT    5    4    6                                                 
CONECT    6    2    2    5    7                                       
CONECT    7    6   10   10    8                                       
CONECT    8    7    9    9   49                                       
CONECT    9    8    8   12   50                                       
CONECT   10    7    7   11   51                                       
CONECT   11   10   12   12   52                                       
CONECT   12   11   11    9   13                                       
CONECT   13   12   14   53   54                                       
CONECT   14   13   15   55                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   18   15   22   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   18   20   21   59                                       
CONECT   20   19   60                                                 
CONECT   21   19   22   61   62                                       
CONECT   22   17   21   23                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   30   63                                       
CONECT   26   29   25   27   28                                       
CONECT   27   26   64   65   66                                       
CONECT   28   26   67   68   69                                       
CONECT   29   26   70   71   72                                       
CONECT   30   25   31   73                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   38   34   74                                       
CONECT   34   33   35   75                                            
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   76   77   78                                       
CONECT   38   33   39   79   80                                       
CONECT   39   40   38   44   44                                       
CONECT   40   41   41   39   81                                       
CONECT   41   40   40   42   82                                       
CONECT   42   41   43   43   83                                       
CONECT   43   42   42   44   84                                       
CONECT   44   39   39   43   85                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    4                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   14                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   21                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   33                                                      
CONECT   75   34                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   40                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
