COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.871  -1.218   0.562  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.968  -0.022   0.422  1.00  0.00           C  
HETATM    3  C   UNL     1       0.270   0.838   0.405  1.00  0.00           C  
HETATM    4  C   UNL     1       1.507  -0.045   0.584  1.00  0.00           C  
HETATM    5  C   UNL     1       2.763   0.828   0.567  1.00  0.00           C  
HETATM    6  C   UNL     1       4.000  -0.055   0.746  1.00  0.00           C  
HETATM    7  C   UNL     1       5.256   0.818   0.729  1.00  0.00           C  
HETATM    8  S   UNL     1       5.590   1.448  -0.967  1.00  0.00           S  
HETATM    9  C   UNL     1       7.404   1.613  -0.715  1.00  0.00           C  
HETATM   10  C   UNL     1       7.728   0.426   0.213  1.00  0.00           C  
HETATM   11  N   UNL     1       8.062  -0.751  -0.604  1.00  0.00           N  
HETATM   12  C   UNL     1       6.511  -0.024   1.031  1.00  0.00           C  
HETATM   13  N   UNL     1       6.281  -1.410   0.594  1.00  0.00           N  
HETATM   14  C   UNL     1       7.198  -1.737  -0.326  1.00  0.00           C  
HETATM   15  O   UNL     1       7.242  -2.828  -0.860  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.296   0.595   0.261  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.401   2.059   0.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.549   2.688   0.092  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.790   1.906  -0.045  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.967   2.466  -0.188  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.175   1.624  -0.319  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.070   0.317  -0.292  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.235  -0.577  -0.417  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.055  -1.880  -0.382  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.732  -2.496  -0.221  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.640  -1.777  -0.101  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.744  -0.307  -0.131  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.677   0.436  -0.015  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.315  -2.400   0.060  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.237  -1.649   0.178  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.348  -0.181   0.142  1.00  0.00           C  
HETATM   32  H   UNL     1       0.334   1.364  -0.547  1.00  0.00           H  
HETATM   33  H   UNL     1       0.220   1.562   1.218  1.00  0.00           H  
HETATM   34  H   UNL     1       1.443  -0.571   1.536  1.00  0.00           H  
HETATM   35  H   UNL     1       1.556  -0.770  -0.229  1.00  0.00           H  
HETATM   36  H   UNL     1       2.827   1.354  -0.385  1.00  0.00           H  
HETATM   37  H   UNL     1       2.713   1.552   1.380  1.00  0.00           H  
HETATM   38  H   UNL     1       3.936  -0.581   1.698  1.00  0.00           H  
HETATM   39  H   UNL     1       4.050  -0.779  -0.067  1.00  0.00           H  
HETATM   40  H   UNL     1       5.163   1.641   1.438  1.00  0.00           H  
HETATM   41  H   UNL     1       7.936   1.519  -1.662  1.00  0.00           H  
HETATM   42  H   UNL     1       7.643   2.559  -0.230  1.00  0.00           H  
HETATM   43  H   UNL     1       8.559   0.677   0.871  1.00  0.00           H  
HETATM   44  H   UNL     1       8.791  -0.805  -1.242  1.00  0.00           H  
HETATM   45  H   UNL     1       6.740   0.008   2.096  1.00  0.00           H  
HETATM   46  H   UNL     1       5.578  -1.994   0.920  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.499   2.645   0.331  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.580   3.768   0.076  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.054   3.542  -0.209  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.145   2.086  -0.437  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.227  -0.166  -0.537  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.917  -2.523  -0.475  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.655  -3.573  -0.199  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.226  -3.476   0.083  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.269  -2.112   0.297  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   16    1    1                                       
CONECT    3    4    2   32   33                                       
CONECT    4    3    5   34   35                                       
CONECT    5    4    6   36   37                                       
CONECT    6    5    7   38   39                                       
CONECT    7    6    8   12   40                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   41   42                                       
CONECT   10   12    9   11   43                                       
CONECT   11   14   10   44                                            
CONECT   12   13    7   10   45                                       
CONECT   13   14   12   46                                            
CONECT   14   13   15   15   11                                       
CONECT   15   14   14                                                 
CONECT   16   17    2   31   31                                       
CONECT   17   18   18   16   47                                       
CONECT   18   17   17   19   48                                       
CONECT   19   18   20   20   28                                       
CONECT   20   19   19   21   49                                       
CONECT   21   20   22   22   50                                       
CONECT   22   21   21   27   23                                       
CONECT   23   22   24   24   51                                       
CONECT   24   23   23   25   52                                       
CONECT   25   26   26   24   53                                       
CONECT   26   27   29   25   25                                       
CONECT   27   28   28   22   26                                       
CONECT   28   19   31   27   27                                       
CONECT   29   30   30   26   54                                       
CONECT   30   31   29   29   55                                       
CONECT   31   16   16   28   30                                       
CONECT   32    3                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
