COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.747   1.021  -0.279  1.00  0.00           N  
HETATM    2  C   UNL     1      -0.200  -0.871  -0.346  1.00  0.00           C  
HETATM    3  C   UNL     1       2.226  -1.066  -0.667  1.00  0.00           C  
HETATM    4  C   UNL     1       3.191  -1.871   0.102  1.00  0.00           C  
HETATM    5  C   UNL     1       3.851  -2.943  -0.504  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.070   0.626  -0.735  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.038   0.393  -2.521  1.00  0.00           O  
HETATM    8  S   UNL     1      -1.612   1.242  -1.464  1.00  0.00           S  
HETATM    9  O   UNL     1       5.897  -4.125   2.259  1.00  0.00           O  
HETATM   10  C   UNL     1       0.888  -1.536  -1.245  1.00  0.00           C  
HETATM   11  O   UNL     1       6.583   3.684   0.243  1.00  0.00           O  
HETATM   12  O   UNL     1       0.805  -0.702  -2.450  1.00  0.00           O  
HETATM   13  O   UNL     1      -5.995  -3.452  -0.361  1.00  0.00           O  
HETATM   14  O   UNL     1      -1.554   2.652  -1.635  1.00  0.00           O  
HETATM   15  C   UNL     1       4.753  -3.693   0.219  1.00  0.00           C  
HETATM   16  C   UNL     1       5.007  -3.384   1.549  1.00  0.00           C  
HETATM   17  C   UNL     1       4.354  -2.319   2.156  1.00  0.00           C  
HETATM   18  C   UNL     1       3.454  -1.560   1.440  1.00  0.00           C  
HETATM   19  C   UNL     1       2.339   0.244  -1.006  1.00  0.00           C  
HETATM   20  C   UNL     1       3.454   1.151  -0.681  1.00  0.00           C  
HETATM   21  C   UNL     1       3.245   2.244   0.164  1.00  0.00           C  
HETATM   22  C   UNL     1       4.292   3.086   0.469  1.00  0.00           C  
HETATM   23  C   UNL     1       5.554   2.850  -0.061  1.00  0.00           C  
HETATM   24  C   UNL     1       5.766   1.765  -0.902  1.00  0.00           C  
HETATM   25  C   UNL     1       4.726   0.917  -1.212  1.00  0.00           C  
HETATM   26  C   UNL     1       1.073   0.585  -1.796  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.895   2.014   0.788  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.555   1.371   2.134  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.709   2.408   3.248  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.152   2.915   3.276  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.493   3.558   1.930  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.339   2.521   0.816  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.569  -0.112  -0.300  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.423  -1.094   0.670  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.234  -2.211   0.649  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.195  -2.352  -0.341  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.789  -4.422   0.668  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.342  -1.371  -1.311  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.535  -0.251  -1.288  1.00  0.00           C  
HETATM   40  H   UNL     1       0.024  -1.020   0.711  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.192  -1.252  -0.589  1.00  0.00           H  
HETATM   42  H   UNL     1       3.654  -3.185  -1.538  1.00  0.00           H  
HETATM   43  H   UNL     1       0.220   1.228   0.126  1.00  0.00           H  
HETATM   44  H   UNL     1       6.806  -3.798   2.214  1.00  0.00           H  
HETATM   45  H   UNL     1       0.788  -2.612  -1.389  1.00  0.00           H  
HETATM   46  H   UNL     1       7.081   3.423   1.030  1.00  0.00           H  
HETATM   47  H   UNL     1       5.263  -4.522  -0.249  1.00  0.00           H  
HETATM   48  H   UNL     1       4.555  -2.082   3.191  1.00  0.00           H  
HETATM   49  H   UNL     1       2.950  -0.730   1.911  1.00  0.00           H  
HETATM   50  H   UNL     1       2.264   2.429   0.576  1.00  0.00           H  
HETATM   51  H   UNL     1       4.131   3.932   1.122  1.00  0.00           H  
HETATM   52  H   UNL     1       6.749   1.586  -1.312  1.00  0.00           H  
HETATM   53  H   UNL     1       4.893   0.071  -1.862  1.00  0.00           H  
HETATM   54  H   UNL     1       1.135   1.451  -2.455  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.220   2.849   0.603  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.230   0.535   2.319  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.526   1.010   2.114  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.466   1.950   4.207  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.034   3.243   3.063  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.828   2.079   3.461  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.263   3.654   4.070  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.522   3.919   1.950  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.818   4.393   1.745  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.581   2.979  -0.143  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.014   1.686   1.001  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.674  -0.985   1.441  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.120  -2.976   1.404  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.768  -4.800   0.613  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.952  -3.960   1.642  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.489  -5.247   0.536  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.090  -1.482  -2.082  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.649   0.513  -2.043  1.00  0.00           H  
CONECT    1   33    8   27                                            
CONECT    2    6   10   40   41                                       
CONECT    3   19   19   10    4                                       
CONECT    4    3   18   18    5                                       
CONECT    5    4   15   15   42                                       
CONECT    6   26    8    2   43                                       
CONECT    7    8    8                                                 
CONECT    8    7    7    1    6                                       
CONECT    8   14   14                                                 
CONECT    9   16   44                                                 
CONECT   10   12    3    2   45                                       
CONECT   11   23   46                                                 
CONECT   12   26   10                                                 
CONECT   13   37   36                                                 
CONECT   14    8    8                                                 
CONECT   15    5    5   16   47                                       
CONECT   16   17   17   15    9                                       
CONECT   17   18   16   16   48                                       
CONECT   18    4    4   17   49                                       
CONECT   19   26   20    3    3                                       
CONECT   20   21   21   25   19                                       
CONECT   21   22   20   20   50                                       
CONECT   22   23   23   21   51                                       
CONECT   23   11   22   22   24                                       
CONECT   24   23   25   25   52                                       
CONECT   25   24   24   20   53                                       
CONECT   26   12    6   19   54                                       
CONECT   27    1   32   28   55                                       
CONECT   28   27   29   56   57                                       
CONECT   29   28   30   58   59                                       
CONECT   30   31   29   60   61                                       
CONECT   31   32   30   62   63                                       
CONECT   32   27   31   64   65                                       
CONECT   33   39   39   34    1                                       
CONECT   34   35   35   33   66                                       
CONECT   35   36   34   34   67                                       
CONECT   36   13   38   38   35                                       
CONECT   37   13   68   69   70                                       
CONECT   38   36   36   39   71                                       
CONECT   39   38   33   33   72                                       
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
