COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.923   1.449   0.647  1.00  0.00           N  
HETATM    2  C   UNL     1       6.802   0.725  -0.074  1.00  0.00           C  
HETATM    3  C   UNL     1       8.195   0.908  -0.209  1.00  0.00           C  
HETATM    4  C   UNL     1       8.934   0.061  -0.996  1.00  0.00           C  
HETATM    5  C   UNL     1       8.325  -0.987  -1.671  1.00  0.00           C  
HETATM    6  C   UNL     1       6.967  -1.184  -1.554  1.00  0.00           C  
HETATM    7  C   UNL     1       6.201  -0.335  -0.760  1.00  0.00           C  
HETATM    8  S   UNL     1       4.475  -0.317  -0.408  1.00  0.00           S  
HETATM    9  C   UNL     1       4.684   1.093   0.620  1.00  0.00           C  
HETATM   10  N   UNL     1       3.666   1.729   1.302  1.00  0.00           N  
HETATM   11  C   UNL     1       2.337   1.334   1.105  1.00  0.00           C  
HETATM   12  C   UNL     1       1.439   1.366   2.163  1.00  0.00           C  
HETATM   13  C   UNL     1       0.128   0.976   1.968  1.00  0.00           C  
HETATM   14  C   UNL     1       1.916   0.915  -0.151  1.00  0.00           C  
HETATM   15  C   UNL     1       0.606   0.525  -0.344  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.290   0.552   0.715  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.580   0.168   0.523  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.844  -1.161   0.443  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.852  -2.037   0.456  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.112  -3.333   0.379  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.415  -3.776   0.284  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.415  -2.909   0.270  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.167  -1.610   0.352  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.215  -0.696   0.338  1.00  0.00           N  
HETATM   25  C   UNL     1      -5.510  -1.381   0.226  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.642  -0.360   0.360  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.041   0.288  -0.737  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.129   1.359  -0.632  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.504   0.694  -0.742  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.598   1.752  -0.577  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.971   1.086  -0.686  1.00  0.00           C  
HETATM   32  O   UNL     1      -7.464   2.739  -1.601  1.00  0.00           O  
HETATM   33  H   UNL     1       8.682   1.720   0.310  1.00  0.00           H  
HETATM   34  H   UNL     1       9.999   0.212  -1.091  1.00  0.00           H  
HETATM   35  H   UNL     1       8.916  -1.647  -2.288  1.00  0.00           H  
HETATM   36  H   UNL     1       6.494  -2.000  -2.080  1.00  0.00           H  
HETATM   37  H   UNL     1       3.871   2.450   1.918  1.00  0.00           H  
HETATM   38  H   UNL     1       1.764   1.696   3.138  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.571   1.002   2.790  1.00  0.00           H  
HETATM   40  H   UNL     1       2.614   0.894  -0.975  1.00  0.00           H  
HETATM   41  H   UNL     1       0.278   0.200  -1.321  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.301  -4.046   0.390  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.620  -4.835   0.217  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.577  -1.873  -0.744  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.596  -2.125   1.018  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.602  -0.867   0.261  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.584   0.122   1.336  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.061   0.757  -0.646  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.115  -0.212  -1.703  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.047   1.869   0.327  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.009   2.081  -1.440  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.602   0.218  -1.717  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.501   2.225   0.400  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.069   0.612  -1.663  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.073   0.333   0.095  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.750   1.839  -0.568  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.127   3.443  -1.558  1.00  0.00           H  
CONECT    1    9    9    2                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   34                                       
CONECT    5    4    4    6   35                                       
CONECT    6    7    7    5   36                                       
CONECT    7    2    8    6    6                                       
CONECT    8    9    7                                                 
CONECT    9    1    1   10    8                                       
CONECT   10   11    9   37                                            
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11   38                                       
CONECT   13   16   12   12   39                                       
CONECT   14   15   11   11   40                                       
CONECT   15   16   16   14   41                                       
CONECT   16   17   15   15   13                                       
CONECT   17   18   16                                                 
CONECT   18   23   23   19   17                                       
CONECT   19   20   20   18                                            
CONECT   20   21   19   19   42                                       
CONECT   21   22   22   20   43                                       
CONECT   22   21   21   23                                            
CONECT   23   22   24   18   18                                       
CONECT   24   27   23   25                                            
CONECT   25   24   26   44   45                                       
CONECT   26   29   25   46   47                                       
CONECT   27   28   24   48   49                                       
CONECT   28   27   29   50   51                                       
CONECT   29   28   30   26   52                                       
CONECT   30   29   32   31   53                                       
CONECT   31   30   54   55   56                                       
CONECT   32   30   57                                                 
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37   10                                                      
CONECT   38   12                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
