COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.447  -3.040   0.556  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.685  -1.976  -0.142  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.488  -1.573   0.679  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.445  -1.841   1.861  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.648  -0.785  -0.294  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.946  -1.214   0.322  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.883  -2.761   0.278  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.139  -0.726  -0.516  1.00  0.00           C  
HETATM    9  C   UNL     1       2.921  -0.382  -0.013  1.00  0.00           C  
HETATM   10  C   UNL     1       3.157  -1.699  -0.757  1.00  0.00           C  
HETATM   11  C   UNL     1       4.448  -1.585  -1.574  1.00  0.00           C  
HETATM   12  C   UNL     1       4.989  -0.158  -1.459  1.00  0.00           C  
HETATM   13  C   UNL     1       5.253   0.172   0.011  1.00  0.00           C  
HETATM   14  C   UNL     1       1.700  -0.522   0.899  1.00  0.00           C  
HETATM   15  C   UNL     1       1.421   0.817   1.584  1.00  0.00           C  
HETATM   16  C   UNL     1       0.309   0.639   2.619  1.00  0.00           C  
HETATM   17  C   UNL     1       4.239   2.794  -0.393  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.990   1.526   0.285  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.007   1.500  -0.821  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.250   0.743  -0.360  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.451   1.233  -1.172  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.739   0.676  -0.563  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.940   1.268   0.834  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.927   1.051  -1.452  1.00  0.00           C  
HETATM   25  C   UNL     1       0.991   1.828   0.553  1.00  0.00           C  
HETATM   26  C   UNL     1       3.212   2.826   0.741  1.00  0.00           C  
HETATM   27  C   UNL     1       1.822   2.762   0.162  1.00  0.00           C  
HETATM   28  N   UNL     1       0.536  -0.914   0.100  1.00  0.00           N  
HETATM   29  O   UNL     1       4.070  -0.068   0.775  1.00  0.00           O  
HETATM   30  O   UNL     1       4.029   0.759  -1.988  1.00  0.00           O  
HETATM   31  O   UNL     1       5.416  -2.507  -1.068  1.00  0.00           O  
HETATM   32  O   UNL     1       3.281  -2.765   0.186  1.00  0.00           O  
HETATM   33  O   UNL     1      -2.048   0.425   0.134  1.00  0.00           O  
HETATM   34  S   UNL     1       5.727   1.917   0.163  1.00  0.00           S  
HETATM   35  H   UNL     1      -2.261  -3.026   1.547  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.365  -2.327  -1.124  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.840  -0.681  -1.362  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.024  -0.847   1.346  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.165  -3.132  -0.707  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.517  -3.196   1.051  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.976  -0.972  -1.566  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.054  -1.202  -0.165  1.00  0.00           H  
HETATM   43  H   UNL     1       2.745   0.416  -0.734  1.00  0.00           H  
HETATM   44  H   UNL     1       2.319  -1.896  -1.424  1.00  0.00           H  
HETATM   45  H   UNL     1       4.239  -1.813  -2.619  1.00  0.00           H  
HETATM   46  H   UNL     1       5.918  -0.075  -2.022  1.00  0.00           H  
HETATM   47  H   UNL     1       6.061  -0.457   0.385  1.00  0.00           H  
HETATM   48  H   UNL     1       1.896  -1.284   1.654  1.00  0.00           H  
HETATM   49  H   UNL     1       2.327   1.167   2.080  1.00  0.00           H  
HETATM   50  H   UNL     1       0.620  -0.093   3.365  1.00  0.00           H  
HETATM   51  H   UNL     1       0.110   1.593   3.107  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.597   0.289   2.123  1.00  0.00           H  
HETATM   53  H   UNL     1       3.813   2.278  -1.254  1.00  0.00           H  
HETATM   54  H   UNL     1       4.501   3.813  -0.675  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.448   2.471   0.254  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.499   1.436   1.245  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.282   2.521  -1.085  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.583   1.002  -1.693  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.424   0.970   0.692  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.482   2.323  -1.153  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.358   0.890  -2.202  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.667  -0.409  -0.491  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.905   0.948   1.228  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.145   0.921   1.493  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.915   2.356   0.775  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.783   0.630  -2.447  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.844   0.654  -1.018  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.998   2.136  -1.523  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.004   1.782   0.134  1.00  0.00           H  
HETATM   70  H   UNL     1       3.371   1.972   1.399  1.00  0.00           H  
HETATM   71  H   UNL     1       3.327   3.749   1.309  1.00  0.00           H  
HETATM   72  H   UNL     1       1.511   3.487  -0.575  1.00  0.00           H  
HETATM   73  H   UNL     1       0.502  -0.700  -0.845  1.00  0.00           H  
HETATM   74  H   UNL     1       3.871   0.659  -2.937  1.00  0.00           H  
HETATM   75  H   UNL     1       6.260  -2.489  -1.540  1.00  0.00           H  
HETATM   76  H   UNL     1       3.432  -3.631  -0.217  1.00  0.00           H  
CONECT    1    7    2   35                                            
CONECT    2    3    1    5   36                                       
CONECT    3    4    4   28    2                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   33   37                                       
CONECT    6    7    8    5   38                                       
CONECT    7    1    6   39   40                                       
CONECT    8    6   20   41   42                                       
CONECT    9   29   14   10   43                                       
CONECT   10   32    9   11   44                                       
CONECT   11   10   12   31   45                                       
CONECT   12   13   11   30   46                                       
CONECT   13   29   12   34   47                                       
CONECT   14   15    9   28   48                                       
CONECT   15   16   14   25   49                                       
CONECT   16   15   50   51   52                                       
CONECT   17   26   34   53   54                                       
CONECT   18   33   19   55   56                                       
CONECT   19   20   18   57   58                                       
CONECT   20    8   21   19   59                                       
CONECT   21   20   22   60   61                                       
CONECT   22   23   21   24   62                                       
CONECT   23   22   63   64   65                                       
CONECT   24   22   66   67   68                                       
CONECT   25   15   27   27   69                                       
CONECT   26   27   17   70   71                                       
CONECT   27   25   25   26   72                                       
CONECT   28   14    3   73                                            
CONECT   29    9   13                                                 
CONECT   30   12   74                                                 
CONECT   31   11   75                                                 
CONECT   32   10   76                                                 
CONECT   33   18    5                                                 
CONECT   34   13   17                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
