COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.842   6.165   3.885  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.751   5.029   2.864  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.083   4.883   4.233  1.00  0.00           C  
HETATM    4  N   UNL     1      -1.966   4.242   2.615  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.836   3.680   1.264  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.074   2.844   0.937  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.884   2.158  -0.417  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.708   1.287  -0.363  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.481   1.796  -0.594  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.352   2.978  -0.847  1.00  0.00           O  
HETATM   11  O   UNL     1      -4.222   3.693   0.884  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.123   1.322  -0.744  1.00  0.00           C  
HETATM   13  C   UNL     1       0.707   0.917  -0.539  1.00  0.00           C  
HETATM   14  C   UNL     1       0.558  -0.439  -0.254  1.00  0.00           C  
HETATM   15  C   UNL     1       1.680  -1.263  -0.197  1.00  0.00           C  
HETATM   16  C   UNL     1       2.948  -0.730  -0.437  1.00  0.00           C  
HETATM   17  C   UNL     1       3.092   0.619  -0.726  1.00  0.00           C  
HETATM   18  C   UNL     1       1.977   1.443  -0.778  1.00  0.00           C  
HETATM   19  C   UNL     1       1.528  -2.701   0.112  1.00  0.00           C  
HETATM   20  N   UNL     1       4.363   1.149  -0.966  1.00  0.00           N  
HETATM   21  O   UNL     1       2.507  -3.420   0.157  1.00  0.00           O  
HETATM   22  C   UNL     1       4.510   2.360  -1.777  1.00  0.00           C  
HETATM   23  S   UNL     1       5.702   0.409  -0.332  1.00  0.00           S  
HETATM   24  C   UNL     1       6.176  -0.768  -1.629  1.00  0.00           C  
HETATM   25  O   UNL     1       6.633   1.477  -0.229  1.00  0.00           O  
HETATM   26  O   UNL     1       5.183  -0.254   0.813  1.00  0.00           O  
HETATM   27  C   UNL     1      -3.393  -0.488  -2.311  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.270  -1.017  -3.582  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.744  -0.312  -4.673  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.341   0.922  -4.492  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.468   1.448  -3.220  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.989   0.746  -2.130  1.00  0.00           C  
HETATM   33  N   UNL     1       0.303  -3.214   0.344  1.00  0.00           N  
HETATM   34  C   UNL     1       0.153  -4.639   0.650  1.00  0.00           C  
HETATM   35  C   UNL     1       0.079  -5.436  -0.654  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.113  -4.851   1.440  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.129  -5.750   2.491  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.289  -5.945   3.216  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.434  -5.241   2.891  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.418  -4.342   1.841  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.256  -4.144   1.119  1.00  0.00           C  
HETATM   42  H   UNL     1      -0.253   7.062   3.693  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.804   6.329   4.371  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.102   5.178   2.001  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.546   4.203   4.949  1.00  0.00           H  
HETATM   46  H   UNL     1       1.005   4.937   4.271  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.734   4.896   2.584  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.948   3.049   1.217  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.743   4.490   0.541  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.217   2.088   1.710  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.742   2.913  -1.190  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.811   0.344  -0.161  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.056   4.345   0.190  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.215   0.511  -0.021  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.011   1.953  -0.697  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.424  -0.849  -0.069  1.00  0.00           H  
HETATM   57  H   UNL     1       3.818  -1.369  -0.397  1.00  0.00           H  
HETATM   58  H   UNL     1       2.092   2.493  -1.003  1.00  0.00           H  
HETATM   59  H   UNL     1       3.527   2.700  -2.104  1.00  0.00           H  
HETATM   60  H   UNL     1       4.986   3.140  -1.183  1.00  0.00           H  
HETATM   61  H   UNL     1       5.127   2.140  -2.649  1.00  0.00           H  
HETATM   62  H   UNL     1       6.394  -0.226  -2.549  1.00  0.00           H  
HETATM   63  H   UNL     1       7.061  -1.319  -1.313  1.00  0.00           H  
HETATM   64  H   UNL     1       5.356  -1.465  -1.803  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.023  -1.039  -1.459  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.804  -1.981  -3.724  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.647  -0.724  -5.666  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.711   1.473  -5.344  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.934   2.412  -3.078  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.478  -2.640   0.308  1.00  0.00           H  
HETATM   71  H   UNL     1       1.008  -4.977   1.235  1.00  0.00           H  
HETATM   72  H   UNL     1       0.994  -5.282  -1.226  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.033  -6.496  -0.426  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.776  -5.097  -1.239  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.234  -6.300   2.744  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.302  -6.648   4.036  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.341  -5.394   3.457  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.312  -3.792   1.587  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.243  -3.441   0.299  1.00  0.00           H  
CONECT    1    2    3   42   43                                       
CONECT    2    1    3    4   44                                       
CONECT    3    1    2   45   46                                       
CONECT    4    2    5   47                                            
CONECT    5    4    6   48   49                                       
CONECT    6    5    7   11   50                                       
CONECT    7    6    8   12   51                                       
CONECT    8    7    9   52                                            
CONECT    9    8   10   10   13                                       
CONECT   10    9    9                                                 
CONECT   11    6   53                                                 
CONECT   12    7   32   54   55                                       
CONECT   13    9   14   18   18                                       
CONECT   14   13   15   15   56                                       
CONECT   15   14   14   16   19                                       
CONECT   16   15   17   17   57                                       
CONECT   17   16   16   18   20                                       
CONECT   18   13   13   17   58                                       
CONECT   19   15   21   21   33                                       
CONECT   20   17   22   23                                            
CONECT   21   19   19                                                 
CONECT   22   20   59   60   61                                       
CONECT   23   20   24   25   25                                       
CONECT   23   26   26                                                 
CONECT   24   23   62   63   64                                       
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27   28   28   32   65                                       
CONECT   28   27   27   29   66                                       
CONECT   29   28   30   30   67                                       
CONECT   30   29   29   31   68                                       
CONECT   31   30   32   32   69                                       
CONECT   32   12   27   31   31                                       
CONECT   33   19   34   70                                            
CONECT   34   33   35   36   71                                       
CONECT   35   34   72   73   74                                       
CONECT   36   34   37   41   41                                       
CONECT   37   36   38   38   75                                       
CONECT   38   37   37   39   76                                       
CONECT   39   38   40   40   77                                       
CONECT   40   39   39   41   78                                       
CONECT   41   36   36   40   79                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   27                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
