COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.557   1.770  -1.526  1.00  0.00           C  
HETATM    2  C   UNL     1       4.051   2.602  -0.115  1.00  0.00           C  
HETATM    3  C   UNL     1       4.210   1.429   0.506  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.332   0.969   0.774  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.463   0.255   0.436  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.395  -1.116   0.243  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.198  -1.789   0.385  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.051  -1.088   0.725  1.00  0.00           C  
HETATM    9  C   UNL     1       2.272  -1.027   1.207  1.00  0.00           C  
HETATM   10  C   UNL     1       1.265  -3.174   0.678  1.00  0.00           C  
HETATM   11  C   UNL     1       1.582  -3.467  -0.790  1.00  0.00           C  
HETATM   12  C   UNL     1       1.604  -4.933  -1.228  1.00  0.00           C  
HETATM   13  C   UNL     1       2.914  -4.152  -1.101  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.206   0.300   0.192  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.222   0.468  -2.226  1.00  0.00           C  
HETATM   16  O   UNL     1      -5.496   1.901   0.068  1.00  0.00           O  
HETATM   17  S   UNL     1      -4.045   1.113   0.244  1.00  0.00           S  
HETATM   18  O   UNL     1      -3.348   2.153  -0.846  1.00  0.00           O  
HETATM   19  N   UNL     1      -4.783  -0.372  -0.312  1.00  0.00           N  
HETATM   20  C   UNL     1      -6.140  -0.128  -0.820  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.238  -1.109  -0.404  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.118   0.303   0.921  1.00  0.00           C  
HETATM   23  C   UNL     1       1.120   1.017   1.280  1.00  0.00           C  
HETATM   24  O   UNL     1       1.116   2.219   1.461  1.00  0.00           O  
HETATM   25  N   UNL     1       1.172  -1.725   0.877  1.00  0.00           N  
HETATM   26  O   UNL     1       3.324  -1.623   1.331  1.00  0.00           O  
HETATM   27  N   UNL     1       2.259   0.301   1.404  1.00  0.00           N  
HETATM   28  C   UNL     1       3.503   0.987   1.761  1.00  0.00           C  
HETATM   29  N   UNL     1       4.786   2.752  -1.198  1.00  0.00           N  
HETATM   30  S   UNL     1       5.394   0.492  -0.402  1.00  0.00           S  
HETATM   31  C   UNL     1       6.464   1.751  -2.729  1.00  0.00           C  
HETATM   32  H   UNL     1       3.374   3.365   0.242  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.387   2.038   0.919  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.288  -1.664  -0.022  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.155  -2.857   0.233  1.00  0.00           H  
HETATM   36  H   UNL     1       0.316  -3.639   0.945  1.00  0.00           H  
HETATM   37  H   UNL     1       2.057  -3.577   1.309  1.00  0.00           H  
HETATM   38  H   UNL     1       1.213  -2.733  -1.506  1.00  0.00           H  
HETATM   39  H   UNL     1       1.394  -5.688  -0.470  1.00  0.00           H  
HETATM   40  H   UNL     1       1.251  -5.163  -2.233  1.00  0.00           H  
HETATM   41  H   UNL     1       3.422  -3.868  -2.023  1.00  0.00           H  
HETATM   42  H   UNL     1       3.565  -4.393  -0.261  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.900   0.399   1.233  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.965   1.006  -0.145  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.375   1.546  -2.156  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.293   0.268  -2.760  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.055   0.018  -2.764  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.884   2.200   0.901  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.411   1.981  -1.011  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.211  -0.820  -1.012  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.953  -1.937   0.246  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.018  -1.330  -1.133  1.00  0.00           H  
HETATM   53  H   UNL     1       4.146   0.306   2.319  1.00  0.00           H  
HETATM   54  H   UNL     1       3.274   1.857   2.376  1.00  0.00           H  
HETATM   55  H   UNL     1       7.440   2.152  -2.455  1.00  0.00           H  
HETATM   56  H   UNL     1       6.578   0.726  -3.081  1.00  0.00           H  
HETATM   57  H   UNL     1       6.030   2.361  -3.521  1.00  0.00           H  
CONECT    1   29   29   30   31                                       
CONECT    2    3    3   29   32                                       
CONECT    3    2    2   28   30                                       
CONECT    4    5    5   22   33                                       
CONECT    5    4    4    6   17                                       
CONECT    6    5    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    7   22   22   25                                       
CONECT    9   25   26   26   27                                       
CONECT   10   11   25   36   37                                       
CONECT   11   10   12   13   38                                       
CONECT   12   11   13   39   40                                       
CONECT   13   11   12   41   42                                       
CONECT   14   20   21   43   44                                       
CONECT   15   20   45   46   47                                       
CONECT   16   17   48                                                 
CONECT   17    5   16   18   19                                       
CONECT   18   17   49                                                 
CONECT   19   17   20   50                                            
CONECT   20   14   15   19   21                                       
CONECT   21   14   20   51   52                                       
CONECT   22    4    8    8   23                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23                                                 
CONECT   25    8    9   10                                            
CONECT   26    9    9                                                 
CONECT   27    9   23   28                                            
CONECT   28    3   27   53   54                                       
CONECT   29    1    1    2                                            
CONECT   30    1    3                                                 
CONECT   31    1   55   56   57                                       
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
