COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.710   2.921   1.634  1.00  0.00           O  
HETATM    2  C   UNL     1       0.175   2.382   0.423  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.753   1.189   0.731  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.154   1.447   0.171  1.00  0.00           C  
HETATM    5  S   UNL     1      -3.262   0.101   0.672  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.845   0.577  -0.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.904  -0.475   0.262  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.240  -0.073  -0.367  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.299  -1.125  -0.030  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.634  -0.723  -0.660  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.693  -1.775  -0.323  1.00  0.00           C  
HETATM   12  C   UNL     1       1.306   1.796  -0.449  1.00  0.00           C  
HETATM   13  N   UNL     1       1.329   0.350  -0.110  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.105  -0.018   0.019  1.00  0.00           C  
HETATM   15  C   UNL     1       1.979  -0.429  -1.172  1.00  0.00           C  
HETATM   16  C   UNL     1       3.469  -0.214  -1.112  1.00  0.00           C  
HETATM   17  C   UNL     1       4.405  -0.867  -0.203  1.00  0.00           C  
HETATM   18  N   UNL     1       4.293  -1.771   0.775  1.00  0.00           N  
HETATM   19  C   UNL     1       5.358  -2.174   1.433  1.00  0.00           C  
HETATM   20  N   UNL     1       6.569  -1.717   1.168  1.00  0.00           N  
HETATM   21  C   UNL     1       6.774  -0.816   0.212  1.00  0.00           C  
HETATM   22  N   UNL     1       8.050  -0.345  -0.054  1.00  0.00           N  
HETATM   23  C   UNL     1       5.675  -0.353  -0.519  1.00  0.00           C  
HETATM   24  N   UNL     1       5.508   0.545  -1.547  1.00  0.00           N  
HETATM   25  C   UNL     1       4.190   0.613  -1.893  1.00  0.00           C  
HETATM   26  H   UNL     1       1.301   3.674   1.502  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.368   3.152  -0.125  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.802   1.015   1.806  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.532   2.392   0.559  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.107   1.493  -0.917  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.156   1.545   0.321  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.732   0.645  -1.156  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.594  -1.442  -0.132  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.018  -0.543   1.344  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.551   0.895   0.028  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.126  -0.005  -1.448  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.988  -2.092  -0.425  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.413  -1.193   1.051  1.00  0.00           H  
HETATM   39  H   UNL     1      -9.945   0.245  -0.265  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.521  -0.655  -1.741  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.645  -1.488  -0.771  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.383  -2.742  -0.718  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.807  -1.843   0.758  1.00  0.00           H  
HETATM   44  H   UNL     1       1.081   1.935  -1.507  1.00  0.00           H  
HETATM   45  H   UNL     1       2.259   2.263  -0.199  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.213  -0.919   0.623  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.550  -0.162  -0.965  1.00  0.00           H  
HETATM   48  H   UNL     1       1.759  -1.488  -1.032  1.00  0.00           H  
HETATM   49  H   UNL     1       1.603  -0.105  -2.142  1.00  0.00           H  
HETATM   50  H   UNL     1       5.238  -2.905   2.219  1.00  0.00           H  
HETATM   51  H   UNL     1       8.804  -0.673   0.459  1.00  0.00           H  
HETATM   52  H   UNL     1       8.188   0.312  -0.754  1.00  0.00           H  
HETATM   53  H   UNL     1       6.221   1.052  -1.965  1.00  0.00           H  
HETATM   54  H   UNL     1       3.785   1.238  -2.675  1.00  0.00           H  
CONECT    1    2   26                                                 
CONECT    2    1    3   12   27                                       
CONECT    3    2   14    4   28                                       
CONECT    4    3    5   29   30                                       
CONECT    5    6    4                                                 
CONECT    6    7    5   31   32                                       
CONECT    7    8    6   33   34                                       
CONECT    8    9    7   35   36                                       
CONECT    9    8   10   37   38                                       
CONECT   10    9   11   39   40                                       
CONECT   11   10   41   42   43                                       
CONECT   12    2   13   44   45                                       
CONECT   13   14   12   15                                            
CONECT   14   13    3   46   47                                       
CONECT   15   13   16   48   49                                       
CONECT   16   15   25   25   17                                       
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   50                                       
CONECT   20   19   19   21                                            
CONECT   21   23   23   20   22                                       
CONECT   22   21   51   52                                            
CONECT   23   17   24   21   21                                       
CONECT   24   25   23   53                                            
CONECT   25   16   16   24   54                                       
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
